data_5jtl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5jtl _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.523 0.201 . . . . 99.99 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 99.99 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.879 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 34.4 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' HG23 ' B' ' 122' ' ' THR . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.582 HG22 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 17.02 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 50.99 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 18.45 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 13.15 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HB2' ' HE2' ' A' ' 117' ' ' MET . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 6.92 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 22.19 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 43.73 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 63.88 112.029 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 73.6 109.026 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 99.99 107.497 169.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.561 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 50.91 109.947 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 67.81 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 99.99 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 81.17 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 51' ' ' LEU . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.754 ' HB2' HD12 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.23 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 75.11 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 32.98 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 27.21 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.634 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 28.74 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 35.81 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 19.33 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 29.68 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 25.47 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 80.58 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 99.99 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 40.21 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 30.66 109.093 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 59.79 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 30.86 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 20.96 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 21.28 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 80.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.772 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 110.668 -0.123 . . . . 99.99 110.668 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 99.99 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 99.99 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 79.06 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.449 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 59.39 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 99.99 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 83.34 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 42.55 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 17.98 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 13.2 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 36.0 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 15.85 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 19.0 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 5.43 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.496 HG23 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 18.83 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 22.63 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 6.65 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.457 ' HE2' ' HB2' ' A' ' 23' ' ' PHE . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 88.83 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 51.92 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 39.96 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 11.33 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.403 HG21 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 32.89 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 19.39 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 30.18 113.881 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.624 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 90.79 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 93.81 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 77.99 110.964 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.682 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 85.02 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.278 -0.267 . . . . 99.99 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 61.13 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 99.99 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.403 HH21 HG21 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 99.99 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 22.84 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 25.35 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 18.25 109.889 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.434 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 41.37 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.7 HD12 ' SG ' ' B' ' 113' ' ' CYS . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 15.07 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 29.37 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 11.41 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 27.88 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 51.27 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.544 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 99.99 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.471 HG22 HD11 ' B' ' 126' ' ' LEU . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 99.89 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.585 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 99.99 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 99.99 109.687 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 89.58 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 50.34 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 99.99 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 44.59 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 98.19 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.437 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 93.17 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 98.7 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.498 ' HE2' ' HB1' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 99.99 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 85.08 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 32.75 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 89.85 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 99.99 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 30.69 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 50.25 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.449 HG22 HD12 ' B' ' 114' ' ' ILE . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 27.1 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 27.69 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 28.91 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 82.69 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 84.99 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 91.81 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 39.53 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 37.29 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 21.12 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 29.86 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 13.61 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 13.23 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 36.68 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.427 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 12.8 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.437 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 51.05 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 99.99 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 99.23 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 99.99 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' B' ' 91' ' ' GLY . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 99.37 112.195 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 67.76 113.519 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 81.59 111.091 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.409 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 55.65 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 48.03 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 99.99 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 59.06 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 27.15 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 18.14 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 25.24 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 18.19 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 76.84 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 21' ' ' ILE . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 28.75 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.449 ' O ' HG21 ' B' ' 118' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 30.1 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 17.12 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.81 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 50.71 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 23.64 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 49.99 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.504 HG23 ' HB3' ' A' ' 17' ' ' TYR . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 33.79 111.001 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 28.26 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 39.05 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.471 HD11 HG22 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 99.99 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 99.99 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 99.99 112.573 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 64.44 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 75.43 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.99 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.468 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.122 -0.325 . . . . 99.99 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 82.71 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 99.99 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 17.72 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.452 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' THR . . . . . 0.411 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 9.52 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 51.3 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 13.13 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 15.89 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 10.19 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.658 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 26.52 108.467 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 43.6 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 57.64 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.522 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 78.76 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.431 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 99.99 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 72.29 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 99.99 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 99.99 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.51 HD21 HD13 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 99.99 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.689 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 90.89 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 55.92 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 78.18 110.618 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 57.25 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' C' ' 56' ' ' TYR . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 99.99 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 97.58 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' C' ' 50' ' ' GLN . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.457 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 43.88 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 30.1 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.621 HD22 HD13 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 99.67 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 31.81 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.79 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 29.1 108.016 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 36.6 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 38.08 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 65.72 110.838 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 99.99 109.448 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 83.21 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 40.89 110.295 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 38.89 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 66.65 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 32.91 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 14.84 109.35 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 26.52 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 12.17 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 39.17 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.477 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.554 HG21 ' HG ' ' C' ' 97' ' ' CYS . 36.3 pt . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.554 ' HG ' HG21 ' C' ' 86' ' ' ILE . 42.1 t . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.431 HD13 ' N ' ' C' ' 99' ' ' GLY . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . 0.431 ' N ' HD13 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 81.7 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 68.22 111.463 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.475 ' O ' HG12 ' C' ' 105' ' ' ILE . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 85.73 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 52.77 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 18.22 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.621 HD13 HD22 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 62.78 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 20.21 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . 0.446 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 17.97 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 10.09 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 18.56 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.879 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 31.03 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 26.09 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.55 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 21.24 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 14.3 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 10.17 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.588 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 12.08 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 54.79 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 23.93 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.436 HG21 ' HB3' ' D' ' 17' ' ' TYR . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 27.3 110.524 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 36.76 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 44.0 111.648 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.475 HD23 HG23 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 92.07 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 43.42 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 64.09 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.429 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 45.54 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.531 ' HG3' HD13 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 40.22 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 98.11 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.572 ' HD2' HG23 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 79.57 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 99.99 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.448 HD11 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 81.0 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.436 ' HB3' HG21 ' C' ' 122' ' ' THR . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 28.79 111.174 -168.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 14.92 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 58.5 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.588 HG21 ' HE1' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 14.63 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 15.53 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 6.05 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 14.28 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 16.78 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 22.87 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.413 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 21.13 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 30.2 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 64.18 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.643 ' HZ3' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 34.41 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' D' ' 124' ' ' PRO . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 54.02 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 34.31 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.479 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 83.42 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 99.99 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 97.22 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 99.99 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 62.54 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 55.71 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 61.91 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 93.38 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 99.99 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 99.99 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.577 ' HB3' HD21 ' D' ' 98' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 71.26 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 36.06 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 79.92 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.786 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 22.5 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 23.18 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.501 HG22 HG21 ' D' ' 114' ' ' ILE . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 24.43 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 32.61 108.354 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 25.12 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.482 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 49.15 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 32.34 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 33.15 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.643 ' HG2' ' HZ3' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 19.1 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.482 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 12.32 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 8.66 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 19.44 107.52 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.486 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 10.02 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.786 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 29.4 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.3 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 65.32 107.807 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 99.99 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.572 HG23 ' HD2' ' D' ' 11' ' ' PHE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 99.99 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 99.99 112.096 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.623 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 70.12 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 64.46 110.928 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 46.86 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 45.41 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.601 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 38.42 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 87.71 109.281 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' D' ' 102' ' ' CYS . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 35.35 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' D' ' 103' ' ' PRO . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 21.86 111.963 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 12.38 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 8.42 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 15.0 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 17.35 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 12.17 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.56 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.501 HG21 HG22 ' D' ' 64' ' ' VAL . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 19.17 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 19.58 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 14.23 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.486 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 6.04 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 19.19 109.596 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 16.36 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 7.12 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 35.79 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 27.88 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 17.97 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 33.77 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 99.99 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.455 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 35.86 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 48.78 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 48.18 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 95.86 109.304 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . 0.505 ' HB3' HD23 ' D' ' 44' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.664 -0.865 . . . . 99.99 108.664 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.522 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HB3' HG21 ' A' ' 83' ' ' ILE . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 99.99 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 34.4 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' B' ' 122' ' ' THR . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 17.02 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 50.99 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.617 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 18.45 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 13.15 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 6.92 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 22.19 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 43.73 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.4 m-20 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 63.88 112.378 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 73.6 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 50.91 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 67.81 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 99.99 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 81.17 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.23 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG13 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 75.11 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.492 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 32.98 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 27.21 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 28.74 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 35.81 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.422 HG22 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 19.33 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.57 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 29.68 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 25.47 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 80.58 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 99.99 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 40.21 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 30.66 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 59.79 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 30.86 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.403 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 20.96 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 21.28 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 14' ' ' GLN . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 80.87 108.25 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.522 ' HD2' HG12 ' A' ' 13' ' ' ILE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 99' ' ' GLY . 3.4 pp . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 99.99 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 99.99 114.386 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 79.06 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.6 ' HD3' HG13 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 59.39 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 99.99 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 83.34 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 42.55 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 17.98 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 13.2 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.442 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 36.0 111.18 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 15.85 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.52 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 19.0 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.528 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 5.43 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.422 HG21 HG22 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 18.83 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 22.63 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 6.65 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 88.83 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 51.92 109.936 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 39.96 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.653 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 11.33 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 32.89 110.454 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 19.39 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 30.18 113.031 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 90.79 107.623 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 93.81 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 77.99 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.553 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 85.02 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.765 -0.457 . . . . 99.99 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 61.13 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 99.99 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 99.99 110.439 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 22.84 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 25.35 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.459 HG23 HD13 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 18.25 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 41.37 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.678 HD13 ' SG ' ' B' ' 113' ' ' CYS . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 15.07 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.458 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 29.37 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 11.41 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 27.88 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 51.27 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.603 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.603 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 99.99 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' HD21 ' B' ' 68' ' ' LEU . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 99.89 108.935 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.484 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 99.99 109.4 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 89.58 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 50.34 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 99.99 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 44.59 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 98.19 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 93.17 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.428 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 98.7 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 99.99 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.578 ' HB2' HD12 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 85.08 107.992 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 32.75 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 89.85 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.81 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 99.99 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 30.69 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.439 HG21 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 50.25 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.559 HG22 HD12 ' B' ' 114' ' ' ILE . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 27.1 109.699 -168.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 27.69 107.296 167.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 28.91 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.428 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 82.69 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' B' ' 38' ' ' PRO . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 84.99 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 91.81 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.454 ' HB3' ' NZ ' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 39.53 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 37.29 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 21.12 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 29.86 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 13.61 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.458 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 13.23 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.81 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 36.68 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.529 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 12.8 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 51.05 106.917 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 99.99 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 99.23 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 99.99 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 99.37 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 67.76 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 81.59 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 55.65 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 48.03 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 99.99 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 59.06 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 27.15 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 18.14 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 25.24 111.347 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 18.19 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 76.84 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.678 ' SG ' HD13 ' B' ' 21' ' ' ILE . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 28.75 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.559 HD12 HG22 ' B' ' 64' ' ' VAL . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 30.1 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 17.12 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.81 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 50.71 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 23.64 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 49.99 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.528 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 17' ' ' TYR . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 33.79 112.86 174.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 28.26 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 39.05 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 99.99 109.613 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 99.99 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 99.99 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 64.44 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 75.43 112.874 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.99 110.882 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 82.71 108.214 164.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 99.99 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 17.72 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.429 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 9.52 109.788 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 51.3 108.739 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.482 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 13.13 106.549 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 15.89 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 10.19 107.208 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 26.52 109.297 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 43.6 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.465 ' O ' HG21 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . 0.538 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 57.64 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.562 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 78.76 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 99.99 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 72.29 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.425 HG21 ' HE1' ' E' ' 290' ' ' TRP . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 99.99 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 99.99 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 99.99 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.754 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 90.89 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 55.92 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 78.18 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 57.25 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' C' ' 57' ' ' GLU . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 99.99 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 97.58 109.63 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.434 HG12 ' SG ' ' C' ' 102' ' ' CYS . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 43.88 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 30.1 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 99.67 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 31.81 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.79 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 29.1 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.471 HG21 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 36.6 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 38.08 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 65.72 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 99.99 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 83.21 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 40.89 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 38.89 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 66.65 110.906 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 32.91 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 14.84 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 26.52 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' C' ' 106' ' ' LEU . 6.6 tp-100 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 12.17 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.52 HD13 HD12 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 39.17 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.432 0.158 . . . . 99.99 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 81.7 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 68.22 111.503 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' HG12 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 85.73 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 52.77 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.553 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 18.22 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 62.78 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 20.21 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 17.97 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 10.09 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 18.56 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 31.03 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.511 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 26.09 111.697 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.501 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 21.24 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 14.3 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 10.17 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.616 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 12.08 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.416 HG22 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 54.79 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 23.93 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.558 HG21 ' HB3' ' D' ' 17' ' ' TYR . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 27.3 111.762 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 36.76 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 44.0 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 92.07 107.228 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 43.42 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 64.09 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 45.54 112.946 -170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.442 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 40.22 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 98.11 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 79.57 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.577 HG22 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 99.99 111.985 -170.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.577 HG23 HG22 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 81.0 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.558 ' HB3' HG21 ' C' ' 122' ' ' THR . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 28.79 112.372 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 14.92 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 58.5 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.616 HG21 ' HE1' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 14.63 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 15.53 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 6.05 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 14.28 108.681 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 16.78 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 22.87 114.762 -166.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 21.13 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 30.2 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 64.18 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 34.41 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 54.02 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 34.31 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.483 HG11 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 83.42 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.543 HD11 HD21 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 99.99 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 97.22 111.058 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 99.99 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 62.54 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 55.71 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 61.91 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.99 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 93.38 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 99.99 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 99.99 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.594 HG13 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 71.26 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.442 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 36.06 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 79.92 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 22.5 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 23.18 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.483 HG13 HG11 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 24.43 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 32.61 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 25.12 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.442 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 49.15 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 32.34 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 33.15 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 19.1 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 12.32 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 8.66 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 19.44 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 10.02 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 29.4 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.3 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 65.32 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.44 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 99.99 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.465 ' HB ' HD13 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 99.99 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.496 ' HB2' HD11 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 99.99 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 99.99 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.424 HD21 HD13 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 70.12 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 64.46 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 46.86 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 45.41 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.594 ' HG3' HG13 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 38.42 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 87.71 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.44 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 35.35 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 21.86 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 12.38 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 8.42 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 15.0 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 17.35 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 12.17 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.56 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.553 HG22 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 19.17 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 19.58 111.301 -173.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 14.23 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.499 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 6.04 111.958 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 19.19 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 16.36 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 7.12 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 35.79 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 27.88 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 17.97 110.964 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 33.77 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 99.99 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.543 HD21 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 35.86 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 48.78 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 48.18 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 95.86 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.425 ' HE1' HG21 ' C' ' 40' ' ' VAL . 30.9 t-105 . . . . . 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 34.4 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' HB3' HG23 ' B' ' 122' ' ' THR . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 17.02 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 50.99 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 18.45 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 13.15 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 6.92 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 22.19 109.188 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 43.73 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 63.88 111.083 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 73.6 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 99.99 109.401 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.603 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 50.91 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 67.81 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 99.99 109.966 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 81.17 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 83' ' ' ILE . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.23 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG12 ' HD3' ' A' ' 103' ' ' PRO . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 75.11 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 32.98 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 27.21 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 28.74 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.603 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 35.81 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 19.33 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 29.68 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 25.47 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 80.58 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 99.99 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 40.21 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 30.66 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 59.79 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.411 HD11 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 30.86 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 20.96 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 21.28 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.511 HG22 HD12 ' A' ' 51' ' ' LEU . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 80.87 108.665 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' HD2' HG12 ' A' ' 13' ' ' ILE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 99.99 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 99.99 111.983 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 79.06 112.595 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 59.39 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 99.99 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 83.34 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD23 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 42.55 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 17.98 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 13.2 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 36.0 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 15.85 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 19.0 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 5.43 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 18.83 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 22.63 110.239 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 6.65 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 88.83 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 51.92 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 39.96 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 11.33 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.546 HG23 ' NE ' ' B' ' 15' ' ' ARG . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 32.89 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 19.39 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 30.18 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 90.79 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.437 ' ND2' ' HB ' ' C' ' 16' ' ' ILE . 8.0 m120 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 93.81 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 77.99 113.047 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 85.02 112.303 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.497 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 61.13 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 99.99 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 122' ' ' THR . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 99.99 110.97 -171.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 22.84 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 25.35 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.432 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 18.25 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 41.37 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.432 HD13 ' SG ' ' B' ' 113' ' ' CYS . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 15.07 108.998 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 29.37 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 11.41 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 27.88 107.048 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 51.27 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.528 ' HB1' ' HE3' ' A' ' 19' ' ' LYS . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 99.99 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 99.89 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 99.99 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 99.99 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.505 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 89.58 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 50.34 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 99.99 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 44.59 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 98.19 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 93.17 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 98.7 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 99.99 108.566 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 85.08 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 32.75 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 89.85 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.505 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 99.99 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 30.69 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 50.25 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 27.1 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 27.69 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 28.91 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 82.69 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 84.99 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 91.81 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 39.53 111.219 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 37.29 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 21.12 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 29.86 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.592 ' SG ' HG21 ' B' ' 114' ' ' ILE . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 13.61 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 13.23 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 36.68 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.428 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 12.8 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 51.05 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.497 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 99.99 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 99.23 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 99.99 111.234 -170.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.461 ' HG3' HD13 ' B' ' 98' ' ' LEU . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.586 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 99.37 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 67.76 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 81.59 111.579 -174.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.586 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 55.65 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 48.03 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 99.99 111.772 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 59.06 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 27.15 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 18.14 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 25.24 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 18.19 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 76.84 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 28.75 111.203 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.592 HG21 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 30.1 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' THR . . . . . 0.411 HG22 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 17.12 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.81 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.578 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 50.71 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 23.64 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.597 ' HA ' HE22 ' C' ' 125' ' ' GLN . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 49.99 112.615 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 17' ' ' TYR . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 33.79 112.692 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 28.26 110.958 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 39.05 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.416 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 99.99 106.524 170.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 99.99 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 99.99 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 64.44 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.423 ' HD3' ' HH ' ' D' ' 109' ' ' TYR . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 75.43 111.193 175.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.99 110.966 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.84 0.352 . . . . 99.99 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.476 HD11 ' H ' ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 82.71 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 83.9 mm-40 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 99.99 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.437 ' HB ' ' ND2' ' A' ' 127' ' ' ASN . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 17.72 108.489 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 9.52 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 51.3 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.799 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' D' ' 117' ' ' MET . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 13.13 106.827 174.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 15.89 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 10.19 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 26.52 107.905 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 43.6 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.543 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 57.64 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 78.76 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.558 ' HB2' ' HZ2' ' C' ' 34' ' ' LYS . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 99.99 110.954 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . 0.432 ' O ' HD23 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 72.29 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 99.99 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 99.99 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.441 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 90.89 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 55.92 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 78.18 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 57.25 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' C' ' 56' ' ' TYR . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 97.58 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . 0.417 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 43.88 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 30.1 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 99.67 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.441 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' C' ' 110' ' ' ALA . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 31.81 107.752 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.79 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 29.1 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 36.6 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 38.08 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 65.72 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.432 HD23 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 99.99 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 83.21 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 40.89 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 38.89 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 66.65 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 32.91 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 14.84 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.799 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 26.52 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 12.17 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 39.17 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 99.99 111.618 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 81.7 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 68.22 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.612 ' HB3' HG23 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 85.73 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 52.77 113.494 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 18.22 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 62.78 112.382 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 20.21 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 17.97 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 10.09 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.44 ' HB3' HG22 ' C' ' 62' ' ' VAL . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 18.56 110.43 174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 31.03 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 26.09 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.409 HG21 HG23 ' C' ' 64' ' ' VAL . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 21.24 111.414 176.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 14.3 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 10.17 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.553 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 12.08 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.416 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 54.79 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' SER . . . . . 0.411 ' OG ' HG22 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 23.93 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 27.3 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.543 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 36.76 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 44.0 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.597 HE22 ' HA ' ' B' ' 119' ' ' SER . 42.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.513 HD12 HG12 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 92.07 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 43.42 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 64.09 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 45.54 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 40.22 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 98.11 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 79.57 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 99.99 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 81.0 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 28.79 112.494 -165.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 14.92 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 58.5 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.553 HG23 ' HE1' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 14.63 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 15.53 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 6.05 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 14.28 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 16.78 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 22.87 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.601 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 21.13 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 30.2 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 64.18 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 34.41 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 54.02 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . 0.421 HE22 ' HB2' ' D' ' 124' ' ' PRO . 8.0 tp-100 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.458 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 34.31 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.525 HG12 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 83.42 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 99.99 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 97.22 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 99.99 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 62.54 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 55.71 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 61.91 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.99 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 93.38 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 99.99 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 99.99 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 71.26 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.55 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 36.06 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 79.92 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 22.5 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 23.18 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.525 HG13 HG12 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 24.43 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 32.61 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 25.12 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 49.15 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 32.34 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 33.15 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 19.1 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 12.32 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . 0.458 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 8.66 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 19.44 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.652 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 10.02 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 29.4 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.416 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.7 tp-100 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.3 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 65.32 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 99.99 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 99.99 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.648 ' HB2' HD11 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 99.99 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 99.99 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.632 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 70.12 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 64.46 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 46.86 112.2 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 45.41 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 38.42 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 87.71 110.277 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 35.35 110.429 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.416 HD11 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 21.86 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 12.38 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 8.42 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . 0.423 ' HH ' ' HD3' ' B' ' 130' ' ' PRO . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 15.0 111.592 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 17.35 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' D' ' 128' ' ' LEU . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 12.17 110.462 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.56 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.652 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 19.17 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 19.58 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 14.23 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.405 ' HG2' HD11 ' C' ' 21' ' ' ILE . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 6.04 111.803 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 19.19 110.465 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 16.36 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 7.12 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 35.79 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.421 ' HB2' HE22 ' D' ' 37' ' ' GLN . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 27.88 112.746 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 17.97 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 33.77 109.538 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 99.99 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' D' ' 111' ' ' ARG . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 35.86 109.352 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 48.78 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 48.18 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 95.86 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.168 0.509 . . . . 99.99 111.696 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' HD3' HD13 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 99.99 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 34.4 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 17.02 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' HG21 ' A' ' 59' ' ' VAL . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 50.99 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 18.45 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 13.15 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 6.92 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 22.19 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 43.73 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 29' ' ' PRO . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HZ1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 63.88 112.655 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 73.6 110.291 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 99.99 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 50.91 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 67.81 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 99.99 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 81.17 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.23 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 75.11 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 32.98 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 27.21 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 28.74 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 35.81 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 19.33 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 29.68 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 25.47 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 80.58 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD11 ' HZ1' ' A' ' 34' ' ' LYS . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 99.99 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 40.21 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 30.66 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 59.79 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 30.86 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 20.96 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' O ' HD11 ' A' ' 106' ' ' LEU . 6.9 tp-100 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 21.28 112.343 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 80.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HE1' HG21 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.521 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.16 0.43 . . . . 99.99 112.16 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 99.99 114.907 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 99.99 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' O ' HG22 ' A' ' 105' ' ' ILE . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 79.06 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 59.39 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 99.99 111.459 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 83.34 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD23 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 42.55 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 17.98 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 13.2 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 36.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 15.85 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 19.0 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.546 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 5.43 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.421 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 18.83 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.453 HG23 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 22.63 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 6.65 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 88.83 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 51.92 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 39.96 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 11.33 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 32.89 109.964 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 19.39 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 30.18 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.455 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 90.79 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 93.81 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 77.99 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.585 ' HG3' HD12 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 85.02 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.534 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.489 -0.189 . . . . 99.99 110.489 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 61.13 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 99.99 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 99.99 111.371 -173.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 22.84 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 25.35 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 18.25 109.467 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 41.37 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 15.07 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 29.37 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.546 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 11.41 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 27.88 109.522 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 90.3 m-20 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 51.27 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.432 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.587 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.587 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 99.99 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' B' ' 68' ' ' LEU . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 99.89 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HZ3' ' HB3' ' B' ' 41' ' ' LYS . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 99.99 108.848 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.687 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 99.99 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 89.58 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 50.34 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 99.99 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 44.59 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 98.19 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 93.17 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 98.7 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 85.08 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 32.75 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 89.85 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.691 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 99.99 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 30.69 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.687 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 50.25 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 27.1 109.0 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 27.69 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 28.91 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 82.69 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' B' ' 38' ' ' PRO . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 84.99 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 91.81 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.503 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 75' ' ' LEU . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 39.53 111.051 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 37.29 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 21.12 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 29.86 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' B' ' 117' ' ' MET . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 13.61 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.423 HG12 HD11 ' B' ' 21' ' ' ILE . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 13.23 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.691 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 36.68 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 12.8 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 51.05 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 99.99 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 99.23 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.44 HG12 HD21 ' B' ' 98' ' ' LEU . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 99.99 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.478 ' SD ' HD23 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.511 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 99.37 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 67.76 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 81.59 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 55.65 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 48.03 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 99.99 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 59.06 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 27.15 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 18.14 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 25.24 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 18.19 111.142 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 76.84 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.442 ' HG ' HD13 ' B' ' 21' ' ' ILE . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 28.75 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.441 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 30.1 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 17.12 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.81 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.577 ' HE3' ' SG ' ' B' ' 76' ' ' CYS . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 50.71 112.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 23.64 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 49.99 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.546 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 33.79 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 28.26 109.09 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 39.05 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 99.99 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 99.99 109.029 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 99.99 109.476 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 64.44 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 75.43 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.99 109.89 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 82.71 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.466 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 25.9 mm-40 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 99.99 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.455 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 17.72 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 9.52 109.059 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 51.3 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.75 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 13.13 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 15.89 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 10.19 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 26.52 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 43.6 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . 0.445 ' HG3' ' HZ3' ' D' ' 19' ' ' LYS . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 57.64 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.713 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 78.76 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 99.99 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 8.2 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 72.29 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 99.99 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 99.99 109.271 171.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.4 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 99.99 110.131 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 90.89 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 55.92 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 78.18 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 57.25 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 99.99 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 97.58 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.69 ' HB2' HD12 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 43.88 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 30.1 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 99.67 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 31.81 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.4 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.79 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 29.1 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 36.6 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 38.08 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 65.72 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 99.99 109.008 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 83.21 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 40.89 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 38.89 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 66.65 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 32.91 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 14.84 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.75 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 26.52 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 12.17 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.489 HD13 HD12 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 39.17 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.484 0.183 . . . . 99.99 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.44 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 81.7 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 68.22 111.81 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.448 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 85.73 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 52.77 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.585 HD12 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 18.22 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 62.78 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 20.21 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 17.97 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.453 ' HE2' HG23 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 10.09 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 18.56 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 31.03 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 26.09 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 21.24 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 14.3 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 10.17 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.672 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 12.08 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 54.79 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 23.93 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 27.3 112.904 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.565 ' HE1' HG12 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 36.76 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' C' ' 123' ' ' PHE . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 44.0 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 92.07 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 43.42 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 64.09 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 45.54 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 40.22 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 98.11 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.243 0.761 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 79.57 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.495 HD12 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 99.99 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.488 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 81.0 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.402 ' HE2' ' HZ2' ' D' ' 19' ' ' LYS . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 28.79 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 14.92 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.445 ' HZ3' ' HG3' ' C' ' 29' ' ' PRO . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 58.5 109.48 176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.672 HG21 ' HE1' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 14.63 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' SER . . . . . 0.411 ' N ' HG23 ' D' ' 21' ' ' ILE . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 15.53 108.749 176.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.563 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 6.05 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 14.28 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 16.78 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 22.87 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 21.13 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 30.2 109.088 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 64.18 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.583 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 34.41 109.263 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 54.02 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 34.31 112.196 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.622 HG11 HG11 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 83.42 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 99.99 106.424 169.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 97.22 111.191 -166.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 62.54 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.401 ' HG ' HG22 ' D' ' 58' ' ' VAL . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 55.71 110.401 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 61.91 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.99 108.813 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 93.38 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 99.99 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.401 HG22 ' HG ' ' D' ' 48' ' ' SER . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 71.26 109.664 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 36.06 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 79.92 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.554 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 22.5 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 23.18 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.622 HG11 HG11 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 24.43 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 32.61 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 25.12 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 49.15 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 32.34 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 33.15 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.583 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 19.1 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 12.32 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 8.66 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 19.44 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.466 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 10.02 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.554 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 29.4 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.3 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 65.32 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 99.99 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 99.99 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 99.99 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 99.99 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.693 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 70.12 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 64.46 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 46.86 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.693 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 45.41 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HB3' HD12 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 38.42 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 87.71 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD12 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 35.35 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 21.86 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 12.38 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 8.42 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 15.0 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 17.35 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.44 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 12.17 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.56 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.61 HD13 HD12 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 19.17 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 19.58 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 14.23 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.435 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 6.04 111.541 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 19.19 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 16.36 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 7.12 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 35.79 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 27.88 113.069 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 17.97 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.458 HD11 HG23 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 33.77 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . 0.44 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.61 HD12 HD13 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 35.86 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 48.78 110.401 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 48.18 114.286 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 95.86 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 110.41 -0.218 . . . . 99.99 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.161 -0.311 . . . . 99.99 110.161 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.422 HE22 HG12 ' A' ' 55' ' ' VAL . 47.3 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 99.99 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 34.4 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HB3' HG23 ' B' ' 122' ' ' THR . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 17.02 109.554 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 50.99 110.244 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.87 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 18.45 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 13.15 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 6.92 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 22.19 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 43.73 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HZ2' ' HB2' ' A' ' 71' ' ' GLU . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.517 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.754 ' HA ' HD22 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 63.88 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 73.6 109.154 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD21 ' H ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 99.99 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.572 HG22 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 50.91 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 67.81 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 99.99 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 81.17 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 83' ' ' ILE . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.422 HG12 HE22 ' A' ' 14' ' ' GLN . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.23 106.608 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG13 ' HD3' ' A' ' 103' ' ' PRO . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 75.11 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 32.98 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 27.21 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 28.74 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 35.81 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.655 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 19.33 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.629 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 29.68 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 25.47 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 80.58 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.754 HD22 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 99.99 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.672 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 40.21 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 30.66 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 59.79 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD11 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 30.86 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.655 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 20.96 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.87 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HG3' HD23 ' A' ' 106' ' ' LEU . 8.6 tp-100 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 21.28 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.557 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 51' ' ' LEU . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 80.87 108.202 174.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.498 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.793 0.664 . . . . 99.99 112.793 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.572 ' HA2' HG22 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 99.99 114.204 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 99.99 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 79.06 114.271 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' HG13 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 59.39 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 99.99 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 83.34 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.557 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 42.55 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 17.98 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 13.2 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 36.0 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 15.85 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.614 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 19.0 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 5.43 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 18.83 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 22.63 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 6.65 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 88.83 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 51.92 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 39.96 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 11.33 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.49 HG23 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 32.89 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 19.39 108.749 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 30.18 112.693 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 90.79 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 93.81 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 77.99 111.124 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.614 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 85.02 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.491 ' HE2' HG13 ' B' ' 13' ' ' ILE . 16.8 t80 . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 99.99 107.867 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 61.13 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 99.99 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.49 ' HE ' HG23 ' A' ' 122' ' ' THR . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 99.99 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.667 HD13 HD22 ' D' ' 127' ' ' ASN . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 22.84 107.438 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 25.35 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 18.25 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 41.37 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 15.07 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 29.37 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 11.41 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 27.88 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 51.27 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' B' ' 25' ' ' ALA . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' B' ' 71' ' ' GLU . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 99.99 110.345 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HA ' HD21 ' B' ' 68' ' ' LEU . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.487 HG13 HD12 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 99.89 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 99.99 108.377 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 99.99 110.021 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.739 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 89.58 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 50.34 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 99.99 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 44.59 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 98.19 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 93.17 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.542 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 98.7 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 99.99 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 85.08 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 32.75 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 89.85 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.739 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 99.99 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 30.69 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 50.25 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 114' ' ' ILE . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 27.1 109.494 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 27.69 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 28.91 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 82.69 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.513 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 84.99 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 91.81 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.507 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 39.53 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 37.29 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 21.12 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 29.86 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 13.61 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 13.23 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 36.68 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 12.8 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 51.05 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 99.99 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.546 ' HB3' HG21 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 99.23 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.473 HD11 HD21 ' B' ' 98' ' ' LEU . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 99.99 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.599 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.599 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.427 ' HG ' HD12 ' B' ' 98' ' ' LEU . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.473 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 99.37 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 67.76 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 96' ' ' HIS . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 81.59 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 55.65 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 48.03 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 99.99 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 59.06 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 27.15 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.411 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 18.14 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 25.24 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 18.19 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 76.84 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.63 ' SG ' HD13 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 28.75 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 30.1 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 17.12 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.81 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.462 ' HE3' HG21 ' A' ' 21' ' ' ILE . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 50.71 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 23.64 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 49.99 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 17' ' ' TYR . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 33.79 112.382 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 28.26 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 39.05 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 99.99 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 99.99 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.543 HD22 ' H ' ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 64.44 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.411 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 75.43 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.99 111.067 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 82.71 108.12 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.555 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 30.7 mm-40 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 99.99 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 17.72 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 9.52 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 51.3 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 13.13 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 15.89 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 10.19 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 26.52 108.263 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 43.6 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 57.64 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.585 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 78.76 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.498 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.585 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 99.99 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 72.29 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.581 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 99.99 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 99.99 108.765 173.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.632 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 99.99 108.255 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 90.89 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 55.92 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 78.18 110.312 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 57.25 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.475 ' HB2' HG11 ' C' ' 55' ' ' VAL . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.409 ' HB2' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 99.99 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 97.58 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 43.88 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 30.1 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 99.67 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 31.81 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.79 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 29.1 108.657 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 36.6 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 38.08 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 65.72 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 99.99 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 83.21 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 40.89 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 38.89 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 66.65 111.815 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.406 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 32.91 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 14.84 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 26.52 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 7.9 tp-100 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 12.17 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.512 ' HA3' HD22 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 39.17 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.965 0.412 . . . . 99.99 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' C' ' 103' ' ' PRO . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 81.7 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 68.22 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 85.73 113.053 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' C' ' 98' ' ' LEU . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 52.77 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.481 HD13 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 18.22 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.512 HD22 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 62.78 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 20.21 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 17.97 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 10.09 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 18.56 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 31.03 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 26.09 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.482 HD11 ' HB ' ' C' ' 62' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 21.24 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' THR . . . . . 0.47 HG22 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 14.3 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 10.17 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.577 ' HA ' ' HD2' ' C' ' 120' ' ' ARG . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 12.08 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 54.79 110.124 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 23.93 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.453 HG22 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 27.3 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 36.76 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 44.0 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.47 ' HB3' HG22 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 92.07 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 43.42 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 64.09 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 45.54 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.45 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 40.22 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 98.11 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.405 ' CE2' ' SG ' ' D' ' 102' ' ' CYS . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 79.57 108.377 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.51 HD12 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 99.99 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 81.0 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.453 ' HB3' HG22 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 28.79 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 14.92 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 58.5 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.556 HG23 ' HE1' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 14.63 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 15.53 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.517 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 6.05 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 14.28 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 16.78 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 22.87 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 21.13 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 30.2 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 64.18 110.973 -170.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.453 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.61 HE21 ' HA ' ' D' ' 33' ' ' GLN . 0.0 OUTLIER -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 34.41 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 54.02 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 34.31 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.46 HG23 HD11 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 83.42 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 99.99 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.431 HD22 HD13 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 97.22 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 62.54 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 55.71 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 61.91 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.99 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 93.38 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.425 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 99.99 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' D' ' 87' ' ' ALA . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 71.26 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.504 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 36.06 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.431 HD13 HD22 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 79.92 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 22.5 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 23.18 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 24.43 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 32.61 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 25.12 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 49.15 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 32.34 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 33.15 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 19.1 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 12.32 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 8.66 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 19.44 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.495 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 10.02 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 29.4 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.458 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.3 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 65.32 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 99.99 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 99.99 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 99.99 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 99.99 111.796 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.672 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 70.12 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 64.46 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 46.86 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 45.41 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 38.42 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 87.71 111.521 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.51 HG21 HD12 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 35.35 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.458 HD11 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 21.86 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 12.38 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 8.42 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 15.0 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 17.35 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 12.17 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.56 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.426 ' O ' HG22 ' D' ' 118' ' ' VAL . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 19.17 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 19.58 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 14.23 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 6.04 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 19.19 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 119' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 16.36 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 7.12 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 35.79 111.595 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 27.88 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 17.97 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.46 HD11 HG23 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 33.77 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . 0.667 HD22 HD13 ' B' ' 16' ' ' ILE . 7.9 t-20 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 99.99 108.05 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 35.86 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 48.78 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.428 ' HG3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 48.18 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 95.86 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.581 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.297 0.57 . . . . 99.99 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.623 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.579 ' NE2' HG21 ' A' ' 83' ' ' ILE . 30.3 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 99.99 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 34.4 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' HB3' HG23 ' B' ' 122' ' ' THR . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 17.02 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 50.99 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 18.45 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 13.15 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB2' ' HE1' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 6.92 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 22.19 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 43.73 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.489 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 63.88 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 73.6 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 99.99 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 50.91 109.641 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 67.81 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 99.99 109.691 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 81.17 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.23 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HD3' ' A' ' 103' ' ' PRO . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 75.11 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 32.98 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 27.21 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 28.74 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 35.81 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 19.33 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 29.68 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 25.47 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 80.58 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 99.99 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 40.21 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.714 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 30.66 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 59.79 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 30.86 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 20.96 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 21.28 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG21 ' NE2' ' A' ' 14' ' ' GLN . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 80.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.623 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.506 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.6 pp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 99.99 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 99.99 113.255 -167.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 79.06 111.483 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.519 ' HD3' HG13 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 59.39 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 99.99 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 83.34 110.952 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 42.55 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.456 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 17.98 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 13.2 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 36.0 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 15.85 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.454 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 19.0 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 5.43 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 18.83 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.494 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 22.63 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 6.65 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 88.83 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 51.92 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 39.96 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 11.33 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 32.89 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 19.39 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.489 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 30.18 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 90.79 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 93.81 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 77.99 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 85.02 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 50.9 t80 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 61.13 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 99.99 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 99.99 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 22.84 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 25.35 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.558 HG23 HD12 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 18.25 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 41.37 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.447 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.558 HD12 HG23 ' B' ' 18' ' ' THR . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 15.07 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 29.37 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 11.41 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.528 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 27.88 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 51.27 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' HZ1' ' HG2' ' B' ' 71' ' ' GLU . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 99.99 110.254 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 99.89 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 99.99 110.688 -172.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.528 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 99.99 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 89.58 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 50.34 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 99.99 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 44.59 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 98.19 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 93.17 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 98.7 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 99.99 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.662 ' HB2' HD13 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 85.08 109.237 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 32.75 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 89.85 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.761 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 30.69 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 50.25 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.531 HG22 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 27.1 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 27.69 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 28.91 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 82.69 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 84.99 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 91.81 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HZ1' ' B' ' 34' ' ' LYS . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.497 HG22 HD23 ' B' ' 75' ' ' LEU . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 39.53 111.755 -176.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 37.29 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.433 ' HZ ' HD22 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 21.12 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.497 HD23 HG22 ' B' ' 72' ' ' THR . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 29.86 106.748 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 13.61 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 13.23 108.924 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 36.68 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 12.8 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 51' ' ' LEU . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 51.05 108.336 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 99.99 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 99.23 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 99.99 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.558 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 99.37 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 67.76 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 81.59 112.042 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 55.65 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 48.03 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 99.99 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 59.06 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 27.15 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 18.14 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 25.24 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 18.19 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 76.84 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 28.75 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.531 HG21 HG22 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 30.1 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 17.12 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.81 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 50.71 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 23.64 110.138 175.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 49.99 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.444 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 17' ' ' TYR . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 33.79 112.503 175.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 28.26 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 39.05 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . 0.471 ' H ' HD21 ' B' ' 127' ' ' ASN . 0.1 OUTLIER -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 99.99 107.97 168.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 99.99 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 64.44 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.564 ' HB3' ' HH ' ' D' ' 109' ' ' TYR . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 75.43 111.508 173.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.99 109.766 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.939 -0.393 . . . . 99.99 109.939 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 82.71 108.352 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.684 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 99.99 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.684 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 17.72 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 9.52 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 51.3 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 13.13 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 15.89 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.557 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 10.19 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 26.52 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 43.6 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' C' ' 31' ' ' VAL . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 57.64 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.626 HG13 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 78.76 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 99.99 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.643 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 72.29 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 99.99 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 99.99 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 90.89 111.092 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 55.92 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 78.18 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 57.25 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.454 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.511 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 99.99 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 97.58 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . 0.454 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 43.88 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 30.1 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 99.67 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.735 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 31.81 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.79 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 29.1 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 36.6 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 38.08 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 65.72 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.643 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 99.99 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 83.21 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 40.89 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 38.89 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 66.65 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 32.91 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.615 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 14.84 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 26.52 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 12.17 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' D' ' 29' ' ' PRO . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 39.17 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.925 0.393 . . . . 99.99 111.062 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.541 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 81.7 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 68.22 111.978 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 85.73 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 52.77 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 18.22 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 62.78 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 20.21 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 17.97 113.938 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.494 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 10.09 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 18.56 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.726 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 31.03 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.425 ' SG ' HG21 ' C' ' 78' ' ' VAL . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 26.09 110.823 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.425 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 21.24 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 14.3 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 10.17 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.621 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 12.08 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 54.79 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 23.93 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 27.3 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.626 ' HE1' HG13 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 36.76 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 44.0 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 92.07 109.307 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 43.42 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.726 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 64.09 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 45.54 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 40.22 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 98.11 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.475 HG22 HE22 ' D' ' 12' ' ' GLN . 98.0 m . . . . . 0 C--O 1.237 0.425 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 79.57 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . 0.475 HE22 HG22 ' D' ' 10' ' ' THR . 23.4 mp0 -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.423 HD12 HD11 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 99.99 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 81.0 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.508 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 28.79 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 14.92 109.986 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.619 ' HD3' HG13 ' D' ' 59' ' ' VAL . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 58.5 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.621 HG23 ' HE1' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 14.63 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 15.53 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 6.05 104.426 169.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 14.28 109.219 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 16.78 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' HZ ' ' D' ' 123' ' ' PHE . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 22.87 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.533 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 21.13 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 30.2 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' D' ' 68' ' ' LEU . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 64.18 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.623 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 34.41 109.037 174.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 54.02 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 34.31 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 83.42 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 99.99 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.445 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 97.22 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 99.99 109.897 173.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 62.54 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 55.71 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 61.91 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.99 110.261 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 93.38 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 99.99 115.606 -154.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.414 ' HH ' HD11 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . 0.442 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 71.26 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.619 HG13 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 36.06 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 79.92 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.436 HG23 ' HB1' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 22.5 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 23.18 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 24.43 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 32.61 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 25.12 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 49.15 111.142 -174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 32.34 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 33.15 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.623 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 19.1 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.477 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 12.32 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 8.66 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 19.44 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.655 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 10.02 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.761 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 29.4 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.3 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.508 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 65.32 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 99.99 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.703 HG12 HD12 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.703 HD12 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . 0.595 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 99.99 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 99.99 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 70.12 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 64.46 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 46.86 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.507 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 45.41 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.501 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 38.42 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.45 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 87.71 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 35.35 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 21.86 111.696 -172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 12.38 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 8.42 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . 0.564 ' HH ' ' HB3' ' B' ' 130' ' ' PRO . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 15.0 111.384 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 17.35 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.45 ' HA ' HD11 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 12.17 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.56 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.655 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 19.17 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 19.58 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 14.23 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 6.04 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.478 HG22 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 19.19 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 16.36 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 7.12 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 35.79 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . 0.454 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.582 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 27.88 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 17.97 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 33.77 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 99.99 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 35.86 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 48.78 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 48.18 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 95.86 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . 0.45 ' HE2' ' HA ' ' D' ' 104' ' ' ASN . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.431 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.431 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 . . . . . 0 C--O 1.24 0.581 0 N-CA-C 109.811 -0.44 . . . . 99.99 109.811 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 99.99 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 34.4 108.959 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' B' ' 122' ' ' THR . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 17.02 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 50.99 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 18.45 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 13.15 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 6.92 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 22.19 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 43.73 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 63.88 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 73.6 110.438 -175.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 99.99 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.843 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD21 ' H ' ' A' ' 44' ' ' LEU . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 50.91 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 67.81 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 99.99 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 81.17 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD13 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.23 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 75.11 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 32.98 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 27.21 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 28.74 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.843 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 35.81 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 19.33 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 29.68 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 25.47 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 80.58 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 99.99 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 40.21 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 30.66 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 59.79 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 30.86 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 20.96 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 21.28 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 80.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 111.933 0.346 . . . . 99.99 111.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 99.99 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 99.99 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 79.06 113.331 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.414 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 59.39 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 99.99 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 83.34 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 42.55 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.419 ' HD1' HD12 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 17.98 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 13.2 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 36.0 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 15.85 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.437 HH12 HD13 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 19.0 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 5.43 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 18.83 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 22.63 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 6.65 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 88.83 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 51.92 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 39.96 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 11.33 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 32.89 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 19.39 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 30.18 112.39 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 90.79 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 93.81 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 77.99 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 85.02 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.116 -0.327 . . . . 99.99 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 61.13 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 99.99 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.426 HH21 HG23 ' A' ' 122' ' ' THR . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 99.99 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 22.84 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 25.35 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 18.25 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 41.37 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.578 HG22 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 15.07 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 29.37 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 11.41 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 27.88 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 51.27 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.536 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.536 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 99.99 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.535 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 99.89 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.457 HD21 HG21 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 99.99 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.477 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.65 HD22 HD22 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 99.99 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 89.58 110.439 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 50.34 109.887 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 99.99 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 44.59 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 98.19 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 83' ' ' ILE . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.538 ' HB1' ' HB ' ' B' ' 55' ' ' VAL . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 93.17 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 98.7 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 99.99 107.776 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.466 HG23 HD13 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 85.08 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.403 HG13 HE21 ' B' ' 79' ' ' GLN . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 32.75 108.829 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.65 HD22 HD22 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 89.85 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 99.99 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 30.69 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 50.25 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.54 HG22 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 27.1 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 27.69 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 28.91 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 82.69 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 84.99 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 91.81 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 39.53 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 37.29 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 21.12 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 29.86 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 13.61 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 13.23 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 36.68 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 12.8 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 51.05 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.48 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 99.99 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 99.23 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.57 HD12 HD22 ' B' ' 98' ' ' LEU . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 99.99 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.57 HD22 HD12 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 99.37 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 67.76 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 81.59 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 55.65 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 48.03 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 99.99 112.468 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.69 HG22 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 59.06 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 27.15 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 18.14 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 25.24 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 18.19 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 76.84 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 28.75 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.54 HG21 HG22 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 30.1 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' THR . . . . . 0.617 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 17.12 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.81 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.437 ' HE1' ' SG ' ' B' ' 76' ' ' CYS . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 50.71 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 23.64 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 49.99 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 17' ' ' TYR . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 33.79 112.267 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 28.26 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 39.05 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 99.99 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 99.99 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 99.99 110.557 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 64.44 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 75.43 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.99 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.6 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 82.71 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 99.99 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.44 HH11 HG22 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 17.72 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 9.52 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 51.3 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 13.13 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 15.89 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.443 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 10.19 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' C' ' 28' ' ' ALA . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 26.52 106.91 166.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 43.6 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' C' ' 25' ' ' ALA . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 57.64 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 78.76 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 99.99 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 72.29 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.439 ' HG ' HD23 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 99.99 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 99.99 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 90.89 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 55.92 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 78.18 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 57.25 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 99.99 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 97.58 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.65 ' HB2' HD12 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 43.88 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 30.1 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 99.67 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 31.81 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.79 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 29.1 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 36.6 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 38.08 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 65.72 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 99.99 109.464 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 83.21 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.584 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 40.89 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG23 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 38.89 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 66.65 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 32.91 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 14.84 108.804 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.542 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 26.52 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . 0.402 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 12.17 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.472 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 39.17 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.125 0.417 . . . . 99.99 112.125 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.559 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 81.7 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 68.22 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 85.73 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 52.77 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.437 HD13 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 18.22 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.472 HD23 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 62.78 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 20.21 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 17.97 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 10.09 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 18.56 111.422 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 31.03 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 26.09 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 21.24 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 14.3 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 10.17 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.621 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 12.08 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 54.79 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 23.93 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 27.3 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.443 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 36.76 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 44.0 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 92.07 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 43.42 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.439 HD23 ' HG ' ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 64.09 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 45.54 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 40.22 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 98.11 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.67 ' HB ' HE22 ' D' ' 12' ' ' GLN . 32.6 p . . . . . 0 CA--C 1.546 0.79 0 CA-C-O 120.388 0.137 . . . . 99.99 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 79.57 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . 0.67 HE22 ' HB ' ' D' ' 10' ' ' THR . 1.8 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 99.99 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 81.0 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' C' ' 28' ' ' ALA . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 28.79 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 14.92 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 58.5 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.621 HG21 ' HE1' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 14.63 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 15.53 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 6.05 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 14.28 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 16.78 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 22.87 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 21.13 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 30.2 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 64.18 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 34.41 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 54.02 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 34.31 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 83.42 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.538 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 99.99 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 97.22 109.757 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 99.99 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 62.54 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 55.71 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 61.91 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.99 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 93.38 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 99.99 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.44 HG13 ' HG ' ' D' ' 85' ' ' SER . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 99.99 105.352 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 71.26 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 36.06 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 79.92 108.618 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.538 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 22.5 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 23.18 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 24.43 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 32.61 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 25.12 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.474 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 49.15 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 32.34 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 33.15 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 19.1 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.474 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 12.32 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 8.66 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 19.44 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.635 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . 0.413 HG21 HG22 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 10.02 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 29.4 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.3 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 65.32 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.44 ' HG ' HG13 ' D' ' 55' ' ' VAL . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 99.99 109.649 176.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.419 HG12 HD22 ' D' ' 98' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 99.99 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.468 HG12 ' HG3' ' D' ' 94' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . 0.541 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.468 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . 0.6 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 99.99 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 99.99 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.62 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 70.12 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 64.46 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 46.86 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 45.41 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 38.42 113.448 169.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 87.71 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 35.35 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 21.86 112.039 -173.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 12.38 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 8.42 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 15.0 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 17.35 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 12.17 111.206 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.56 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.661 HD13 HD12 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 19.17 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 19.58 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 14.23 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.635 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 6.04 111.775 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.441 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 19.19 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 119' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 16.36 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 7.12 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 122' ' ' THR . . . . . 0.44 HG22 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 35.79 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 27.88 112.219 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 17.97 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 33.77 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 99.99 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.661 HD12 HD13 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 35.86 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 48.78 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 48.18 112.307 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 95.86 111.412 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 CA--C 1.551 0.996 0 CA-C-O 121.269 0.557 . . . . 99.99 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 99.99 109.42 -168.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 34.4 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.475 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 17.02 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 50.99 110.001 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 18.45 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 13.15 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 6.92 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 22.19 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 43.73 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 11.1 m170 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 63.88 112.639 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 73.6 109.319 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 99.99 110.095 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.477 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 131' ' ' VAL . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 50.91 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 67.81 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 99.99 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 81.17 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.728 ' HB2' HD12 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.23 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 75.11 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 32.98 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 27.21 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.58 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 28.74 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 35.81 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 19.33 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 29.68 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 25.47 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 80.58 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 99.99 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 40.21 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 30.66 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 59.79 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 30.86 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.687 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 20.96 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 21.28 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 80.87 108.421 170.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.562 0.578 . . . . 99.99 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 99.99 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 99.99 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 79.06 114.629 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 59.39 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 99.99 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 83.34 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 42.55 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 17.98 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 13.2 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 36.0 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 15.85 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.483 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 19.0 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 5.43 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.496 HG21 HG22 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 18.83 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 22.63 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 6.65 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 88.83 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 51.92 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 39.96 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 11.33 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.415 HG21 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 32.89 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 19.39 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 30.18 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 90.79 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.483 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 93.81 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 77.99 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 85.02 111.358 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 44' ' ' LEU . 3.8 p . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.737 -0.468 . . . . 99.99 109.737 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.541 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 61.13 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 99.99 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.425 ' HG2' ' HD1' ' B' ' 17' ' ' TYR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 99.99 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' D' ' 127' ' ' ASN . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 22.84 107.87 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 25.35 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.423 HG23 HD13 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 18.25 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 41.37 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' B' ' 113' ' ' CYS . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 15.07 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 29.37 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 11.41 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 27.88 107.9 170.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 50.7 m-80 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 51.27 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HZ2' ' HG2' ' B' ' 71' ' ' GLU . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 99.99 110.897 -173.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HA ' HD21 ' B' ' 68' ' ' LEU . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 99.89 110.008 -176.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 99.99 111.092 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 99.99 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 89.58 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 50.34 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 99.99 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 44.59 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 98.19 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 93.17 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 98.7 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 99.99 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.403 ' HB2' HD13 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.524 HG11 HD23 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 85.08 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 32.75 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 89.85 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 99.99 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 30.69 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 50.25 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.55 HG22 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 27.1 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 27.69 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 28.91 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 82.69 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 84.99 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 91.81 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.404 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 39.53 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 37.29 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 21.12 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 29.86 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 13.61 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 13.23 108.475 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 36.68 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 12.8 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 51.05 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.541 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 99.99 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 99.23 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 99.99 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' B' ' 94' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.488 ' HG3' HG23 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.597 ' HE3' HD13 ' B' ' 98' ' ' LEU . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.542 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.597 HD13 ' HE3' ' B' ' 94' ' ' MET . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 99.37 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 67.76 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 81.59 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 55.65 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 48.03 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 99.99 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 59.06 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 27.15 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 18.14 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 25.24 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 18.19 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 76.84 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' B' ' 21' ' ' ILE . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 28.75 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.55 HG21 HG22 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 30.1 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 17.12 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.81 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 50.71 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 23.64 110.288 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 49.99 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.433 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 33.79 111.917 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 28.26 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 39.05 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 99.99 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 99.99 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 64.44 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.629 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 75.43 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.99 110.115 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.444 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 . . . . . 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.713 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 82.71 108.731 174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 99.99 111.977 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 17.72 109.331 -175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' THR . . . . . 0.413 HG23 HE22 ' C' ' 80' ' ' GLN . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 9.52 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 51.3 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 13.13 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 15.89 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 10.19 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 26.52 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 43.6 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 57.64 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 78.76 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.661 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 99.99 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 72.29 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 99.99 109.71 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.442 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 99.99 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.573 HD22 HD12 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 99.99 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 90.89 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 55.92 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 78.18 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 57.25 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 99.99 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 97.58 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.562 ' HB2' HD13 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 43.88 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 30.1 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.573 HD12 HD22 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 99.67 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 31.81 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.79 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 29.1 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.645 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 36.6 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 38.08 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 65.72 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 99.99 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 83.21 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.661 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 40.89 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.452 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 38.89 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 66.65 110.586 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 32.91 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 14.84 109.827 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 26.52 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.431 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.0 tp-100 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 12.17 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 39.17 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.713 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' C' ' 86' ' ' ILE . 52.4 t . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.057 0.456 . . . . 99.99 111.676 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 81.7 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 68.22 110.306 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 85.73 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 52.77 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 18.22 111.862 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 62.78 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 20.21 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 17.97 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 10.09 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 18.56 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 31.03 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.433 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 26.09 112.862 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.455 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 21.24 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 14.3 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 10.17 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.606 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 12.08 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 54.79 109.891 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 23.93 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 27.3 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.408 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 36.76 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 44.0 110.935 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 92.07 107.327 168.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 43.42 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 64.09 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 45.54 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 40.22 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 98.11 109.128 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' D' ' 85' ' ' SER . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 79.57 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.514 HD11 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 99.99 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.629 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 81.0 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.578 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 28.79 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 14.92 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.464 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 58.5 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 14.63 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 15.53 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 6.05 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 14.28 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 16.78 112.543 -170.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 22.87 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 21.13 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 30.2 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 64.18 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.457 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 34.41 109.663 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 54.02 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 34.31 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.458 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 83.42 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 99.99 109.555 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 97.22 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 99.99 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 62.54 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 55.71 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 61.91 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.99 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 93.38 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 99.99 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 99.99 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 71.26 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 36.06 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 79.92 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 22.5 107.424 167.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 23.18 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.458 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 24.43 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 32.61 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 25.12 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 49.15 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 32.34 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 33.15 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.457 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 19.1 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.486 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 12.32 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 8.66 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 19.44 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 10.02 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 29.4 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.3 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 65.32 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.503 ' HA ' HG21 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 99.99 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.422 ' N ' HD11 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 99.99 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 99.99 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 99.99 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 70.12 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 64.46 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 46.86 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 45.41 114.1 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 38.42 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 87.71 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.514 HG21 HD11 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 35.35 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 21.86 111.746 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 12.38 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 8.42 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 15.0 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 17.35 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 12.17 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' D' ' 21' ' ' ILE . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.56 111.262 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.615 HD13 HD12 ' D' ' 128' ' ' LEU . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 19.17 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 19.58 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 14.23 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 6.04 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 19.19 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 16.36 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 7.12 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 35.79 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 27.88 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 17.97 111.458 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 33.77 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . 0.492 HD21 HD13 ' B' ' 16' ' ' ILE . 12.5 m120 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 99.99 109.587 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.615 HD12 HD13 ' D' ' 114' ' ' ILE . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 35.86 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 48.78 110.692 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 48.18 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 95.86 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . 0.493 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.037 0.446 . . . . 99.99 110.603 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.011 0.434 . . . . 99.99 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG23 HG13 ' A' ' 16' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD3' HD13 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 99.99 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 HG23 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 34.4 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.497 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 17.02 109.416 174.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 50.99 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 18.45 106.668 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 13.15 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 6.92 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 22.19 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 43.73 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HA ' ' HZ ' ' A' ' 123' ' ' PHE . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 63.88 113.608 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 73.6 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 99.99 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.723 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.816 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 50.91 109.708 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 67.81 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 99.99 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 81.17 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.23 109.918 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG12 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 75.11 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 32.98 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD22 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 27.21 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.816 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 28.74 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.723 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 35.81 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 19.33 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 29.68 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 25.47 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 80.58 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 99.99 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 40.21 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 30.66 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 59.79 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 30.86 108.455 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 20.96 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 21.28 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.497 HG13 ' HE1' ' A' ' 17' ' ' TYR . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 80.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.623 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.378 0.133 . . . . 99.99 111.225 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 99.99 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 99.99 111.813 -175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 79.06 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HD3' HG12 ' A' ' 58' ' ' VAL . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 59.39 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 99.99 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.426 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 83.34 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 42.55 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 17.98 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 13.2 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 36.0 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 15.85 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.554 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 19.0 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 5.43 111.322 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.602 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 18.83 109.863 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 22.63 111.882 -175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 6.65 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.602 ' HE1' ' HA ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 88.83 112.733 -173.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 51.92 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 39.96 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 11.33 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 32.89 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' HZ ' ' HA ' ' A' ' 28' ' ' ALA . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 19.39 109.09 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 30.18 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 90.79 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 93.81 113.009 -164.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 77.99 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.554 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 85.02 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.416 ' CE1' ' SG ' ' B' ' 102' ' ' CYS . 73.8 t80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.891 -0.041 . . . . 99.99 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 14.3 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 61.13 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 99.99 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 99.99 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 22.84 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 25.35 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 18.25 110.122 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 41.37 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.565 HD13 ' SG ' ' B' ' 113' ' ' CYS . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 15.07 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 29.37 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 11.41 107.242 167.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.511 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 27.88 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 86.9 m-20 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 51.27 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.426 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 99.99 111.276 -174.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 99.89 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 99.99 110.86 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.633 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 99.99 109.247 172.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 89.58 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 50.34 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 99.99 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 44.59 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 98.19 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 93.17 110.481 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 98.7 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.48 ' HB2' HD13 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 85.08 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 32.75 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 89.85 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.738 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 99.99 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 30.69 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 50.25 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.408 HG22 HD12 ' B' ' 114' ' ' ILE . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 27.1 109.207 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 27.69 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 28.91 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 82.69 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 84.99 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 91.81 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.569 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 39.53 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.483 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 37.29 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 21.12 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 29.86 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 13.61 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 13.23 110.229 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.738 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 36.68 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.553 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 12.8 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.416 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 51.05 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 99.99 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 99.23 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 99.99 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' B' ' 94' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.61 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.798 ' HB2' HG13 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 99.37 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 67.76 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 81.59 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.416 ' SG ' ' CE1' ' B' ' 11' ' ' PHE . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 55.65 111.855 -175.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 48.03 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 99.99 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 59.06 109.505 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 27.15 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 18.14 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 25.24 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 18.19 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 76.84 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' B' ' 21' ' ' ILE . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 28.75 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.554 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 30.1 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 17.12 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.81 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 50.71 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 23.64 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 49.99 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 33.79 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 28.26 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 39.05 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.652 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 99.99 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 99.99 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 64.44 110.082 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 75.43 111.078 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.99 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.238 0.459 0 N-CA-C 108.082 -1.081 . . . . 99.99 108.082 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.517 HG13 ' HD2' ' C' ' 84' ' ' PHE . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 82.71 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 99.99 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 17.72 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.555 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 9.52 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 51.3 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 13.13 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 15.89 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 10.19 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 26.52 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 43.6 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.671 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 57.64 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.465 ' HA ' ' HZ2' ' C' ' 34' ' ' LYS . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 78.76 113.413 -172.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.409 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 99.99 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 72.29 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 99.99 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 99.99 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.609 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 99.99 109.796 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 90.89 111.136 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 55.92 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 78.18 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 57.25 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 99.99 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 97.58 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.592 ' HB2' HD12 ' C' ' 51' ' ' LEU . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.438 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 43.88 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 30.1 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 99.67 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 31.81 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.609 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.79 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.565 HG21 HG23 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 29.1 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 36.6 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 38.08 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 65.72 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 99.99 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 83.21 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 40.89 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.731 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 38.89 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 66.65 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 32.91 106.633 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 14.84 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.78 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 26.52 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 8.3 tp-100 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 12.17 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.555 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 39.17 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.517 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 109.707 -0.479 . . . . 99.99 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 81.7 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 68.22 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 85.73 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 52.77 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 18.22 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 62.78 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 20.21 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 17.97 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 10.09 110.941 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 18.56 110.489 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 31.03 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.45 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 26.09 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.565 HG23 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 21.24 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' THR . . . . . 0.691 HG23 HE21 ' C' ' 125' ' ' GLN . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 14.3 112.0 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 10.17 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.546 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 12.08 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.406 HG21 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 54.79 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 23.93 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.423 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.51 HG21 ' HB3' ' D' ' 17' ' ' TYR . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 27.3 113.164 175.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 36.76 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 44.0 111.911 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.691 HE21 HG23 ' C' ' 115' ' ' THR . 12.7 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 92.07 107.702 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . 0.595 HD21 HG21 ' C' ' 115' ' ' THR . 0.1 OUTLIER -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 43.42 106.909 -176.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 64.09 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 45.54 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 40.22 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 98.11 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.69 0 CA-C-O 120.783 0.325 . . . . 99.99 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 79.57 108.519 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 99.99 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . 0.409 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 81.0 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.671 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 28.79 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 14.92 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 58.5 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.546 HG23 ' HE1' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 14.63 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 15.53 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 6.05 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 14.28 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 16.78 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 22.87 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 21.13 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 30.2 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 64.18 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.633 ' HZ1' ' HG2' ' D' ' 71' ' ' GLU . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 34.41 109.61 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 54.02 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 34.31 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 83.42 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 99.99 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 97.22 109.538 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 99.99 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 62.54 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 55.71 111.486 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 61.91 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 93.38 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.522 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 99.99 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 99.99 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 71.26 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.527 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 36.06 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 79.92 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.638 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.581 HG23 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 22.5 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 23.18 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 24.43 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 32.61 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 25.12 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.511 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 49.15 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 32.34 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 33.15 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.633 ' HG2' ' HZ1' ' D' ' 34' ' ' LYS . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 19.1 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.511 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 12.32 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 8.66 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 19.44 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.552 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 10.02 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.638 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 36.3 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 29.4 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.431 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.3 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 65.32 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.43 HG12 HD13 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 99.99 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.43 HD13 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.401 ' HA ' HD12 ' D' ' 89' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 99.99 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 99.99 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 70.12 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 64.46 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 46.86 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 45.41 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 38.42 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 87.71 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 35.35 109.78 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 21.86 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 12.38 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 8.42 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 15.0 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 17.35 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 12.17 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . 0.423 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.56 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.426 ' O ' HG23 ' D' ' 118' ' ' VAL . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 19.17 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 19.58 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 14.23 110.494 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.552 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 6.04 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 19.19 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 16.36 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 7.12 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 35.79 112.162 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 27.88 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 17.97 111.627 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 33.77 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 99.99 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.4 HD12 HD13 ' D' ' 114' ' ' ILE . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 35.86 111.66 -168.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 48.78 110.702 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 48.18 113.506 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 95.86 110.396 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . 0.594 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.502 ' HE3' HD23 ' C' ' 42' ' ' LEU . 72.9 t-105 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.877 -0.416 . . . . 99.99 109.877 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 110.036 -0.357 . . . . 99.99 110.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 99.99 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 34.4 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 17.02 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 50.99 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 18.45 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 13.15 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 6.92 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 22.19 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 43.73 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.703 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HG2' HG21 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 11.3 m170 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HZ3' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 63.88 112.933 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 73.6 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 99.99 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 50.91 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 67.81 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 99.99 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 81.17 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.23 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 75.11 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 32.98 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 27.21 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 28.74 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 35.81 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 19.33 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 29.68 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 25.47 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 80.58 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 99.99 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 40.21 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 30.66 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 59.79 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 30.86 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 20.96 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 21.28 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 80.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 46' ' ' THR . 6.7 mp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.449 -0.204 . . . . 99.99 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 99.99 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 99.99 112.086 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 79.06 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 59.39 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 99.99 111.921 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 83.34 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 42.55 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 17.98 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 13.2 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 36.0 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 15.85 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 19.0 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 5.43 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.511 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 18.83 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 22.63 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 6.65 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.462 ' SD ' HG22 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 88.83 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 51.92 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 39.96 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 11.33 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.423 HG22 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 32.89 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 19.39 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 30.18 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 90.79 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 93.81 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 77.99 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 85.02 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.527 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 99.99 108.506 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.452 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 61.13 107.624 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.544 HE22 HG12 ' B' ' 55' ' ' VAL . 51.5 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 99.99 111.097 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HE ' HG22 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 99.99 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 22.84 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 25.35 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 18.25 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' B' ' 57' ' ' GLU . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 41.37 111.878 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.571 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 15.07 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 29.37 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 11.41 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 27.88 107.757 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.442 ' O ' HG11 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 51.27 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.442 HG11 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.597 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.673 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 99.99 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.417 HG13 HD12 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 99.89 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 99.99 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.59 HD21 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 99.99 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.673 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 89.58 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 50.34 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 99.99 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 44.59 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 98.19 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 93.17 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.544 HG12 HE22 ' B' ' 14' ' ' GLN . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 98.7 108.143 175.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 99.99 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 85.08 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 32.75 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.59 HD21 HD21 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 89.85 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 99.99 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 30.69 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 50.25 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.451 HG21 HD12 ' B' ' 114' ' ' ILE . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 27.1 110.067 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 27.69 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 28.91 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 82.69 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 84.99 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 91.81 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 39.53 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.414 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 37.29 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 21.12 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 29.86 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 13.61 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.417 HG21 HD12 ' B' ' 21' ' ' ILE . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 13.23 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.527 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 36.68 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.458 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 12.8 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 51.05 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 99.23 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 99.99 110.329 -169.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.643 ' HE1' HD21 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.656 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 99.37 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 67.76 112.553 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 81.59 111.967 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 55.65 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 48.03 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . 0.613 ' HB2' HD22 ' B' ' 132' ' ' ASN . 47.7 t-20 -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 99.99 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.478 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 59.06 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' B' ' 80' ' ' GLN . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 27.15 111.919 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 18.14 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 25.24 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 18.19 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 76.84 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 28.75 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.661 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 30.1 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 17.12 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.81 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 50.71 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.465 HG21 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 23.64 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 49.99 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 17' ' ' TYR . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 33.79 112.813 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 28.26 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 39.05 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.582 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.417 HD12 HG13 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 99.99 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 99.99 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.602 HD12 HD13 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 99.99 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 64.44 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 75.43 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.99 111.221 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . 0.613 HD22 ' HB2' ' B' ' 104' ' ' ASN . 14.5 m120 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' C' ' 84' ' ' PHE . 46.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 82.71 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 99.99 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.495 HG22 HD23 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 17.72 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 9.52 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 51.3 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.605 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 13.13 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 15.89 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 10.19 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 26.52 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 43.6 111.537 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 57.64 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 78.76 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.449 ' HG3' HD13 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 99.99 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 72.29 110.09 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 99.99 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 99.99 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 99.99 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 90.89 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 55.92 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 78.18 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 57.25 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.535 HD13 HD13 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 99.99 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 97.58 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 43.88 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 30.1 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.543 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 99.67 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 31.81 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.679 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.79 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 29.1 108.115 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.441 HG21 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 36.6 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 38.08 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 65.72 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.504 HD21 ' H ' ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 83.21 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 40.89 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 38.89 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 66.65 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.441 HD23 HG21 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 32.91 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.541 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 14.84 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 26.52 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 12.17 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 39.17 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.981 0.42 . . . . 99.99 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 81.7 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 68.22 110.796 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.48 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 85.73 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 52.77 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . 0.591 HD22 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.445 HD13 ' NH1' ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 18.22 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.543 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 62.78 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 20.21 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 17.97 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 10.09 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 18.56 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 31.03 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.458 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 26.09 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.443 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 21.24 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 14.3 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 10.17 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.56 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 12.08 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 54.79 109.652 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 23.93 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.473 HG21 ' HB3' ' D' ' 17' ' ' TYR . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 27.3 112.608 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 36.76 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 44.0 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.498 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 92.07 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 43.42 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 64.09 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 45.54 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 40.22 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 98.11 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . 0.591 ' HB2' HD22 ' C' ' 104' ' ' ASN . 44.5 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.403 -0.962 . . . . 99.99 108.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.422 ' HD2' HG21 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 79.57 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 99.99 110.888 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.451 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 81.0 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.473 ' HB3' HG21 ' C' ' 122' ' ' THR . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 28.79 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 14.92 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 58.5 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.56 HG23 ' HE1' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 14.63 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 15.53 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.605 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 6.05 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 14.28 108.433 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 16.78 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 22.87 113.745 -170.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' C' ' 83' ' ' ILE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 21.13 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 30.2 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 64.18 113.187 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.536 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 34.41 109.575 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 54.02 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . 0.477 HE21 ' HD2' ' D' ' 38' ' ' PRO . 33.2 tp60 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.477 ' HD2' HE21 ' D' ' 37' ' ' GLN . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 34.31 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 83.42 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 99.99 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.508 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 97.22 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.584 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 99.99 109.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 62.54 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 55.71 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 61.91 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.99 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 93.38 108.766 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 99.99 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 99.99 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 71.26 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 36.06 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 79.92 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.584 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 22.5 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 23.18 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 24.43 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 32.61 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . 0.457 ' HB2' HG11 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 25.12 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.452 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 49.15 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 32.34 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 33.15 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 19.1 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.452 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 12.32 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 8.66 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 19.44 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 10.02 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 29.4 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.3 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . 0.428 ' HA3' HG21 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 65.32 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 99.99 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.422 HG21 ' HD2' ' D' ' 11' ' ' PHE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 99.99 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.525 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.525 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 99.99 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 99.99 111.962 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.63 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 70.12 113.885 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 64.46 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 46.86 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 45.41 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 38.42 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 87.71 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 35.35 110.978 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 21.86 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 12.38 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 8.42 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 15.0 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . 0.414 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 17.35 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 12.17 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.56 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.503 HG21 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 19.17 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 19.58 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 14.23 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.445 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 6.04 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 19.19 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 16.36 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 7.12 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 35.79 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 27.88 113.083 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 17.97 111.819 -172.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 33.77 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 99.99 108.679 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.516 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 35.86 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 48.78 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.466 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 48.18 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 95.86 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . 0.694 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 . . . . . 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.41 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.621 0.724 . . . . 99.99 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.422 HD11 ' N ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 99.99 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 34.4 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' B' ' 122' ' ' THR . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 ' NE2' ' A' ' 80' ' ' GLN . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 17.02 107.845 169.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 50.99 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.655 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 18.45 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 13.15 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 6.92 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 22.19 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 43.73 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 63.88 111.582 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 65' ' ' THR . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 73.6 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 99.99 107.699 -173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.685 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 50.91 109.829 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 67.81 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 99.99 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 81.17 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.591 ' HB2' HD13 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.23 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 75.11 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 32.98 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 27.21 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 28.74 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.685 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 35.81 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 19.33 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 29.68 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 25.47 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 80.58 109.96 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 99.99 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 40.21 111.331 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 30.66 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 59.79 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 30.86 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.48 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 20.96 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.655 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 18' ' ' THR . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 21.28 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 80.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.41 ' HB2' HG22 ' A' ' 58' ' ' VAL . 1.2 pp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 99.99 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 99.99 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 79.06 112.132 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' HG12 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 59.39 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 99.99 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 83.34 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 42.55 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 17.98 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 13.2 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 36.0 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 15.85 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.414 HH12 HD11 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 19.0 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 5.43 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 18.83 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.409 HG21 ' HE2' ' C' ' 109' ' ' TYR . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 22.63 111.254 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 6.65 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 88.83 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 51.92 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 39.96 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 11.33 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.532 HG23 ' NE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 32.89 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 19.39 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 30.18 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 90.79 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 93.81 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 77.99 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 85.02 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' B' ' 85' ' ' SER . 45.0 p90 . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 99.99 112.432 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.441 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 61.13 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 99.99 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.532 ' NE ' HG23 ' A' ' 122' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 99.99 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 22.84 108.092 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 25.35 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 18.25 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 41.37 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 15.07 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 29.37 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 11.41 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 27.88 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.484 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 46.1 m-80 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 51.27 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' B' ' 31' ' ' VAL . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 99.99 110.553 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.577 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 99.89 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.587 HD23 HG13 ' B' ' 62' ' ' VAL . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 99.99 108.689 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 89.58 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.566 ' HB2' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 50.34 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 99.99 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 44.59 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 98.19 109.307 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 93.17 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.452 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 98.7 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.594 ' HB2' HD13 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 99.99 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 85.08 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 32.75 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 89.85 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 99.99 109.389 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.587 HG13 HD23 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 30.69 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 50.25 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 27.1 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 27.69 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 28.91 110.412 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.469 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 82.69 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 84.99 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 91.81 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 39.53 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.469 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 37.29 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 21.12 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 29.86 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 13.61 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.494 ' HA ' HD11 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 13.23 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 36.68 107.526 166.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 12.8 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 51.05 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.498 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 99.99 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 99.23 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' B' ' 56' ' ' TYR . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 99.99 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.669 ' HA ' HD11 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 99.37 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 67.76 111.971 172.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 81.59 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 55.65 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 48.03 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 99.99 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 59.06 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 27.15 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 18.14 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . 0.402 ' HE2' HG22 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 25.24 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 18.19 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 76.84 110.928 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 28.75 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 30.1 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 17.12 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.81 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 50.71 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 23.64 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.468 ' HA ' HE21 ' C' ' 125' ' ' GLN . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 49.99 113.127 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 17' ' ' TYR . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 33.79 112.195 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 28.26 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 39.05 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 99.99 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 99.99 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 99.99 111.903 -175.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 64.44 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.551 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 75.43 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.99 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.534 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 109.233 -0.654 . . . . 99.99 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 82.71 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 99.99 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.404 HG23 ' N ' ' C' ' 17' ' ' TYR . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 17.72 107.512 168.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.404 ' N ' HG23 ' C' ' 16' ' ' ILE . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 9.52 108.81 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 51.3 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.713 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 13.13 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 15.89 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 10.19 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 26.52 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 43.6 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.685 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 57.64 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.543 HG23 ' HZ2' ' C' ' 34' ' ' LYS . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 78.76 111.569 -172.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 99.99 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 72.29 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 99.99 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.408 ' H ' HD21 ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 99.99 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 99.99 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 90.89 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 55.92 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 78.18 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 57.25 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.457 HD13 HD13 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 99.99 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 97.58 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . 0.435 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 43.88 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 30.1 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 99.67 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 31.81 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.79 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 29.1 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 36.6 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 38.08 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 65.72 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 99.99 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 83.21 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.717 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 40.89 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 38.89 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 66.65 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.431 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 32.91 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG21 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 14.84 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.713 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 26.52 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 12.17 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' D' ' 29' ' ' PRO . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 39.17 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.554 0.216 . . . . 99.99 111.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 81.7 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 68.22 111.618 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.45 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 85.73 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 52.77 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 101' ' ' TYR . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 18.22 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.458 HD23 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 62.78 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 20.21 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 17.97 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.409 ' HE2' HG21 ' A' ' 115' ' ' THR . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 10.09 110.358 178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 18.56 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 31.03 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 26.09 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.473 HG21 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 21.24 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' THR . . . . . 0.514 HG22 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 14.3 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 10.17 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.579 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 12.08 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 54.79 110.308 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 23.93 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.55 HG21 ' HB3' ' D' ' 17' ' ' TYR . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 27.3 112.505 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 36.76 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 44.0 111.295 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.514 ' HB2' HG22 ' C' ' 115' ' ' THR . 0.0 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.605 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 92.07 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . 0.425 HD22 HG21 ' C' ' 115' ' ' THR . 15.3 m120 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 43.42 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 64.09 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 45.54 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 40.22 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . 0.469 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 98.11 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.21 0.052 . . . . 99.99 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' D' ' 85' ' ' SER . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 79.57 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.538 HD12 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . 0.413 HE21 HG23 ' D' ' 83' ' ' ILE . 45.2 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 99.99 112.345 -172.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 81.0 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.685 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 28.79 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 14.92 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 58.5 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 14.63 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 15.53 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 6.05 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 14.28 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 16.78 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' D' ' 72' ' ' THR . 68.7 m-20 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 22.87 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.573 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 21.13 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 30.2 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 64.18 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 34.41 108.237 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 54.02 109.364 171.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . 0.597 HE21 ' HG3' ' D' ' 124' ' ' PRO . 1.7 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 34.31 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.557 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 83.42 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 99.99 106.747 170.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 97.22 112.311 -163.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 99.99 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 62.54 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 55.71 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 61.91 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 93.38 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 99.99 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.447 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 99.99 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' D' ' 97' ' ' CYS . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.54 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 71.26 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 36.06 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 79.92 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 22.5 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 23.18 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 24.43 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 32.61 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 25.12 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.452 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 49.15 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 32.34 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 33.15 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.44 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 72' ' ' THR . . . . . 0.415 ' HB ' ' ND2' ' D' ' 27' ' ' ASN . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 19.1 111.782 -175.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.485 ' HA ' HG13 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 12.32 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 8.66 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 19.44 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.591 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 10.02 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 29.4 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.42 ' HG3' HD23 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.3 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.413 HG23 HE21 ' D' ' 14' ' ' GLN . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 65.32 109.403 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 99.99 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.55 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 99.99 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 99.99 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . 0.478 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 99.99 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.54 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 70.12 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 64.46 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 46.86 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 45.41 111.842 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 38.42 114.071 167.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 87.71 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.538 HG21 HD12 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 35.35 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 21.86 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 12.38 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 8.42 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 15.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 17.35 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 12.17 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.56 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.596 HD13 HD12 ' D' ' 128' ' ' LEU . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 19.17 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 115' ' ' THR . . . . . 0.402 HG22 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 19.58 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 14.23 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.43 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 6.04 111.662 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 19.19 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 16.36 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 7.12 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 35.79 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.597 ' HG3' HE21 ' D' ' 37' ' ' GLN . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 27.88 112.21 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 17.97 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 33.77 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 99.99 109.836 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.596 HD12 HD13 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 35.86 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 48.78 111.407 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.404 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 48.18 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 95.86 110.291 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.605 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 120.965 0.412 . . . . 99.99 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.734 -0.469 . . . . 99.99 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 34.4 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB3' HG23 ' B' ' 122' ' ' THR . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 17.02 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 50.99 110.295 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 18.45 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 13.15 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 6.92 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 22.19 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 43.73 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.64 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 75.3 m-70 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 63.88 115.304 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 73.6 109.714 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 99.99 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 50.91 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 67.81 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 99.99 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 81.17 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 83' ' ' ILE . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.23 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.647 HG13 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 75.11 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 32.98 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 27.21 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 28.74 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.528 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 35.81 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 19.33 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 29.68 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 25.47 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 80.58 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 99.99 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 40.21 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 30.66 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 59.79 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 30.86 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.447 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 20.96 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 21.28 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.434 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 80.87 107.949 173.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.569 1.677 0 N-CA-C 114.599 1.333 . . . . 99.99 114.599 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 99.99 114.32 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 99.99 111.463 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 79.06 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.647 ' HD3' HG13 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 59.39 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 99.99 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 83.34 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.434 HD22 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 42.55 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 17.98 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 13.2 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.499 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 36.0 111.093 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 15.85 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.572 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 19.0 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 5.43 111.012 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 18.83 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 22.63 110.809 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 6.65 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.442 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 88.83 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 51.92 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 39.96 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 11.33 110.357 173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 32.89 109.713 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 19.39 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 30.18 113.404 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 90.79 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.443 HD21 HD13 ' C' ' 16' ' ' ILE . 6.6 m120 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 93.81 111.611 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 77.99 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.572 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 85.02 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.264 0.554 . . . . 99.99 112.21 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.474 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 61.13 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 99.99 111.052 -176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 22.84 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 25.35 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 18.25 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 41.37 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 15.07 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 29.37 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 11.41 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.459 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 27.88 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 51.27 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.57 ' O ' HG13 ' B' ' 31' ' ' VAL . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.57 HG13 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 99.99 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 99.89 112.134 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 99.99 110.109 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.65 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 99.99 107.357 173.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 89.58 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 50.34 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 99.99 111.864 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 44.59 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 98.19 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 93.17 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 98.7 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 99.99 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 85.08 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 32.75 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 89.85 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.615 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 99.99 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 30.69 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 50.25 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.625 HG22 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 27.1 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 27.69 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 28.91 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 82.69 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 84.99 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 91.81 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 39.53 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 37.29 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 21.12 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 29.86 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 13.61 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.479 HG12 HD11 ' B' ' 21' ' ' ILE . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 13.23 109.843 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.615 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 36.68 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 12.8 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.404 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 51.05 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 99.99 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 99.23 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 99.99 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.557 HD13 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.414 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.557 ' SG ' HD13 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 99.37 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 67.76 113.859 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 81.59 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.453 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 55.65 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 48.03 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 99.99 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 59.06 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 27.15 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 18.14 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 25.24 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 18.19 110.972 178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.753 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 76.84 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.544 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 28.75 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 30.1 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 17.12 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.81 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 50.71 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 23.64 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' C' ' 125' ' ' GLN . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 49.99 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 17' ' ' TYR . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 33.79 112.813 173.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 28.26 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 39.05 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HA ' HG13 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 99.99 106.849 165.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 99.99 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.753 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 99.99 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 64.44 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.651 ' HG3' ' HH ' ' D' ' 109' ' ' TYR . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 75.43 111.965 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.99 108.686 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.593 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.596 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 82.71 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 99.99 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.443 HD13 HD21 ' A' ' 127' ' ' ASN . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 17.72 107.72 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.471 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 9.52 107.695 169.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 51.3 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 13.13 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 15.89 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 10.19 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . 0.517 ' HB3' ' HB1' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 26.52 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 43.6 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 57.64 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.645 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 78.76 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 99.99 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 72.29 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.488 HG21 HD12 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 99.99 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 99.99 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 99.99 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 90.89 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 55.92 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 78.18 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 57.25 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 99.99 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.455 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 97.58 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 43.88 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 30.1 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 99.67 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 31.81 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.79 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.572 HG23 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 29.1 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 36.6 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 38.08 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 65.72 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 83.21 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 40.89 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 38.89 109.248 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 66.65 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.401 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 32.91 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.401 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 14.84 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.835 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 26.52 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.477 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 12.17 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.518 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 39.17 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.4 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.353 0.12 . . . . 99.99 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 81.7 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 68.22 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.596 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.409 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 85.73 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.432 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 52.77 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 18.22 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.518 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 62.78 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 20.21 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 17.97 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 10.09 110.959 -176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 18.56 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.404 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 31.03 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' C' ' 21' ' ' ILE . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 26.09 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 21.24 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 14.3 111.392 -177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 10.17 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.578 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 12.08 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.403 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 54.79 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' SER . . . . . 0.683 ' HB3' HE22 ' C' ' 125' ' ' GLN . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 23.93 111.33 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 27.3 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 36.76 109.566 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . 0.466 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 44.0 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.683 HE22 ' HB3' ' C' ' 119' ' ' SER . 14.5 mm-40 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.488 HD12 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 92.07 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . 0.404 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 43.42 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.458 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 64.09 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 45.54 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.499 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 40.22 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 98.11 108.964 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . 0.432 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 . . . . . 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 79.57 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.46 HD11 HG22 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 99.99 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 81.0 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' C' ' 28' ' ' ALA . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 28.79 109.908 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 14.92 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 58.5 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.578 HG23 ' HE1' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 14.63 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 15.53 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 6.05 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 14.28 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 16.78 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 22.87 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 21.13 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 30.2 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 64.18 112.206 -169.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.488 ' HZ1' ' HG2' ' D' ' 71' ' ' GLU . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 34.41 110.303 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 54.02 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 34.31 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.539 HG21 HD13 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 83.42 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.48 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.539 HD13 HG21 ' D' ' 40' ' ' VAL . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 99.99 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 97.22 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 99.99 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 62.54 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 55.71 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 61.91 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.99 109.545 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.535 HD21 ' H ' ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 93.38 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 99.99 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.671 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 99.99 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.601 HG13 HD13 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 71.26 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.414 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 36.06 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 79.92 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.506 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 22.5 108.656 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 23.18 109.422 172.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.525 HG22 HD11 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 24.43 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 32.61 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 25.12 108.874 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 49.15 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 32.34 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 33.15 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' HZ1' ' D' ' 34' ' ' LYS . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 19.1 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 12.32 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 8.66 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 19.44 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 10.02 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.708 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 29.4 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.3 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 65.32 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 99.99 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.422 ' H ' HD11 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 99.99 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.481 ' HB2' HD11 ' D' ' 89' ' ' ILE . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . 0.418 ' HB1' ' SD ' ' D' ' 94' ' ' MET . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 99.99 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 99.99 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.427 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 70.12 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 64.46 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 46.86 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 45.41 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 38.42 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 87.71 111.842 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.46 HG22 HD11 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 35.35 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.601 HD13 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 21.86 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 12.38 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 8.42 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . 0.651 ' HH ' ' HG3' ' B' ' 130' ' ' PRO . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 15.0 112.021 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 17.35 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.671 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 12.17 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.56 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.525 HD11 HG22 ' D' ' 64' ' ' VAL . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 19.17 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 19.58 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 14.23 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.561 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 6.04 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 19.19 110.163 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 16.36 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 7.12 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 35.79 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 27.88 112.881 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 17.97 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 33.77 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 99.99 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 35.86 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 48.78 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.671 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 48.18 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 95.86 108.119 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.458 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.741 0.305 . . . . 99.99 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.47 -0.196 . . . . 99.99 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 99.99 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 34.4 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' B' ' 122' ' ' THR . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 17.02 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 50.99 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.554 HD13 ' SD ' ' B' ' 117' ' ' MET . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 18.45 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 13.15 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 6.92 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 22.19 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 43.73 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 16.9 m-70 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.76 HG11 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.672 ' HA ' HD12 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 63.88 113.209 175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 73.6 109.804 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 99.99 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.57 HD23 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 50.91 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 67.81 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 99.99 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 81.17 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.23 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 75.11 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.69 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 32.98 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 27.21 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 28.74 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.701 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 35.81 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 19.33 108.473 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 29.68 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 25.47 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 80.58 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 HG11 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 99.99 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 40.21 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 30.66 110.074 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.52 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 59.79 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 30.86 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 20.96 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 21.28 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 80.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 119.862 -0.113 . . . . 99.99 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.544 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 99.99 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 99.99 112.932 -169.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 79.06 112.979 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.75 ' HD3' HG13 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 59.39 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 99.99 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 83.34 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 42.55 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 17.98 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 13.2 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.431 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 36.0 111.077 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 15.85 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 19.0 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 5.43 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 18.83 112.263 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 22.63 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 6.65 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 88.83 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 51.92 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 39.96 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 11.33 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 32.89 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 19.39 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 30.18 111.925 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.52 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 90.79 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.589 HD11 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 93.81 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 77.99 112.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 85.02 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.57 HG11 HD23 ' A' ' 44' ' ' LEU . 42.1 t . . . . . 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 99.99 107.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 61.13 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 99.99 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 99.99 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 22.84 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 25.35 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 18.25 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 41.37 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 15.07 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 29.37 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.511 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 11.41 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 27.88 106.857 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 51.27 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.492 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.549 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 99.99 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HA ' HD21 ' B' ' 68' ' ' LEU . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.599 HG23 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 99.89 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 99.99 109.562 172.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 99.99 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.682 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 89.58 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 50.34 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 99.99 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 44.59 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 98.19 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 93.17 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 98.7 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.531 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 99.99 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 85.08 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 32.75 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 89.85 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 99.99 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 30.69 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 50.25 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.506 HG22 HD12 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 27.1 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 27.69 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 28.91 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 82.69 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' B' ' 38' ' ' PRO . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 84.99 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 91.81 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.409 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 39.53 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 37.29 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 21.12 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 29.86 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 13.61 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.455 ' HA ' HD11 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 13.23 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 36.68 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.432 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 12.8 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 51.05 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 99.99 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 99.23 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 99.99 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.531 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.43 ' HG2' HD13 ' B' ' 98' ' ' LEU . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.43 HD13 ' HG2' ' B' ' 94' ' ' MET . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 99.37 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 67.76 114.238 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 81.59 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 55.65 112.185 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 48.03 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 59.06 110.403 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 27.15 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 18.14 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 25.24 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.435 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 18.19 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 76.84 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 28.75 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.506 HD12 HG22 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 30.1 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 17.12 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.81 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.554 ' SD ' HD13 ' A' ' 21' ' ' ILE . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 50.71 109.54 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 23.64 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 49.99 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.485 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 17' ' ' TYR . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 33.79 111.607 176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . 0.492 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 28.26 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 39.05 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 99.99 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 99.99 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 99.99 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 64.44 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 75.43 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.99 109.574 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.333 -0.618 . . . . 99.99 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 82.71 106.934 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.418 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 99.99 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 17.72 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 9.52 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 51.3 108.515 170.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 13.13 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 15.89 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 10.19 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 26.52 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 43.6 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 57.64 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 78.76 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 99.99 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.495 ' HA ' ' HG ' ' C' ' 68' ' ' LEU . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 72.29 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.573 HG13 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 99.99 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 99.99 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.486 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 90.89 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 55.92 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 78.18 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 57.25 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 99.99 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.429 HG22 ' HG ' ' C' ' 85' ' ' SER . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 97.58 108.415 174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.591 ' HB2' HD13 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 43.88 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 30.1 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.548 HD22 HD11 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 99.67 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 31.81 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.79 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.498 HG21 HD22 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 29.1 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 36.6 109.683 -175.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 38.08 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 65.72 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' C' ' 38' ' ' PRO . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 99.99 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 83.21 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 40.89 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' C' ' 68' ' ' LEU . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 38.89 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 66.65 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.416 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 32.91 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 14.84 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 26.52 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.466 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.2 tp-100 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 12.17 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 39.17 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.435 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.435 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.224 0.083 . . . . 99.99 111.224 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 81.7 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 68.22 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 85.73 112.632 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 52.77 113.893 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 18.22 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.548 HD11 HD22 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 62.78 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 20.21 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . 0.468 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 17.97 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 10.09 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 18.56 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 31.03 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 26.09 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.552 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 21.24 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 14.3 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 10.17 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.546 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 12.08 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.52 HG23 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 54.79 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' SER . . . . . 0.403 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 23.93 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 27.3 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 36.76 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 44.0 112.518 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.573 HD11 HG13 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 92.07 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 43.42 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.598 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 64.09 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 45.54 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.431 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 40.22 113.332 175.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 98.11 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.507 ' HD2' HG23 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 79.57 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 99.99 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 81.0 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 28.79 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 14.92 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 58.5 110.843 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.546 HG23 ' HE1' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 14.63 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 15.53 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 6.05 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 14.28 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 16.78 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 22.87 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 21.13 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 30.2 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 64.18 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 34.41 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 54.02 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 34.31 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 83.42 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 99.99 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 97.22 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.439 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 99.99 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 62.54 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 55.71 109.789 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 61.91 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.99 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 93.38 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 99.99 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 99.99 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.462 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 71.26 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 36.06 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.466 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 79.92 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.466 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 22.5 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.482 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 23.18 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 24.43 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 32.61 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 25.12 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 49.15 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 32.34 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 33.15 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 19.1 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' D' ' 31' ' ' VAL . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 12.32 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 8.66 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 19.44 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . 0.482 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 10.02 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 29.4 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.3 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 65.32 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 99.99 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' D' ' 11' ' ' PHE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 99.99 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.494 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 99.99 112.162 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 99.99 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.722 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 70.12 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 64.46 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 46.86 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.722 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 45.41 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 38.42 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 0.8 OUTLIER -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 87.71 111.003 177.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 35.35 110.762 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 21.86 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 12.38 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 8.42 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 15.0 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 17.35 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.538 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 12.17 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.56 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.448 HG22 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 19.17 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 115' ' ' THR . . . . . 0.465 HG21 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 19.58 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 14.23 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.575 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 6.04 111.675 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 19.19 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 16.36 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 7.12 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 35.79 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.457 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 27.88 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 17.97 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 33.77 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 99.99 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.473 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 35.86 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 48.78 109.514 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.538 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 48.18 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 95.86 111.01 -168.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 99.99 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 34.4 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' B' ' 122' ' ' THR . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 17.02 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 50.99 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.569 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 18.45 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 13.15 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 6.92 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 22.19 109.158 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 43.73 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 63.88 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 73.6 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 99.99 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 50.91 108.95 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 67.81 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 81.17 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 83' ' ' ILE . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.23 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 75.11 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.532 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 32.98 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 27.21 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 28.74 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.506 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 35.81 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG12 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 19.33 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 29.68 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 25.47 106.928 172.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 80.58 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 99.99 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 40.21 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 30.66 110.56 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 59.79 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 30.86 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 20.96 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.631 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 21.28 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 51' ' ' LEU . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 80.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 111.774 0.287 . . . . 99.99 111.774 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 99.99 111.825 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 99.99 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 79.06 112.563 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 59.39 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 99.99 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 83.34 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.502 HD22 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 42.55 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 17.98 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 13.2 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 36.0 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 15.85 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 19.0 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.425 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 5.43 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 18.83 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.431 HG22 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 22.63 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 6.65 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 88.83 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 51.92 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 39.96 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 11.33 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 32.89 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 19.39 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 30.18 114.634 175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.478 HD21 HG12 ' A' ' 64' ' ' VAL . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 90.79 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 128' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 93.81 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 77.99 111.632 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 85.02 112.908 -169.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 44' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.547 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 99.99 109.496 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 61.13 107.17 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 99.99 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 99.99 110.333 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.535 HG21 ' CD1' ' B' ' 109' ' ' TYR . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 22.84 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 25.35 111.687 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.413 HG23 HD13 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 18.25 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 41.37 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' B' ' 113' ' ' CYS . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 15.07 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 29.37 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 11.41 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 27.88 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 51.27 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.491 ' CB ' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.444 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 99.99 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 99.89 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 99.99 110.602 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.708 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 99.99 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 89.58 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 50.34 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 99.99 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 44.59 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 98.19 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.43 HD12 HG22 ' B' ' 83' ' ' ILE . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 93.17 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 98.7 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.479 HG22 HD21 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 85.08 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 32.75 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 89.85 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.434 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 99.99 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 30.69 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.708 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 50.25 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 27.1 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 27.69 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 28.91 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 82.69 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 84.99 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 91.81 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 39.53 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 37.29 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 21.12 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 29.86 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 13.61 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.492 HG21 HD12 ' B' ' 21' ' ' ILE . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 13.23 109.839 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 36.68 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 12.8 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 51' ' ' LEU . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 51.05 107.484 172.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.691 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 99.99 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 99.23 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 99.99 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' HE1' ' B' ' 94' ' ' MET . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.509 ' HE1' ' HA ' ' B' ' 90' ' ' GLU . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.44 ' HB3' HD11 ' B' ' 98' ' ' LEU . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.523 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 99.37 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 67.76 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 81.59 111.735 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.547 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 55.65 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 48.03 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 99.99 112.044 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 59.06 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.457 HD23 HG22 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 27.15 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 18.14 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . 0.556 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 25.24 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 18.19 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 76.84 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 28.75 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 30.1 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' THR . . . . . 0.413 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 17.12 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.81 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 50.71 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.401 HG21 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 23.64 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 49.99 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.427 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 17' ' ' TYR . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 33.79 111.287 177.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 28.26 109.489 172.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 39.05 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.533 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.413 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 99.99 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 99.99 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 99.99 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 64.44 111.898 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 75.43 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.99 109.574 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.417 ' HB2' HG23 ' C' ' 86' ' ' ILE . 28.7 p90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.594 HD13 ' HH ' ' C' ' 101' ' ' TYR . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 82.71 108.372 172.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 99.99 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 17.72 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 9.52 109.673 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 51.3 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.785 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.553 HD11 ' HG2' ' D' ' 117' ' ' MET . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 13.13 106.14 173.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 15.89 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 10.19 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 26.52 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 43.6 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.495 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' HZ3' ' D' ' 19' ' ' LYS . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 57.64 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.55 HG23 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 78.76 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.45 ' HD3' HD22 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 99.99 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 72.29 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 99.99 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 99.99 109.742 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 99.99 107.627 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 90.89 110.328 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.413 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 55.92 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 78.18 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 57.25 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.567 HD13 HD13 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 99.99 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 97.58 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 43.88 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 30.1 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 99.67 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.627 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.501 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 31.81 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.79 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.589 HG23 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 29.1 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 36.6 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 38.08 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 65.72 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.45 HD22 ' HD3' ' C' ' 34' ' ' LYS . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 99.99 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 83.21 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 40.89 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 38.89 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 66.65 111.953 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 32.91 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' C' ' 23' ' ' PHE . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' HG1' ' C' ' 63' ' ' THR . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 14.84 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.785 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 44.2 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 26.52 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 12.17 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.567 HD13 HD13 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 39.17 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 81.7 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 68.22 111.296 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.594 ' HH ' HD13 ' C' ' 13' ' ' ILE . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 85.73 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.56 ' HB3' HD23 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 52.77 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 18.22 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 62.78 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 20.21 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 17.97 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.431 ' HE2' HG22 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 10.09 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 18.56 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 31.03 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.427 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 26.09 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.589 HG21 HG23 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 21.24 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 14.3 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 10.17 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.727 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 12.08 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 54.79 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 23.93 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 27.3 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.55 ' HE1' HG23 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 36.76 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . 0.435 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 44.0 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.533 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.43 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 92.07 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 43.42 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.585 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 64.09 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 45.54 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 40.22 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 98.11 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 37.6 m . . . . . 0 C--O 1.235 0.341 0 N-CA-C 107.596 -1.261 . . . . 99.99 107.596 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 79.57 108.557 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 99.99 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.41 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 81.0 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.495 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 28.79 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 14.92 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.485 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 58.5 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.727 HG21 ' HE1' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 14.63 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 15.53 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.587 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 6.05 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 14.28 107.727 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 16.78 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 22.87 113.852 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.402 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 21.13 113.12 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 30.2 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 64.18 113.399 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 34.41 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 54.02 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.419 ' O ' HG13 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 34.31 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.433 HG12 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 83.42 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.71 ' HB3' HG12 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 97.22 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 99.99 108.926 172.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 62.54 108.731 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.42 ' HB3' HG21 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 55.71 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 61.91 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.99 109.251 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 93.38 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 99.99 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 99.99 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' D' ' 98' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 71.26 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 36.06 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 79.92 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 22.5 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.557 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 23.18 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 24.43 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 32.61 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 25.12 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.422 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 49.15 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 32.34 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 33.15 112.256 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 19.1 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.422 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 12.32 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 8.66 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 19.44 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.555 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . 0.437 HG22 HG13 ' D' ' 114' ' ' ILE . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 10.02 110.01 -176.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.636 ' HG3' HG12 ' D' ' 59' ' ' VAL . 28.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 29.4 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.439 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.3 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 65.32 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' D' ' 10' ' ' THR . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 99.99 109.963 -170.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 99.99 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 99.99 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 70.12 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 64.46 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 46.86 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 45.41 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 38.42 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 87.71 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 35.35 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 21.86 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 12.38 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 8.42 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 15.0 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 17.35 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 12.17 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . 0.556 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.56 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.554 HD12 HD12 ' D' ' 128' ' ' LEU . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 19.17 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 19.58 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 14.23 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.555 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 6.04 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 19.19 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 16.36 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.465 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 7.12 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 35.79 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 27.88 110.926 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 17.97 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.433 HD13 HG12 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 33.77 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 99.99 109.565 168.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.554 HD12 HD12 ' D' ' 114' ' ' ILE . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 35.86 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 48.78 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 48.18 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 95.86 110.444 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.43 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.094 -0.336 . . . . 99.99 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 99.99 110.684 -176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 34.4 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB3' HG23 ' B' ' 122' ' ' THR . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 17.02 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 50.99 109.733 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 18.45 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 13.15 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 6.92 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 22.19 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 43.73 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HZ1' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 63.88 112.064 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 73.6 108.729 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 99.99 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.532 ' HB2' ' HZ1' ' A' ' 41' ' ' LYS . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 50.91 109.185 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 67.81 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 99.99 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 81.17 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.23 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 75.11 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 32.98 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 27.21 107.571 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 28.74 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 35.81 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 19.33 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 29.68 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 25.47 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 80.58 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 99.99 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 40.21 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 30.66 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 59.79 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 30.86 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 20.96 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 21.28 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 80.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.443 0.164 . . . . 99.99 111.443 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 99.99 111.119 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 99.99 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 79.06 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 59.39 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 99.99 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 83.34 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 42.55 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.418 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 17.98 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 13.2 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 36.0 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 15.85 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.739 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 19.0 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 5.43 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 18.83 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 22.63 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 6.65 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 76' ' ' CYS . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 88.83 112.774 -169.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 51.92 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 39.96 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 11.33 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 32.89 109.98 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 19.39 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 30.18 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 90.79 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.418 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 93.81 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 77.99 112.276 -177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.739 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 85.02 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 . . . . . 0 C--O 1.244 0.786 0 N-CA-C 109.14 -0.689 . . . . 99.99 109.14 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.58 ' H ' HD11 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 61.13 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 99.99 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 99.99 110.171 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 22.84 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.401 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 25.35 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 18.25 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 41.37 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 15.07 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 29.37 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 11.41 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 27.88 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 51.27 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' HZ3' ' HB3' ' B' ' 71' ' ' GLU . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 99.99 110.678 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HA ' HD21 ' B' ' 68' ' ' LEU . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 99.89 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 41' ' ' LYS . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 99.99 110.018 -170.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.67 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.443 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 89.58 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 50.34 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 99.99 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 44.59 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 98.19 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 93.17 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 98.7 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 99.99 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 85.08 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 32.75 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 89.85 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.67 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 99.99 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 30.69 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 50.25 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 27.1 109.042 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 27.69 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 28.91 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.403 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 82.69 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' B' ' 38' ' ' PRO . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 84.99 107.203 173.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 91.81 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.416 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 39.53 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.721 ' HA ' HG23 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 37.29 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 21.12 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 29.86 106.458 177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 13.61 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 13.23 109.076 -178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 36.68 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 12.8 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.401 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 51.05 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.407 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 99.99 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 99.23 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 99.99 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.768 HG23 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.436 ' O ' ' SG ' ' B' ' 97' ' ' CYS . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 99.37 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 67.76 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 81.59 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 55.65 113.268 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 48.03 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 99.99 111.0 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.481 HG21 HG23 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 59.06 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 27.15 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 18.14 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . 0.402 ' CD1' HG23 ' B' ' 16' ' ' ILE . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 25.24 110.449 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 18.19 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 76.84 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 28.75 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 30.1 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 17.12 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.81 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 50.71 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 23.64 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 49.99 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 17' ' ' TYR . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 33.79 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 28.26 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 39.05 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 99.99 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 99.99 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 99.99 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 64.44 111.473 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 75.43 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.99 108.913 -174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.507 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 1.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.618 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 82.71 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 99.99 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 17.72 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.477 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 9.52 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 51.3 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 13.13 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 15.89 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 10.19 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 26.52 107.649 171.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 43.6 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 57.64 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.519 HG23 HD13 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 78.76 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.659 ' HG2' HD11 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 99.99 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 72.29 111.293 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 99.99 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.439 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 99.99 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.404 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 90.89 110.436 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 55.92 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 78.18 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 57.25 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 99.99 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 97.58 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 43.88 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 30.1 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 99.67 108.09 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 31.81 108.439 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.79 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.561 HG23 HG21 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 29.1 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 36.6 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 38.08 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 65.72 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.659 HD11 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 99.99 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 83.21 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 40.89 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 38.89 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 66.65 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 32.91 106.578 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 14.84 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.527 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 26.52 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.528 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 12.17 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.457 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.477 HG12 ' HE1' ' C' ' 17' ' ' TYR . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 39.17 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.64 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 81.7 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 68.22 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.432 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 85.73 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 52.77 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 18.22 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.457 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 62.78 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 20.21 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 17.97 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 10.09 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 18.56 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 31.03 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.464 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 26.09 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.561 HG21 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 21.24 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 14.3 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 10.17 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.659 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 12.08 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 54.79 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' SER . . . . . 0.478 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 23.93 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 27.3 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 36.76 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 44.0 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.478 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 92.07 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 43.42 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.439 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 64.09 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 45.54 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 40.22 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 98.11 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.244 0.775 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.424 ' HZ ' ' SG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 79.57 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 99.99 112.546 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 81.0 107.498 170.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 28.79 111.194 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 14.92 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 58.5 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.659 HG21 ' HE1' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 14.63 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 15.53 109.151 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 6.05 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 14.28 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 16.78 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 22.87 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.473 ' HB3' HD11 ' C' ' 83' ' ' ILE . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 21.13 112.959 -171.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 30.2 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 64.18 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 34.41 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 54.02 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 34.31 111.173 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.445 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 83.42 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 99.99 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 97.22 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 62.54 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 55.71 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 61.91 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.99 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 93.38 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.415 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 99.99 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 99.99 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.526 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 71.26 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 36.06 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 79.92 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 22.5 108.535 171.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.51 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 23.18 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 24.43 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 32.61 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 25.12 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.442 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 49.15 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.438 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 32.34 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 33.15 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 19.1 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 12.32 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 8.66 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 19.44 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . 0.415 HG22 HG13 ' D' ' 114' ' ' ILE . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 10.02 110.01 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.634 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 29.4 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.3 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 65.32 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 99.99 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.452 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 99.99 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 28.6 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 99.99 111.566 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 99.99 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.674 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 70.12 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 64.46 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 46.86 111.284 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.674 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 45.41 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 38.42 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 87.71 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 35.35 110.298 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 21.86 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 12.38 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 8.42 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 15.0 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 17.35 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.481 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 12.17 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.56 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.643 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 19.17 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 19.58 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 14.23 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.47 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 6.04 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 19.19 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 16.36 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 7.12 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 35.79 111.65 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 27.88 112.928 175.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 17.97 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 33.77 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . 0.497 HD22 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 99.99 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 35.86 110.989 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 48.78 111.142 -174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 48.18 110.818 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 95.86 110.026 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 121.148 0.499 . . . . 99.99 110.748 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.905 -0.406 . . . . 99.99 109.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.823 -168.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 34.4 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 17.02 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 50.99 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 18.45 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 13.15 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 6.92 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 22.19 108.613 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 43.73 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 63.88 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 73.6 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD22 HG12 ' A' ' 62' ' ' VAL . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 99.99 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 50.91 109.395 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 67.81 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 99.99 110.329 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 81.17 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.23 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 75.11 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 32.98 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 27.21 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 HD22 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 28.74 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 35.81 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 19.33 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 29.68 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 25.47 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 80.58 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 99.99 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 40.21 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 30.66 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 59.79 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' HB3' ' H ' ' A' ' 24' ' ' GLU . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 30.86 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 20.96 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 21.28 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 80.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 99.99 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 99.99 110.909 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 79.06 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 59.39 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 99.99 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 83.34 110.191 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 42.55 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 17.98 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 13.2 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.42 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 36.0 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 15.85 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.506 ' NH1' HD13 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 19.0 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 5.43 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 18.83 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 22.63 111.308 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 6.65 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 88.83 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 51.92 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 39.96 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.461 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 11.33 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.503 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 32.89 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 19.39 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 30.18 114.68 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 127' ' ' ASN . 47.5 tp60 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 90.79 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.405 HD22 HE21 ' A' ' 125' ' ' GLN . 16.7 m120 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 93.81 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 77.99 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.491 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 85.02 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.046 0.451 . . . . 99.99 111.833 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.454 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 61.13 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 99.99 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 99.99 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 22.84 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 25.35 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.503 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 18.25 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 41.37 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.427 ' CD1' ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 15.07 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 29.37 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 11.41 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 74' ' ' PHE . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 27.88 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 51.27 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.469 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.444 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.575 ' HZ2' ' HB3' ' B' ' 71' ' ' GLU . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 99.99 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 99.89 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.572 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 99.99 112.024 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.499 HD21 HD22 ' B' ' 60' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 99.99 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 89.58 110.511 -173.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 50.34 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 99.99 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 44.59 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 98.19 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.562 HD12 HG22 ' B' ' 83' ' ' ILE . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 93.17 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 98.7 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 99.99 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 85.08 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 32.75 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.499 HD22 HD21 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 89.85 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 99.99 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 30.69 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 50.25 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 27.1 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 27.69 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 28.91 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 82.69 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 84.99 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 91.81 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.575 ' HB3' ' HZ2' ' B' ' 34' ' ' LYS . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 39.53 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.564 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 37.29 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 21.12 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 29.86 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 13.61 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 13.23 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 36.68 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 12.8 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.562 HG22 HD12 ' B' ' 51' ' ' LEU . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 51.05 106.251 168.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.454 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 99.99 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 99.23 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' B' ' 11' ' ' PHE . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 99.99 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 99.37 112.487 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 67.76 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 81.59 112.676 -166.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.502 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.428 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 55.65 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 48.03 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 99.99 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 59.06 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 27.15 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 18.14 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 25.24 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 18.19 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.583 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 76.84 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.461 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 28.75 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.513 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 30.1 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 17.12 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.81 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 50.71 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 23.64 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.51 ' HG ' ' NE2' ' C' ' 125' ' ' GLN . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 49.99 111.769 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 33.79 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 28.26 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 39.05 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.495 ' HB3' HG23 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 99.99 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.583 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 99.99 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 64.44 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 75.43 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.99 110.852 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 109.006 -0.739 . . . . 99.99 109.006 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.462 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 82.71 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.642 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 99.99 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.439 HG22 HD23 ' C' ' 106' ' ' LEU . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 17.72 107.438 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.542 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 9.52 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 51.3 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 13.13 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 15.89 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 10.19 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 26.52 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 43.6 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 57.64 112.49 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 78.76 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.685 ' HB2' ' HZ2' ' C' ' 34' ' ' LYS . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 99.99 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 72.29 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 99.99 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.562 HD21 HD22 ' C' ' 128' ' ' LEU . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 99.99 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.448 HD11 HD22 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 99.99 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 90.89 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 55.92 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 78.18 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 57.25 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.516 HD13 HD13 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 99.99 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 97.58 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 43.88 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' C' ' 81' ' ' GLY . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 30.1 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.448 HD22 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 99.67 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 31.81 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' C' ' 77' ' ' GLU . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.79 109.816 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.553 HG23 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 29.1 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 36.6 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 38.08 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 65.72 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 99.99 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 83.21 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 40.89 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 38.89 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 66.65 110.049 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 32.91 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.474 ' HG2' ' HG1' ' C' ' 63' ' ' THR . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 14.84 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 26.52 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.575 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 12.17 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.542 HG12 ' HE1' ' C' ' 17' ' ' TYR . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 39.17 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.642 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.562 0.22 . . . . 99.99 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 81.7 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 68.22 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 85.73 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 52.77 115.885 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.506 HD13 ' NH1' ' A' ' 111' ' ' ARG . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 18.22 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.439 HD23 HG22 ' C' ' 16' ' ' ILE . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 62.78 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 20.21 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 17.97 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 10.09 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 18.56 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 31.03 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 26.09 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.553 HG21 HG23 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 21.24 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 14.3 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 10.17 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.585 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 12.08 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . 0.462 HG23 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 54.79 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 23.93 110.328 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 27.3 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.409 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 36.76 110.091 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 44.0 113.3 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.51 ' NE2' ' HG ' ' B' ' 119' ' ' SER . 15.6 mm100 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . 0.462 ' H ' HG23 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 92.07 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 43.42 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.562 HD22 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 64.09 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 45.54 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 40.22 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 98.11 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.469 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 79.57 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.572 HD12 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 99.99 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 81.0 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 28.79 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 14.92 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 58.5 109.987 172.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.585 HG23 ' HE1' ' C' ' 117' ' ' MET . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 14.63 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 15.53 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 6.05 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 14.28 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 16.78 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 22.87 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 21.13 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 30.2 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 64.18 112.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.497 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 34.41 109.242 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 54.02 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 34.31 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.589 HG11 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 83.42 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.446 HD12 HD21 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 99.99 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.643 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 97.22 109.579 -174.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.459 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' THR . . . . . 0.648 HG22 HD23 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 99.99 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 62.54 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 55.71 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 61.91 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.99 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 93.38 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.443 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 99.99 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.573 HG11 HG21 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 99.99 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 71.26 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 36.06 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . 0.648 HD23 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 79.92 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.459 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 22.5 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 23.18 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.589 HG13 HG11 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 24.43 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 32.61 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 25.12 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 49.15 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 32.34 109.309 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 33.15 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.497 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 19.1 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 12.32 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 8.66 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 19.44 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.745 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . 0.527 HG23 HG21 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 10.02 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.72 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 29.4 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.3 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.573 HG21 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 65.32 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.553 ' HA ' HG21 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 99.99 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 99.99 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 99.99 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 99.99 111.786 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 70.12 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 64.46 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 46.86 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 45.41 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 38.42 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 87.71 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.572 HG21 HD12 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 35.35 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 21.86 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . 0.526 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 12.38 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 8.42 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 15.0 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 17.35 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 12.17 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.56 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.745 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 19.17 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 19.58 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 14.23 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 6.04 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.464 HG22 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 19.19 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 16.36 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 7.12 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 35.79 111.984 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 27.88 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 17.97 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 33.77 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 99.99 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.446 HD21 HD12 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 35.86 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 48.78 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 48.18 112.175 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 95.86 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . 0.526 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 . . . . . 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.421 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.421 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.005 -0.739 . . . . 99.99 109.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 99.99 110.016 -167.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 34.4 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 17.02 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 50.99 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 18.45 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 13.15 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 6.92 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 22.19 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 43.73 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.686 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 63.88 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 73.6 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 99.99 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 50.91 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 67.81 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 99.99 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 81.17 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.737 ' HB2' HD12 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.23 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 75.11 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 32.98 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 27.21 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 28.74 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 35.81 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG12 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 19.33 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 29.68 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 25.47 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 80.58 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 99.99 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 40.21 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 30.66 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 59.79 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 30.86 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 20.96 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 21.28 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 51' ' ' LEU . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 80.87 108.469 171.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.471 0.545 . . . . 99.99 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 99.99 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 99.99 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 79.06 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 59.39 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 99.99 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 83.34 110.026 166.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 42.55 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.545 ' HZ ' HD11 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 17.98 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 13.2 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 36.0 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 15.85 111.08 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 19.0 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 5.43 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 18.83 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.459 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 22.63 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 6.65 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 88.83 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 51.92 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 39.96 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 11.33 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 32.89 111.398 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 19.39 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 30.18 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 90.79 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.545 HD11 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 93.81 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 77.99 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 85.02 111.396 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.413 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 37.2 t . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.594 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 99.99 112.013 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 61.13 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 99.99 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 99.99 110.314 -171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 22.84 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 25.35 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 18.25 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 41.37 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.619 HD12 ' SG ' ' B' ' 113' ' ' CYS . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 15.07 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 29.37 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 11.41 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 27.88 110.073 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 51.27 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HE3' ' A' ' 19' ' ' LYS . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 99.99 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.533 ' HB2' ' HB2' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 99.89 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 99.99 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.526 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 99.99 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 89.58 110.117 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 50.34 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 99.99 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 44.59 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 98.19 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 93.17 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 98.7 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 99.99 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.598 HG11 HD21 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 85.08 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.54 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 32.75 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 89.85 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 99.99 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 30.69 107.756 174.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 50.25 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.547 HG22 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 27.1 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 27.69 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 28.91 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 82.69 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.539 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 84.99 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 91.81 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 39.53 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.539 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 37.29 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.506 ' HZ ' HD21 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 21.12 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 29.86 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 13.61 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 13.23 108.858 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 36.68 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 12.8 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 51.05 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 99.23 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.536 ' HB ' ' HD2' ' B' ' 11' ' ' PHE . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 99.99 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.57 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.634 ' HE3' HD11 ' B' ' 98' ' ' LEU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.634 HD11 ' HE3' ' B' ' 94' ' ' MET . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 99.37 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 67.76 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 81.59 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.507 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 55.65 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 48.03 114.139 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 99.99 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 59.06 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 27.15 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 18.14 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 25.24 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.424 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 18.19 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 76.84 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 28.75 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.547 HG21 HG22 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 30.1 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 17.12 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.81 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 50.71 110.779 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 23.64 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 49.99 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 33.79 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 28.26 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 39.05 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.506 HD21 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 99.99 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 99.99 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 99.99 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 64.44 110.09 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . 0.61 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 75.43 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.99 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.432 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 109.961 -0.385 . . . . 99.99 109.961 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.734 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.4 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 82.71 107.748 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 99.99 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 17.72 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.449 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 9.52 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.544 ' HE3' ' HB2' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 51.3 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.799 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.42 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 13.13 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 15.89 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 10.19 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 26.52 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 43.6 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 57.64 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.539 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 78.76 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.675 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 99.99 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 72.29 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.564 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 99.99 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.564 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.719 HD12 HD13 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 99.99 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 90.89 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 55.92 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 78.18 110.144 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 57.25 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 99.99 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 97.58 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 43.88 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 30.1 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 99.67 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.781 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.43 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 31.81 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.79 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.539 HG22 HD12 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 29.1 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 36.6 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 38.08 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 65.72 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 99.99 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 83.21 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 40.89 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.675 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 38.89 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 66.65 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 32.91 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 14.84 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.799 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 26.52 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 12.17 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.449 HG12 ' HE1' ' C' ' 17' ' ' TYR . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 39.17 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.734 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.634 0.254 . . . . 99.99 111.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 81.7 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 68.22 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.443 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 85.73 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 52.77 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 18.22 111.446 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 62.78 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 20.21 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 17.97 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.459 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 10.09 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 18.56 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 31.03 111.764 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.418 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 26.09 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.539 HD12 HG22 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 21.24 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 14.3 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 10.17 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.575 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 12.08 111.384 176.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 54.79 110.592 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 23.93 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 27.3 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.442 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 36.76 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 44.0 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 92.07 111.369 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 43.42 109.01 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.719 HD13 HD12 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 64.09 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 45.54 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 40.22 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 98.11 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . 0.514 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 79.57 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.515 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 99.99 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.61 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 81.0 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.447 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 28.79 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 14.92 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 58.5 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.575 HG21 ' HE1' ' C' ' 117' ' ' MET . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 14.63 107.789 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' SER . . . . . 0.439 ' N ' HG23 ' D' ' 21' ' ' ILE . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 15.53 110.296 177.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 6.05 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 14.28 108.151 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 16.78 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.544 ' HB2' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 22.87 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' C' ' 83' ' ' ILE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 21.13 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 30.2 110.365 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 64.18 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.56 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 34.41 109.965 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 54.02 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 34.31 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 83.42 106.315 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' D' ' 65' ' ' THR . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.502 HD22 HG12 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 99.99 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.704 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' D' ' 42' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 97.22 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 99.99 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 62.54 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 55.71 111.835 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 61.91 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.99 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 93.38 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 99.99 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 99.99 110.349 -168.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.689 HG23 HD11 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 71.26 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 36.06 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 79.92 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . 0.502 HG12 HD22 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 22.5 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.704 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 23.18 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 24.43 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 65' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 32.61 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 25.12 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 49.15 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 32.34 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 33.15 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.56 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 19.1 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.483 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 12.32 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 8.66 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 19.44 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 10.02 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.479 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 29.4 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.415 ' O ' HD11 ' D' ' 106' ' ' LEU . 7.1 tp-100 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.3 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 65.32 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 99.99 109.701 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' D' ' 11' ' ' PHE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 99.99 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' D' ' 94' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.474 ' HA ' HD13 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 99.99 112.479 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 99.99 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.689 HD11 HG23 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 70.12 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 64.46 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 46.86 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 45.41 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 38.42 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 87.71 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 35.35 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.415 HD11 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 21.86 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 12.38 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 8.42 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 15.0 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 17.35 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.501 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 12.17 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.56 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.635 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 19.17 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 19.58 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 14.23 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 6.04 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.442 HG22 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 19.19 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 16.36 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 7.12 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 35.79 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 27.88 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 17.97 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 33.77 110.745 -174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 99.99 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.592 HD12 HD13 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 35.86 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 48.78 111.137 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.501 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 48.18 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 95.86 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' D' ' 134' ' ' ASP . 60.2 t30 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 . . . . . 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . 0.425 ' CE3' HD21 ' C' ' 42' ' ' LEU . 2.0 t-105 . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 121.511 0.672 . . . . 99.99 112.266 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.636 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 99.99 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 34.4 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' HB3' HG23 ' B' ' 122' ' ' THR . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 17.02 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.732 ' HZ3' ' HB3' ' B' ' 28' ' ' ALA . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 50.99 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 18.45 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 13.15 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 6.92 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 22.19 108.753 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 43.73 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 63.88 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 73.6 111.268 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 99.99 108.491 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HG ' HG12 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 50.91 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 67.81 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 81.17 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.23 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG12 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 75.11 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' CG1' ' HG2' ' A' ' 79' ' ' GLN . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 32.98 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 HG23 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 27.21 107.091 177.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 HD23 ' A' ' 60' ' ' LEU . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 28.74 109.685 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 35.81 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 19.33 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 29.68 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 25.47 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 80.58 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 99.99 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 40.21 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' HG23 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 30.66 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 59.79 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 30.86 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 20.96 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HG3' HD23 ' A' ' 106' ' ' LEU . 7.2 tp-100 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 21.28 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 80.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.636 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t . . . . . 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.557 1.212 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 99.99 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 99.99 113.531 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 79.06 112.234 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' HG12 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 59.39 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 99.99 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 83.34 110.793 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 42.55 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 17.98 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 13.2 113.11 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 36.0 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 15.85 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 19.0 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 5.43 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 18.83 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.419 HG22 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 22.63 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 6.65 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 88.83 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 51.92 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 39.96 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.588 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 11.33 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 32.89 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 19.39 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 30.18 113.801 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 90.79 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 93.81 112.048 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 77.99 111.427 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 85.02 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.548 HG12 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 61.13 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 99.99 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 99.99 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 22.84 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 25.35 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 18.25 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 41.37 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 15.07 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 29.37 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 11.41 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 27.88 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 51.27 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.732 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 99.99 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 99.89 112.069 -168.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 99.99 111.123 -165.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 89.58 109.734 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 50.34 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 99.99 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 44.59 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 98.19 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 93.17 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 98.7 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE1' ' HB3' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 99.99 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 85.08 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 32.75 108.702 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 89.85 109.427 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 99.99 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 30.69 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 50.25 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 27.1 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 27.69 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 28.91 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.546 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 82.69 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 84.99 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 91.81 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 39.53 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 37.29 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 21.12 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 29.86 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 13.61 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 13.23 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 36.68 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.548 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 12.8 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 51.05 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 99.99 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 99.23 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 99.99 110.948 -172.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB3' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . 0.53 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 99.37 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 67.76 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 81.59 112.392 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . 0.53 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 55.65 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 48.03 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 99.99 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 59.06 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 27.15 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 18.14 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . 0.401 ' HE2' HG22 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 25.24 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 18.19 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 76.84 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 28.75 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.638 HD13 HD11 ' B' ' 128' ' ' LEU . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 30.1 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 17.12 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.81 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.546 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 50.71 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.508 HG21 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 23.64 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 49.99 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.506 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.468 HG23 ' HB3' ' A' ' 17' ' ' TYR . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 33.79 112.539 176.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . 0.452 ' CE1' HG22 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 28.26 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 39.05 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 99.99 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 99.99 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.638 HD11 HD13 ' B' ' 114' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 99.99 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 64.44 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 75.43 111.403 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.99 110.934 -173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 82.71 107.742 170.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 99.99 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 17.72 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 9.52 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HZ3' ' HD3' ' D' ' 29' ' ' PRO . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 51.3 109.316 173.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 13.13 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 15.89 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 10.19 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 26.52 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 43.6 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 57.64 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.601 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 78.76 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.601 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 99.99 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 72.29 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 99.99 108.462 171.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 99.99 108.548 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.598 HD12 HD21 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 90.89 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 55.92 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 78.18 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 57.25 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 99.99 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 97.58 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.476 ' HB2' HD13 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.546 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 43.88 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 30.1 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.598 HD21 HD12 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 99.67 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 31.81 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.79 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.501 HG21 HG21 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 29.1 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 36.6 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 38.08 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 65.72 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 99.99 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 83.21 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 40.89 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 38.89 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 66.65 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 32.91 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 14.84 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 26.52 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 12.17 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.439 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' D' ' 29' ' ' PRO . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 39.17 108.563 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . 0.546 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.459 -0.2 . . . . 99.99 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 81.7 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 68.22 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.425 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 85.73 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 52.77 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 18.22 110.072 170.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.439 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 62.78 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 20.21 113.411 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 17.97 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . 0.419 ' HE2' HG22 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 10.09 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 18.56 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.472 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 31.03 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.438 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 26.09 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.501 HG21 HG21 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 21.24 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 14.3 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 10.17 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.538 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 12.08 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 54.79 109.491 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 23.93 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 27.3 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 36.76 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 44.0 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 92.07 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . 0.472 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 43.42 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 64.09 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 45.54 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 40.22 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 98.11 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 79.57 105.758 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.41 HD12 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 99.99 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 81.0 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 28.79 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 14.92 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 58.5 110.299 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.538 HG23 ' HE1' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 14.63 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 15.53 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 6.05 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 14.28 107.319 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 16.78 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' D' ' 29' ' ' PRO . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 22.87 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' D' ' 28' ' ' ALA . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 21.13 113.186 -171.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 30.2 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 64.18 111.341 -167.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . 0.606 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 34.41 109.787 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 54.02 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 34.31 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.598 HG21 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 83.42 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 99.99 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.404 HD11 ' N ' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 97.22 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 62.54 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 55.71 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 61.91 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.99 108.76 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 93.38 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 99.99 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 71.26 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 36.06 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 79.92 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 22.5 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 23.18 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.598 HG13 HG21 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 24.43 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 32.61 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 25.12 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.429 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 49.15 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 32.34 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 33.15 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . 0.606 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 19.1 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 12.32 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 8.66 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 19.44 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 10.02 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 29.4 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.3 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 65.32 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.437 ' HA ' HG21 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 99.99 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.545 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 99.99 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.545 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . 0.516 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.474 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 99.99 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 99.99 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.412 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 70.12 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 64.46 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 46.86 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 45.41 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 38.42 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 87.71 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.436 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 35.35 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 21.86 112.731 -170.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 12.38 114.005 -173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 8.42 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 15.0 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 17.35 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 12.17 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.56 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.402 ' O ' HG22 ' D' ' 118' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 19.17 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 115' ' ' THR . . . . . 0.401 HG22 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 19.58 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 14.23 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.464 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 6.04 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.402 HG22 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 19.19 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 16.36 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 7.12 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 35.79 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 27.88 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 17.97 112.426 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 33.77 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 99.99 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 35.86 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 48.78 110.315 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 48.18 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 95.86 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . 0.438 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 34.4 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' HG23 ' B' ' 122' ' ' THR . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 17.02 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 50.99 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 ' SD ' ' B' ' 117' ' ' MET . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 18.45 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 13.15 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 6.92 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 22.19 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 43.73 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' O ' HG21 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' HE21 ' A' ' 33' ' ' GLN . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' A' ' 30' ' ' HIS . 51.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 63.88 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 73.6 108.959 171.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 99.99 110.104 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 50.91 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 67.81 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 99.99 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 81.17 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB2' HD13 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.23 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 75.11 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.549 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 32.98 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 27.21 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 28.74 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 35.81 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 19.33 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 29.68 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 25.47 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 80.58 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.614 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 99.99 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 40.21 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 30.66 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 59.79 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 30.86 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.569 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 20.96 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 21.28 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.469 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 80.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.704 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 99.99 111.614 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 99.99 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.704 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 79.06 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 59.39 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 99.99 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 83.34 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 42.55 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 17.98 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 13.2 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 36.0 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 15.85 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 19.0 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 5.43 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.536 HG13 HG23 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 18.83 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 22.63 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 6.65 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 88.83 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 51.92 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.658 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 39.96 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 11.33 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 32.89 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 19.39 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 30.18 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.41 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 90.79 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 93.81 111.025 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 77.99 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 85.02 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 110.201 -0.296 . . . . 99.99 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.431 ' HA ' HE21 ' B' ' 12' ' ' GLN . 0.0 OUTLIER -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 61.13 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 99.99 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 99.99 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.538 HG22 HD23 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 22.84 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 25.35 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 18.25 108.832 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 41.37 110.373 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.586 HD11 HG12 ' B' ' 78' ' ' VAL . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 15.07 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 29.37 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 11.41 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 27.88 108.866 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 51.27 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' ' HZ ' ' B' ' 123' ' ' PHE . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 99.99 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 99.89 109.7 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 99.99 110.283 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.42 HD22 HD21 ' B' ' 60' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 99.99 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.681 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 89.58 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 50.34 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 99.99 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 44.59 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 98.19 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 93.17 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 98.7 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 99.99 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.469 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 85.08 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 32.75 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.42 HD21 HD22 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 89.85 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 99.99 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.655 HG12 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 30.69 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 50.25 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.479 HG22 HD12 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 27.1 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 27.69 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 28.91 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 82.69 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 84.99 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 91.81 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 39.53 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 37.29 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 21.12 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 29.86 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 13.61 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.586 HG12 HD11 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 13.23 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 36.68 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 12.8 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 51.05 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.469 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 99.99 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 99.23 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.457 HD11 ' HD1' ' B' ' 84' ' ' PHE . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 99.37 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 67.76 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 81.59 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 55.65 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 48.03 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 99.99 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 59.06 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.538 HD23 HG22 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 27.15 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 18.14 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' B' ' 16' ' ' ILE . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 25.24 111.068 -176.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 18.19 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.665 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 76.84 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 28.75 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.608 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 30.1 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 17.12 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.81 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 50.71 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 23.64 110.4 173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 49.99 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.491 ' NH2' ' HG2' ' C' ' 112' ' ' GLU . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.436 HG21 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 33.79 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . 0.495 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 28.26 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 39.05 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 99.99 108.363 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 99.99 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.665 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 99.99 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 64.44 111.702 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 75.43 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.99 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.591 0.234 . . . . 99.99 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.548 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 82.71 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 99.99 111.278 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.41 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . 0.469 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 17.72 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 9.52 109.815 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' C' ' 19' ' ' LYS . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 51.3 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.676 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.445 HG21 ' HE2' ' C' ' 117' ' ' MET . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 13.13 107.492 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 15.89 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 10.19 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 26.52 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 43.6 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.477 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . 0.435 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 57.64 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.645 HG21 ' HZ2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 78.76 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.645 ' HZ2' HG21 ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 99.99 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 72.29 112.117 -176.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 99.99 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 99.99 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . 0.566 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 99.99 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 90.89 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . 0.434 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 55.92 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 78.18 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 57.25 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 99.99 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 97.58 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 43.88 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 30.1 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 99.67 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 31.81 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' THR . . . . . 0.566 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.79 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.599 HG23 HG21 ' C' ' 114' ' ' ILE . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 29.1 108.901 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.468 HG21 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 36.6 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 38.08 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 65.72 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 99.99 110.492 -176.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 83.21 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 40.89 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 38.89 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 66.65 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.468 HD23 HG21 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 32.91 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 14.84 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.676 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 26.52 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.6 tp-100 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 12.17 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.466 HD12 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 39.17 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.548 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.32 0.581 . . . . 99.99 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.5 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 81.7 114.122 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 68.22 110.586 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.405 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 85.73 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 52.77 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 18.22 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 62.78 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 20.21 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 17.97 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 10.09 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 18.56 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . 0.539 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 31.03 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.699 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 26.09 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.599 HG21 HG23 ' C' ' 64' ' ' VAL . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 21.24 110.507 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 14.3 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 10.17 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.607 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 12.08 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 54.79 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 23.93 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.404 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.537 HG22 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 27.3 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 36.76 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 44.0 111.675 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 92.07 104.276 170.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . 0.436 ' ND2' HG21 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 43.42 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.539 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 64.09 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 45.54 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 40.22 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 98.11 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 79.57 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG22 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 99.99 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . 0.542 HG22 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 81.0 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.537 ' HB3' HG22 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 28.79 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 14.92 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 58.5 110.581 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.607 HG21 ' HE1' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 14.63 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 15.53 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 6.05 105.692 167.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . 0.418 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 14.28 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 16.78 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 22.87 115.918 -170.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.466 ' HB3' HD12 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 21.13 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 30.2 109.739 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.543 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 64.18 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 34.41 110.412 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 54.02 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 34.31 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.588 HG11 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 83.42 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . 0.497 HD22 HD21 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 99.99 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 97.22 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 99.99 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 62.54 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 55.71 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 61.91 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.99 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.435 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 93.38 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 99.99 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 99.99 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 71.26 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.449 ' HB ' ' HB2' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 36.06 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 79.92 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.478 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 22.5 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 63' ' ' THR . . . . . 0.447 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 23.18 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.588 HG13 HG11 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 24.43 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 32.61 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 25.12 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 49.15 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.54 HD13 HG12 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 32.34 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 33.15 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 19.1 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 12.32 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 8.66 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 19.44 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.5 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . 0.46 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 10.02 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 29.4 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.3 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.43 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 65.32 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 99.99 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 99.99 108.813 -167.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.771 ' HB2' HD12 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 99.99 111.718 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 99.99 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 70.12 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 64.46 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 46.86 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 45.41 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 38.42 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . 0.52 HD22 ' HB2' ' D' ' 133' ' ' PHE . 0.8 OUTLIER -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 87.71 110.85 174.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 35.35 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 21.86 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 12.38 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 8.42 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 15.0 111.92 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 17.35 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.697 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 12.17 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.56 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.564 HD13 HD12 ' D' ' 128' ' ' LEU . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 19.17 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 19.58 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 14.23 110.959 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.5 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 6.04 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 19.19 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 119' ' ' SER . . . . . 0.658 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 16.36 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.699 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 7.12 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 35.79 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . 0.543 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 27.88 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 17.97 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 33.77 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . 0.426 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 99.99 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.564 HD12 HD13 ' D' ' 114' ' ' ILE . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 35.86 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 48.78 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.697 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 48.18 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 95.86 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' HD22 ' D' ' 104' ' ' ASN . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.241 0.615 0 CA-C-O 120.587 0.232 . . . . 99.99 110.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 108.325 -0.991 . . . . 99.99 108.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 99.99 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 34.4 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HE2' ' HB2' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 17.02 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 50.99 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 18.45 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 21' ' ' ILE . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 13.15 109.755 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 6.92 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 22.19 108.724 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 43.73 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' O ' HG21 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 20.0 m-70 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.714 ' HZ2' ' HG2' ' A' ' 71' ' ' GLU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 63.88 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 73.6 109.424 -175.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 99.99 109.031 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 50.91 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 67.81 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 99.99 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 81.17 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 83' ' ' ILE . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.23 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 75.11 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 32.98 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 27.21 107.554 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 28.74 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 35.81 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 19.33 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 29.68 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 25.47 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 80.58 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 99.99 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.714 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 40.21 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 30.66 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 59.79 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 30.86 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 20.96 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 21.28 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 51' ' ' LEU . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 80.87 108.512 173.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HD2' HG12 ' A' ' 13' ' ' ILE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 99.99 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 99.99 114.066 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 79.06 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.481 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 59.39 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 99.99 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 83.34 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 42.55 111.668 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 17.98 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.412 ' HA ' ' NH1' ' A' ' 111' ' ' ARG . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 13.2 114.134 171.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 36.0 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 15.85 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 108' ' ' PRO . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 19.0 110.72 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 5.43 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.427 HG21 HG22 ' A' ' 64' ' ' VAL . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 18.83 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 22.63 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 6.65 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.414 ' HE3' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 88.83 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 51.92 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 39.96 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.68 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 11.33 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.544 HG23 ' NE ' ' B' ' 15' ' ' ARG . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 32.89 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 19.39 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 30.18 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 90.79 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 93.81 109.857 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 77.99 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HG3' HD11 ' C' ' 105' ' ' ILE . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 85.02 113.621 -168.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.716 -0.476 . . . . 99.99 109.716 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 61.13 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.522 HE22 HG12 ' B' ' 55' ' ' VAL . 40.0 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 99.99 110.969 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.544 ' NE ' HG23 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 99.99 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 22.84 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 25.35 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 18.25 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 41.37 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 15.07 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 29.37 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 11.41 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 27.88 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 39.5 m-80 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 51.27 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.434 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 10.1 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 99.99 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 99.89 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.446 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.437 ' H ' HD22 ' B' ' 42' ' ' LEU . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 99.99 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 89.58 109.759 -168.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 50.34 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 99.99 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 44.59 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 98.19 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 93.17 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.522 HG12 HE22 ' B' ' 14' ' ' GLN . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 98.7 107.394 170.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 99.99 108.493 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 85.08 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 32.75 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 89.85 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 99.99 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 30.69 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 50.25 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 27.1 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' THR . . . . . 0.446 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 27.69 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 28.91 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.489 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 82.69 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 84.99 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 91.81 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 39.53 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.489 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 37.29 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 21.12 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 29.86 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 13.61 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 13.23 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLN . . . . . 0.554 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 1.6 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 36.68 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 12.8 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 51.05 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 99.99 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 99.23 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 99.99 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.437 HG23 ' HG3' ' B' ' 94' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' MET . . . . . 0.437 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 99.37 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 67.76 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 81.59 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 55.65 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 48.03 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 99.99 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 59.06 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 27.15 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 18.14 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 25.24 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 18.19 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.506 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 76.84 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.68 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 28.75 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 118' ' ' VAL . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 30.1 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 17.12 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.81 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.519 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 50.71 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 23.64 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' SER . . . . . 0.466 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 49.99 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 33.79 112.175 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 28.26 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 39.05 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 99.99 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 99.99 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.506 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 99.99 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 64.44 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 75.43 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.99 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.276 -0.268 . . . . 99.99 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.544 HD12 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 82.71 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.401 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 99.99 110.695 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 17.72 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' TYR . . . . . 0.492 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 9.52 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.53 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 51.3 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . 0.642 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 13.13 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 15.89 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 10.19 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . 0.464 ' HB1' ' HB1' ' C' ' 28' ' ' ALA . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 26.52 108.385 167.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 43.6 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.616 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 57.64 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.411 HG23 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 78.76 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.406 ' HA ' ' HZ3' ' C' ' 36' ' ' TRP . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 99.99 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' TRP . . . . . 0.406 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 72.29 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 99.99 108.749 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' LYS . . . . . 0.489 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 99.99 106.178 170.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.577 HD23 HD11 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 99.99 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 90.89 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 55.92 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 78.18 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 57.25 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.548 HD13 HD13 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 99.99 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 97.58 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' TYR . . . . . 0.706 ' HB2' HD13 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' C' ' 102' ' ' CYS . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 43.88 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . 0.438 HG23 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 30.1 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.577 HD11 HD23 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 99.67 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . 0.524 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 31.81 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.79 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.483 HG23 HG21 ' C' ' 114' ' ' ILE . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 29.1 108.292 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 36.6 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 38.08 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 65.72 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 99.99 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 83.21 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' GLU . . . . . 0.637 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 40.89 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . 0.411 ' HA ' HG23 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 38.89 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 66.65 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' LEU . . . . . 0.446 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 32.91 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' CYS . . . . . 0.446 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 14.84 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' GLN . . . . . 0.642 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 26.52 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 12.17 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ILE . . . . . 0.548 HD13 HD13 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 39.17 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' ILE . . . . . 0.706 HD13 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.611 -0.144 . . . . 99.99 110.611 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' LEU . . . . . 0.68 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 81.7 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 68.22 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' TYR . . . . . 0.493 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 85.73 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' PRO . . . . . 0.441 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 52.77 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.404 HD11 ' HG3' ' A' ' 130' ' ' PRO . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 18.22 109.721 169.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . 0.504 HD12 HD22 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 62.78 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 20.21 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 17.97 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 10.09 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 18.56 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 31.03 110.54 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.439 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 26.09 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.483 HG21 HG23 ' C' ' 64' ' ' VAL . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 21.24 110.443 174.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' THR . . . . . 0.466 HG21 ' HB3' ' B' ' 119' ' ' SER . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 14.3 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 10.17 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' MET . . . . . 0.563 ' HE2' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 12.08 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 54.79 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 23.93 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' THR . . . . . 0.451 HG22 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 27.3 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 36.76 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 44.0 117.244 -177.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . 0.423 HE21 HG22 ' C' ' 115' ' ' THR . 0.6 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 92.07 110.443 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 43.42 109.852 173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 64.09 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 45.54 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 40.22 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 98.11 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 79.57 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 99.99 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 81.0 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' TYR . . . . . 0.451 ' HB3' HG22 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 28.79 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 14.92 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 58.5 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . 0.657 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.563 HD12 ' HE2' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 14.63 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 15.53 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.528 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 6.05 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 14.28 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 16.78 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 22.87 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' PRO . . . . . 0.522 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 21.13 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 30.2 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 64.18 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 34.41 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 54.02 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 34.31 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.527 HG13 HG11 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 83.42 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 99.99 109.787 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 97.22 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 99.99 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 62.54 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.489 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 55.71 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 61.91 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.99 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 93.38 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 99.99 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 55' ' ' VAL . . . . . 0.437 HG21 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 99.99 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 58' ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 71.26 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 59' ' ' VAL . . . . . 0.481 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 36.06 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 79.92 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 22.5 107.216 162.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 23.18 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 64' ' ' VAL . . . . . 0.527 HG11 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 24.43 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 32.61 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 66' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 25.12 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 67' ' ' SER . . . . . 0.456 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 49.15 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 32.34 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 33.15 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 19.1 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 12.32 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 8.66 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 19.44 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 76' ' ' CYS . . . . . 0.668 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 10.02 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 29.4 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 80' ' ' GLN . . . . . 0.409 ' O ' HD11 ' D' ' 106' ' ' LEU . 7.6 tp-100 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 81' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.3 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 65.32 108.755 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 85' ' ' SER . . . . . 0.437 ' HB3' HG21 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 99.99 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 99.99 109.431 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 89' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 94' ' ' MET . . . . . 0.647 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 99.99 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 99.99 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 70.12 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 64.46 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 46.86 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 45.41 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 38.42 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 87.71 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 105' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 35.35 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.409 HD11 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 21.86 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 12.38 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 108' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 8.42 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 15.0 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 17.35 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 111' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 12.17 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.56 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 114' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 19.17 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 19.58 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 14.23 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 117' ' ' MET . . . . . 0.668 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 6.04 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 19.19 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 16.36 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 7.12 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 35.79 111.252 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 27.88 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 17.97 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 33.77 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 99.99 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.47 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 35.86 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 48.78 111.445 -176.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 130' ' ' PRO . . . . . 0.46 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 48.18 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 95.86 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 90.6 m95 . . . . . 0 CA--C 1.547 0.828 0 CA-C-O 121.656 0.741 . . . . 99.99 112.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' SD ' ' HD1' ' E' ' 290' ' ' TRP . 3.9 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.236 -0.411 . . . . 99.99 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -110.37 8.39 23.28 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 118.755 0.707 . . . . 99.99 111.149 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' HG3' HH11 ' E' ' 289' ' ' ARG . 0.1 OUTLIER -115.01 45.45 1.61 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.596 0.712 . . . . 99.99 109.235 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -53.2 109.19 0.4 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.502 -0.925 . . . . 99.99 108.502 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -47.39 -68.23 0.21 Allowed 'General case' 0 C--N 1.36 1.028 0 O-C-N 125.003 1.44 . . . . 99.99 111.008 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.3 t30 30.22 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.292 1.837 . . . . 99.99 113.099 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.74 63.03 0.84 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.604 1.162 . . . . 99.99 110.085 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.17 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.056 1.343 . . . . 99.99 110.981 -167.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.521 ' SD ' HG22 ' A' ' 89' ' ' ILE . 18.0 ptt? -102.02 132.58 47.78 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.612 1.165 . . . . 99.99 108.552 172.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -157.12 144.95 19.1 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.638 0.732 . . . . 99.99 111.157 -172.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -92.33 119.05 31.52 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 106.064 -1.828 . . . . 99.99 106.064 167.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -134.57 112.88 11.22 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.686 0.394 . . . . 99.99 110.834 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 99.99 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.879 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 34.4 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' HG23 ' B' ' 122' ' ' THR . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.582 HG22 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 17.02 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 50.99 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 18.45 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 13.15 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HB2' ' HE2' ' A' ' 117' ' ' MET . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 6.92 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 22.19 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 43.73 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG21 ' HZ1' ' E' ' 471' ' ' LYS . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.542 ' HZ2' ' HB3' ' E' ' 148' ' ' GLU . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 63.88 112.029 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' E' ' 467' ' ' ALA . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 73.6 109.026 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD21 HD23 ' E' ' 468' ' ' LEU . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 99.99 107.497 169.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.561 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.432 HG21 HD22 ' E' ' 454' ' ' LEU . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 50.91 109.947 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 67.81 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 99.99 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 81.17 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 51' ' ' LEU . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' HE1' ' HB3' ' E' ' 450' ' ' ASN . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.754 ' HB2' HD12 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.23 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 75.11 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 32.98 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 27.21 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.634 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 28.74 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 35.81 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 19.33 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 29.68 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 25.47 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 80.58 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 99.99 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 40.21 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 30.66 109.093 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 59.79 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 30.86 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 20.96 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 21.28 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 80.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -84.38 90.03 7.5 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 HD11 HD21 ' A' ' 98' ' ' LEU . 14.2 tt -113.14 119.71 61.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.056 -0.974 . . . . 99.99 109.442 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.88 168.97 13.58 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 123.976 0.91 . . . . 99.99 110.754 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.23 -32.48 5.91 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.61 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG22 ' SD ' ' A' ' 9' ' ' MET . 1.4 pp -111.74 162.85 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 99.99 109.856 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.85 179.54 8.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.798 0.439 . . . . 99.99 111.133 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.19 -148.1 42.06 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.414 -0.812 . . . . 99.99 114.075 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -64.44 -21.01 66.52 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.15 0.58 . . . . 99.99 111.619 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -56.67 -65.62 0.58 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.092 0.957 . . . . 99.99 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.432 ' SD ' HG12 ' E' ' 452' ' ' VAL . 0.0 OUTLIER -67.92 -30.61 69.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 99.99 111.032 -177.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.38 91.68 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.603 0.761 . . . . 99.99 111.722 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -90.86 -20.38 22.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.784 -0.644 . . . . 99.99 111.558 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.896 0.478 . . . . 99.99 110.871 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.772 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp -100.95 -27.4 13.32 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.704 0.402 . . . . 99.99 110.668 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 99.99 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 99.99 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 79.06 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.449 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 59.39 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 99.99 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 83.34 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 42.55 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 17.98 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 13.2 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 36.0 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 15.85 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 19.0 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 5.43 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.496 HG23 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 18.83 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 22.63 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 6.65 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.457 ' HE2' ' HB2' ' A' ' 23' ' ' PHE . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 88.83 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 51.92 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 39.96 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 11.33 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 HG21 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 32.89 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 19.39 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.459 ' HA ' ' HB2' ' E' ' 131' ' ' TRP . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 30.18 113.881 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.624 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 90.79 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 93.81 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.454 ' O ' HD23 ' E' ' 142' ' ' LEU . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 77.99 110.964 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.682 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 85.02 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.531 ' HB ' HD22 ' E' ' 142' ' ' LEU . 14.3 p -143.06 142.13 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.536 ' HB2' ' HH ' ' C' ' 101' ' ' TYR . 39.2 t-20 -104.42 89.58 3.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.311 0.645 . . . . 99.99 110.888 -167.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 136' ' ' LEU . 3.9 m-30 -84.24 -8.95 58.89 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.082 0.553 . . . . 99.99 111.536 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.26 -49.3 64.89 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.224 0.61 . . . . 99.99 109.6 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.403 ' HA ' ' SD ' ' C' ' 138' ' ' MET . . . -62.88 -44.29 96.52 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.66 -1.155 . . . . 99.99 110.821 174.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 133' ' ' PHE . 45.5 tp -60.58 -39.76 89.24 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.414 1.086 . . . . 99.99 111.544 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.81 -52.0 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.451 0.7 . . . . 99.99 109.72 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.6 tpp -63.29 -39.25 94.04 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.85 -0.613 . . . . 99.99 110.581 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -60.85 -51.67 68.33 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.613 1.165 . . . . 99.99 111.426 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -30.76 67.35 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.582 -0.525 . . . . 99.99 109.582 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.8 -54.32 36.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 123.369 0.668 . . . . 99.99 110.495 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -158.4 -16.45 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.685 1.194 . . . . 99.99 110.63 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 71.09 -54.17 0.67 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.004 1.721 . . . . 99.99 111.36 -171.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -53.61 -26.92 24.05 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.384 1.473 . . . . 99.99 112.934 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.81 -173.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.983 1.313 . . . . 99.99 111.514 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.61 170.42 26.66 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 66.35 -70.95 0.1 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.376 1.471 . . . . 99.99 111.663 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.89 114.06 6.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 111.568 -0.613 . . . . 99.99 111.568 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.6 p -69.41 87.64 0.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.397 0.679 . . . . 99.99 110.718 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.92 148.05 50.45 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.964 -1.016 . . . . 99.99 110.716 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 112.6 9.68 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -143.32 121.19 11.98 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.617 -166.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' E' ' 286' ' ' MET . 24.3 mp0 -78.87 -178.76 6.19 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 169.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.04 -23.31 67.28 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.099 0.56 . . . . 99.99 112.118 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 124.758 1.223 . . . . 99.99 110.848 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 C--O 1.241 0.639 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -163.29 -76.0 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 171.55 -44.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.438 1.495 . . . . 99.99 107.045 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.58 116.87 8.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.72 -1.582 . . . . 99.99 110.116 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.81 19.11 11.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 125.201 1.401 . . . . 99.99 111.642 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.49 -57.73 2.81 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.6 m 65.7 -77.32 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.951 1.3 . . . . 99.99 110.283 -174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -160.19 115.9 2.36 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.941 -1.874 . . . . 99.99 105.941 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.783 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 6.1 tpt 65.03 166.27 0.17 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.889 1.275 . . . . 99.99 112.367 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.3 m -144.63 103.79 3.97 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.458 -2.053 . . . . 99.99 105.458 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -122.92 137.51 54.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.262 0.625 . . . . 99.99 110.278 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 61.13 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 99.99 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.403 HH21 HG21 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 99.99 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 22.84 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 25.35 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 18.25 109.889 173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.434 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 41.37 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.7 HD12 ' SG ' ' B' ' 113' ' ' CYS . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 15.07 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 29.37 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 11.41 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 27.88 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 51.27 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.544 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 99.99 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.471 HG22 HD11 ' B' ' 126' ' ' LEU . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 99.89 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.585 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 99.99 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.405 HD21 ' O ' ' E' ' 10' ' ' LEU . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 99.99 109.687 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 89.58 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 50.34 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 99.99 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 44.59 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 98.19 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.437 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 93.17 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 98.7 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.498 ' HE2' ' HB1' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 99.99 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 85.08 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 32.75 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 89.85 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 99.99 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 30.69 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 50.25 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.449 HG22 HD12 ' B' ' 114' ' ' ILE . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 27.1 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 27.69 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 28.91 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 82.69 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 84.99 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 91.81 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 39.53 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 37.29 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 21.12 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 29.86 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 13.61 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 13.23 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 36.68 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.427 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 12.8 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.437 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 51.05 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 99.99 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 99.23 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 99.99 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.783 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.441 ' HB3' ' HE1' ' E' ' 340' ' ' PHE . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' B' ' 141' ' ' LEU . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 99.37 112.195 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' B' ' 133' ' ' PHE . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 67.76 113.519 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 81.59 111.091 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.409 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 55.65 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 48.03 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 99.99 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 59.06 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 27.15 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 18.14 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 25.24 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 18.19 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 76.84 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 21' ' ' ILE . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 28.75 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.449 HD12 HG22 ' B' ' 64' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 30.1 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 17.12 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.81 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 50.71 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 23.64 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 49.99 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.504 HG23 ' HB3' ' A' ' 17' ' ' TYR . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 33.79 111.001 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 28.26 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 39.05 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.471 HD11 HG22 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 99.99 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 99.99 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.635 ' HA ' HG21 ' E' ' 6' ' ' ILE . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 99.99 112.573 -172.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 64.44 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 75.43 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.99 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -99.24 98.96 9.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' B' ' 99' ' ' GLY . 6.2 m-85 -73.12 -29.45 62.91 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.706 0.802 . . . . 99.99 111.093 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.434 ' HB3' ' HE3' ' E' ' 62' ' ' LYS . 11.0 t70 -43.88 -65.97 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.824 1.649 . . . . 99.99 113.048 -169.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.501 ' HB3' ' HZ1' ' E' ' 62' ' ' LYS . . . -71.8 -31.85 67.0 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.543 -0.753 . . . . 99.99 111.669 -171.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.457 HD13 HD11 ' E' ' 10' ' ' LEU . 94.7 mt -57.44 -50.53 72.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.766 0.826 . . . . 99.99 111.48 -174.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.452 ' HE1' ' HB3' ' E' ' 11' ' ' LEU . 14.4 m-85 -80.91 -28.88 35.69 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.946 0.499 . . . . 99.99 111.944 175.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.551 ' O ' ' HG2' ' B' ' 142' ' ' GLN . 1.4 tmt? -59.95 -33.58 72.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.249 0.62 . . . . 99.99 110.321 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.0 -38.2 66.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.738 0.815 . . . . 99.99 110.423 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.28 -27.5 67.99 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.565 0.746 . . . . 99.99 112.738 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' B' ' 95' ' ' ALA . 3.9 pp -97.84 4.63 49.67 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.962 0.505 . . . . 99.99 112.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' B' ' 138' ' ' MET . 89.0 mm-40 -86.83 110.3 19.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -155.27 85.75 1.08 Allowed 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 170.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 62.31 17.2 9.15 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 124.9 1.28 . . . . 99.99 112.253 168.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.52 53.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.213 1.005 . . . . 99.99 112.43 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.44 -34.75 85.63 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.498 0.499 . . . . 99.99 113.147 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.03 87.93 2.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.045 0.938 . . . . 99.99 109.315 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.71 67.86 2.93 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.45 -0.795 . . . . 99.99 111.884 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 17.4 p -84.12 -25.08 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.286 0.634 . . . . 99.99 110.545 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . 0.578 ' HG2' ' HB3' ' E' ' 411' ' ' ALA . 8.6 tp10 65.39 -75.84 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.606 1.562 . . . . 99.99 111.497 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 60.29 77.79 0.31 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.154 1.382 . . . . 99.99 112.344 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -107.16 -61.31 1.57 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.469 -0.787 . . . . 99.99 109.646 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -162.8 -64.23 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.85 0.46 . . . . 99.99 110.689 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.73 -55.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-N 114.029 -1.441 . . . . 99.99 107.415 174.167 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 119.57 -0.253 . . . . 99.99 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m 62.05 91.25 0.07 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.799 1.24 . . . . 99.99 112.133 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.42 -48.84 68.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.85 -0.796 . . . . 99.99 108.85 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 66.59 -72.68 0.08 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.421 1.488 . . . . 99.99 110.423 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -136.97 -73.73 0.43 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 44.45 75.99 0.09 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.562 1.545 . . . . 99.99 112.436 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 29.7 p -81.1 64.16 5.74 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 121.936 0.874 . . . . 99.99 109.839 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -85.09 85.32 7.49 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 114.594 -1.184 . . . . 99.99 108.941 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.765 ' SD ' ' HA3' ' C' ' 148' ' ' GLY . 4.0 mpp? 60.79 112.96 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.277 1.431 . . . . 99.99 111.291 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 87.5 m -85.92 122.54 30.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.862 0.865 . . . . 99.99 109.969 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.468 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 -124.55 118.56 26.84 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.053 0.541 . . . . 99.99 110.122 172.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' E' ' 135' ' ' VAL . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 82.71 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 99.99 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.465 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 17.72 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.452 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' THR . . . . . 0.411 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 9.52 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 51.3 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 13.13 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 15.89 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 10.19 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.658 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 26.52 108.467 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 43.6 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 57.64 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.522 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 78.76 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.431 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 99.99 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 72.29 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 99.99 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 99.99 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.51 HD21 HD13 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 99.99 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.689 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 90.89 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 55.92 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' SER . . . . . 0.516 ' HB2' HD21 ' E' ' 278' ' ' LEU . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 78.18 110.618 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 57.25 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' C' ' 56' ' ' TYR . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 99.99 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 97.58 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.54 ' HD2' HD23 ' E' ' 278' ' ' LEU . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.457 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 43.88 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 30.1 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.621 HD22 HD13 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 99.67 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 31.81 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.79 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 29.1 108.016 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 36.6 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 38.08 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 65.72 110.838 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 99.99 109.448 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 83.21 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 40.89 110.295 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 38.89 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 66.65 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 32.91 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 14.84 109.35 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 26.52 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 12.17 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 39.17 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.477 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.554 HG21 ' HG ' ' C' ' 97' ' ' CYS . 36.3 pt -132.76 141.57 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . 179.5 -173.4 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.088 0.955 . . . . 99.99 111.059 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.98 -5.6 32.3 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 37.0 mm 65.18 79.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.454 1.502 . . . . 99.99 107.561 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' C' ' 94' ' ' MET . 13.6 mt-10 -94.17 -25.71 16.99 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.525 -1.671 . . . . 99.99 109.982 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 -111.75 4.2 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-N 115.774 -0.648 . . . . 99.99 113.542 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 74.6 p -71.05 -22.26 62.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.329 0.652 . . . . 99.99 111.575 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -71.99 -47.78 49.59 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.455 0.702 . . . . 99.99 109.561 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.57 ' HB3' ' HB2' ' C' ' 90' ' ' GLU . 18.6 ptm -69.09 -24.9 64.2 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.226 0.21 . . . . 99.99 111.091 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.02 68.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.321 0.648 . . . . 99.99 111.346 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.39 -56.93 6.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.535 -0.543 . . . . 99.99 109.535 167.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.554 ' HG ' HG21 ' C' ' 86' ' ' ILE . 42.1 t -51.14 -51.61 51.93 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.497 HD11 ' HG ' ' E' ' 280' ' ' LEU . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . 0.431 ' N ' HD13 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 81.7 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 68.22 111.463 -173.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.536 ' HH ' ' HB2' ' A' ' 132' ' ' ASN . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 85.73 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 52.77 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 18.22 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.621 HD13 HD22 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 62.78 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 20.21 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . 0.446 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 17.97 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 10.09 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 18.56 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.879 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 31.03 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 26.09 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.55 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 21.24 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 14.3 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 10.17 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.588 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 12.08 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 54.79 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 23.93 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.436 HG21 ' HB3' ' D' ' 17' ' ' TYR . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 27.3 110.524 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 36.76 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.584 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 44.0 111.648 173.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.475 HD23 HG23 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 92.07 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 43.42 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 64.09 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.429 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 45.54 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.531 ' HG3' HD13 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 40.22 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 98.11 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -61.78 -45.17 95.03 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.623 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 17.5 t70 -82.59 -32.71 28.31 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 118.815 -0.612 . . . . 99.99 111.819 -175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.17 -33.04 25.38 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.101 0.875 . . . . 99.99 111.838 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.18 -56.59 15.39 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.082 0.953 . . . . 99.99 110.843 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -68.27 -21.78 64.78 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.555 0.742 . . . . 99.99 111.339 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 135' ' ' ALA . 11.2 tmm? -77.75 -51.63 10.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.117 0.967 . . . . 99.99 110.0 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -65.99 -33.53 76.01 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.406 0.682 . . . . 99.99 110.873 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -70.59 -154.52 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.942 0.897 . . . . 99.99 110.286 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 52.1 tp -147.17 131.43 17.47 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.107 -0.996 . . . . 99.99 109.789 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.25 120.3 36.29 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -62.2 -42.36 99.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.99 0.916 . . . . 99.99 112.295 -168.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -101.62 11.22 39.29 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.939 0.896 . . . . 99.99 110.267 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 73.75 -62.07 0.48 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.706 1.602 . . . . 99.99 111.458 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -165.3 -60.26 0.02 OUTLIER Glycine 0 C--N 1.336 0.538 0 N-CA-C 110.059 -1.217 . . . . 99.99 110.059 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.39 104.19 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.252 1.421 . . . . 99.99 111.376 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . 0.765 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . -97.37 38.21 3.18 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-O 119.542 -0.588 . . . . 99.99 112.725 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 19.6 m 70.7 -72.28 0.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.697 1.599 . . . . 99.99 112.488 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.83 116.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.161 1.784 . . . . 99.99 109.2 -171.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.15 -46.23 75.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.019 1.328 . . . . 99.99 111.828 -173.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -87.54 -29.34 21.38 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.5 -0.773 . . . . 99.99 110.754 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.88 28.6 17.48 Favored 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 124.354 1.061 . . . . 99.99 109.476 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -150.77 -63.73 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.631 0.772 . . . . 99.99 109.654 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 179.145 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.005 -0.369 . . . . 99.99 110.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m 71.8 -67.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.192 1.397 . . . . 99.99 110.494 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -76.41 170.82 15.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.653 0.781 . . . . 99.99 108.922 166.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 66.82 22.19 10.3 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.131 0.972 . . . . 99.99 111.665 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -76.77 158.76 30.67 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.018 0.527 . . . . 99.99 110.502 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -117.96 179.87 3.96 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.567 0.747 . . . . 99.99 109.737 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 11.5 m -79.5 83.46 5.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.166 0.587 . . . . 99.99 110.365 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -170.76 139.12 1.47 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.914 1.286 . . . . 99.99 107.549 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 26.2 ttt -34.9 133.04 0.3 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.002 0.921 . . . . 99.99 112.977 171.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -118.94 138.97 52.42 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.572 ' HD2' HG23 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 79.57 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.454 ' HB ' ' ND2' ' E' ' 85' ' ' ASN . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 99.99 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.448 HD11 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 81.0 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.436 ' HB3' HG21 ' C' ' 122' ' ' THR . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 28.79 111.174 -168.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 14.92 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 58.5 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.588 HG21 ' HE1' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 14.63 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 15.53 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 6.05 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 14.28 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 16.78 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 22.87 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.413 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 21.13 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 30.2 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 64.18 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.643 ' HZ3' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 34.41 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . 0.447 ' HB3' HD21 ' E' ' 155' ' ' LEU . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 54.02 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 34.31 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.479 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 83.42 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 99.99 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 97.22 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.678 ' HA ' ' HB3' ' E' ' 111' ' ' LEU . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 99.99 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 62.54 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 55.71 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 61.91 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 93.38 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 99.99 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 99.99 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.577 ' HB3' HD21 ' D' ' 98' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 71.26 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 36.06 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 79.92 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.786 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 22.5 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 23.18 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.501 HG22 HG21 ' D' ' 114' ' ' ILE . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 24.43 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.73 ' HB ' ' HG2' ' E' ' 257' ' ' GLN . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 32.61 108.354 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 25.12 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.482 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 49.15 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 32.34 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 33.15 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.643 ' HG2' ' HZ3' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 19.1 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.482 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 12.32 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 8.66 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.484 HD22 HE22 ' E' ' 257' ' ' GLN . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 19.44 107.52 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.486 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 10.02 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.786 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 29.4 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.3 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 65.32 107.807 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 99.99 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.612 HG13 HD11 ' E' ' 97' ' ' ILE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 99.99 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.449 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.652 ' HB3' ' HG2' ' E' ' 79' ' ' GLU . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 99.99 112.096 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.416 ' HE1' ' HE2' ' D' ' 138' ' ' MET . 8.8 t-80 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.623 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 70.12 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 64.46 110.928 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 46.86 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 45.41 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.601 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 38.42 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 87.71 109.281 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' D' ' 102' ' ' CYS . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 35.35 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' D' ' 103' ' ' PRO . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 21.86 111.963 -173.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 12.38 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 8.42 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 15.0 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 17.35 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 12.17 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.56 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.501 HG21 HG22 ' D' ' 64' ' ' VAL . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 19.17 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 19.58 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 14.23 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.486 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 6.04 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 19.19 109.596 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 16.36 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 7.12 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 35.79 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 27.88 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 17.97 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 33.77 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 99.99 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.455 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 35.86 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 48.78 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 48.18 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.654 HG22 HG13 ' E' ' 121' ' ' VAL . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 95.86 109.304 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.466 ' HB2' ' HA2' ' E' ' 74' ' ' GLY . 16.6 m120 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.565 ' HA ' HD13 ' D' ' 136' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -34.98 -52.59 0.55 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.69 91.1 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.69 1.196 . . . . 99.99 112.403 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.565 HD13 ' HA ' ' D' ' 133' ' ' PHE . 5.9 mp -72.74 -52.44 15.1 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.662 -0.699 . . . . 99.99 110.13 -173.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.467 ' HB2' HD11 ' E' ' 111' ' ' LEU . 6.8 t80 -69.79 -29.87 67.29 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.981 0.512 . . . . 99.99 110.807 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.553 ' SD ' ' HE2' ' E' ' 75' ' ' MET . 36.7 ttm -53.74 -43.55 69.21 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.679 1.192 . . . . 99.99 110.819 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.15 -42.51 80.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.605 -1.179 . . . . 99.99 109.687 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.404 ' HB3' ' CE2' ' E' ' 109' ' ' TYR . 55.3 m-85 -64.93 -27.69 69.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.663 0.616 . . . . 99.99 112.663 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.28 -49.25 67.74 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.007 0.523 . . . . 99.99 110.798 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -78.72 2.86 18.23 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.367 0.667 . . . . 99.99 111.407 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -118.46 49.78 1.25 Allowed 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . 0.432 HE21 ' HD1' ' E' ' 109' ' ' TYR . 8.7 tp-100 -156.21 128.25 7.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.048 -1.433 . . . . 99.99 109.04 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -135.53 29.03 3.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 99.99 109.928 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.87 -64.71 3.72 Favored Glycine 0 C--N 1.359 1.807 0 O-C-N 123.512 0.507 . . . . 99.99 111.852 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 54.65 94.11 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.437 . . . . 99.99 112.579 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.26 -0.33 86.88 Favored Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.51 -0.605 . . . . 99.99 113.326 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 24.2 m 69.34 -66.37 0.26 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.615 1.566 . . . . 99.99 110.295 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -118.62 -80.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.971 0.908 . . . . 99.99 109.109 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 44.26 -131.32 0.82 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.097 1.359 . . . . 99.99 110.682 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 62.2 t60 70.14 4.79 5.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.062 0.945 . . . . 99.99 112.506 164.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.76 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.821 0.848 . . . . 99.99 110.469 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.31 -62.83 1.48 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.793 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.622 0.769 . . . . 99.99 110.232 -173.199 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.534 ' SD ' ' HE3' ' B' ' 41' ' ' LYS . 1.5 pmm? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 70.84 108.24 0.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.662 1.185 . . . . 99.99 108.348 -164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -55.75 136.34 51.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.861 0.865 . . . . 99.99 110.818 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' SER . . . . . 0.593 ' H ' ' HB3' ' E' ' 218' ' ' LEU . 41.0 m 66.71 108.86 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.265 1.426 . . . . 99.99 110.968 -169.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.426 HG23 ' H ' ' B' ' 40' ' ' VAL . 10.2 p -55.26 -43.57 74.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.17 0.988 . . . . 99.99 111.094 175.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' B' ' 128' ' ' LEU . 50.5 mm -84.35 89.32 2.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.91 0.862 . . . . 99.99 108.846 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.64 -169.21 2.65 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 113.517 -1.674 . . . . 99.99 108.886 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -165.82 -23.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.452 -0.944 . . . . 99.99 108.452 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . 70.65 -86.7 0.03 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.636 1.174 . . . . 99.99 110.834 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.457 HD11 HD13 ' B' ' 136' ' ' LEU . 43.9 tp -171.42 -94.61 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.052 0.541 . . . . 99.99 110.157 -174.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' HE1' ' B' ' 137' ' ' PHE . 20.0 tp 166.6 139.29 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 N-CA-C 106.309 -1.737 . . . . 99.99 106.309 -166.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' HA ' ' B' ' 45' ' ' ASP . 42.1 Cg_exo -59.56 -43.33 40.15 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.834 2.356 . . . . 99.99 113.414 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 tp -156.69 155.12 31.16 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.749 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.53 173.51 8.79 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.27 0.557 . . . . 99.99 111.656 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.83 112.46 7.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.07 -0.968 . . . . 99.99 110.089 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -65.57 -40.44 41.33 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 114.706 1.373 . . . . 99.99 114.706 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.52 -17.89 53.73 Favored 'Trans proline' 0 C--N 1.402 3.345 0 CA-C-N 122.013 1.755 . . . . 99.99 113.597 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.6 -62.94 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 N-CA-C 108.968 -0.753 . . . . 99.99 108.968 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.8 t 179.69 177.34 0.61 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.233 1.413 . . . . 99.99 109.162 172.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 116.17 13.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.308 0.643 . . . . 99.99 109.742 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.34 54.68 2.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.956 0.903 . . . . 99.99 111.579 -169.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.34 134.07 3.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.631 -0.507 . . . . 99.99 109.631 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.8 p -74.02 145.84 84.14 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.862 0.865 . . . . 99.99 110.45 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . 0.462 ' HB3' ' HA ' ' E' ' 323' ' ' GLN . 74.0 Cg_endo -74.59 160.28 41.53 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.391 2.061 . . . . 99.99 110.775 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.76 176.56 7.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.41 1.084 . . . . 99.99 109.012 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' E' ' 27' ' ' PRO . 58.5 mtm -136.08 -55.83 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 107.97 -1.122 . . . . 99.99 107.97 169.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' E' ' 26' ' ' MET . 89.0 Cg_endo -92.42 96.9 0.18 Allowed 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 121.765 1.644 . . . . 99.99 110.743 172.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' E' ' 50' ' ' ASP . 57.6 t -63.31 115.47 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 115.093 -0.958 . . . . 99.99 110.475 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . 0.582 HD11 ' HB1' ' E' ' 53' ' ' ALA . 57.4 tp 76.29 -58.8 0.52 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.716 1.606 . . . . 99.99 111.675 175.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' E' ' 27' ' ' PRO . 36.0 mt-10 -92.62 117.77 30.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.776 0.83 . . . . 99.99 110.65 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -70.01 -29.15 66.15 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 99.99 110.575 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -74.65 -32.29 62.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.498 -0.774 . . . . 99.99 109.739 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.88 80.16 0.22 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.018 1.327 . . . . 99.99 110.831 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.16 37.09 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 108.482 -0.933 . . . . 99.99 108.482 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 56.16 99.99 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.587 1.555 . . . . 99.99 112.866 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.94 84.58 0.11 Allowed Glycine 0 C--N 1.341 0.841 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 78.83 6.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 mt 28.01 -93.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.676 0 C-N-CA 126.307 1.843 . . . . 99.99 112.233 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.33 -85.1 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.989 1.316 . . . . 99.99 108.59 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.34 -48.73 5.51 Favored Pre-proline 0 N--CA 1.48 1.043 0 CA-C-O 119.125 -0.464 . . . . 99.99 110.268 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.59 157.07 18.92 Favored 'Trans proline' 0 C--N 1.388 2.644 0 CA-C-N 120.193 1.105 . . . . 99.99 111.515 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.36 -10.43 38.85 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-N 116.129 -0.487 . . . . 99.99 112.887 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.67 -138.67 16.51 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.608 -0.597 . . . . 99.99 111.608 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.37 153.59 37.69 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.107 0.563 . . . . 99.99 109.848 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -60.77 -48.56 81.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.991 0.516 . . . . 99.99 111.023 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . 0.265 3.4 ppt_? 31.96 55.88 0.33 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.387 1.875 . . . . 99.99 113.776 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.35 -33.67 74.01 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.461 -1.7 . . . . 99.99 111.516 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -61.59 -50.82 71.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.567 0.747 . . . . 99.99 109.952 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.96 -84.24 0.01 OUTLIER Glycine 0 C--N 1.363 2.076 0 O-C-N 124.51 1.131 . . . . 99.99 115.103 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . 0.445 ' HB2' HG13 ' E' ' 28' ' ' VAL . 19.3 t70 -69.57 -17.69 63.57 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.901 1.281 . . . . 99.99 111.897 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.86 -34.43 75.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.559 1.144 . . . . 99.99 112.682 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' THR . . . . . 0.473 ' HG1' HD13 ' E' ' 29' ' ' LEU . 1.0 OUTLIER -68.54 -24.87 64.69 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.171 0.434 . . . . 99.99 112.171 176.22 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . 0.582 ' HB1' HD11 ' E' ' 29' ' ' LEU . . . -89.92 -14.12 34.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.573 0.749 . . . . 99.99 110.932 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.29 86.61 0.81 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.088 0.555 . . . . 99.99 110.918 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 71.87 -71.76 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.911 1.684 . . . . 99.99 110.543 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 79.48 126.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.616 1.567 . . . . 99.99 109.022 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 69.44 -161.74 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.675 1.19 . . . . 99.99 110.467 -170.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' SER . . . . . 0.709 ' HA ' ' HB3' ' E' ' 61' ' ' ASP . 14.7 t 74.79 21.12 2.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.048 1.339 . . . . 99.99 111.208 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mp -64.07 -66.53 0.53 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.949 0.5 . . . . 99.99 110.205 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -83.0 -22.75 33.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.776 0.831 . . . . 99.99 110.82 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 9.7 t70 -76.24 112.55 12.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.527 ' HZ2' ' HA ' ' E' ' 62' ' ' LYS . 0.0 OUTLIER -94.28 113.0 59.71 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.555 0.742 . . . . 99.99 110.695 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . 0.559 ' HA ' ' HG2' ' E' ' 178' ' ' PRO . 93.1 Cg_endo -84.12 -11.58 8.59 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.294 1.996 . . . . 99.99 112.548 168.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.2 155.92 5.59 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.798 0.686 . . . . 99.99 112.402 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.51 ' HB2' ' HZ3' ' E' ' 65' ' ' LYS . 0.0 OUTLIER -170.11 172.75 6.23 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.898 1.279 . . . . 99.99 109.637 162.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -166.09 157.82 13.89 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 tp -171.13 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.702 1.201 . . . . 99.99 108.96 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . 0.511 HG22 ' H ' ' E' ' 69' ' ' LEU . 10.9 mt -130.09 -178.97 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.145 -1.057 . . . . 99.99 108.145 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.529 ' HG ' ' H ' ' E' ' 70' ' ' LEU . 14.0 tp -139.0 -160.05 1.02 Allowed 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 107.991 -1.115 . . . . 99.99 107.991 168.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.529 ' H ' ' HG ' ' E' ' 69' ' ' LEU . 91.5 mt -62.64 -32.39 73.42 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.929 0.892 . . . . 99.99 112.179 -174.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 pp -120.34 153.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.359 -0.978 . . . . 99.99 108.359 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.77 80.01 0.05 OUTLIER Glycine 0 C--N 1.346 1.136 0 O-C-N 123.324 0.39 . . . . 99.99 112.209 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.4 131.98 41.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.618 -0.882 . . . . 99.99 108.618 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . 0.466 ' HA2' ' HB2' ' D' ' 132' ' ' ASN . . . -167.44 159.86 33.31 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 120.906 -0.664 . . . . 99.99 113.982 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 75' ' ' MET . . . . . 0.553 ' HE2' ' SD ' ' D' ' 138' ' ' MET . 18.3 tmm? -154.11 118.27 4.79 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.234 -1.025 . . . . 99.99 108.234 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.42 131.24 44.36 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 124.052 0.845 . . . . 99.99 113.32 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.43 150.68 41.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.377 0.671 . . . . 99.99 111.594 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -75.67 -16.18 60.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.707 1.203 . . . . 99.99 112.643 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.652 ' HG2' ' HB3' ' D' ' 93' ' ' GLN . 0.3 OUTLIER -55.5 -52.33 64.03 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.884 0.874 . . . . 99.99 110.5 -176.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.631 HG21 ' HG2' ' E' ' 235' ' ' GLU . 53.5 mt 63.27 76.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.563 1.145 . . . . 99.99 108.74 -171.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -87.53 131.95 34.2 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.235 -0.893 . . . . 99.99 110.782 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 111.75 23.65 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.935 -1.876 . . . . 99.99 105.935 162.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' D' ' 11' ' ' PHE . . . -81.99 -89.29 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 118.882 -0.58 . . . . 99.99 112.522 -168.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.506 ' HD3' ' HG3' ' E' ' 193' ' ' PRO . 31.3 mtm180 77.08 178.15 0.16 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.486 1.514 . . . . 99.99 112.009 -171.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HB ' ' D' ' 13' ' ' ILE . 25.6 t-20 -144.17 159.07 43.28 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.044 -0.98 . . . . 99.99 109.279 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -174.44 86.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.458 1.503 . . . . 99.99 107.104 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.43 167.17 21.2 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.374 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 69.08 -77.1 0.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.249 1.419 . . . . 99.99 111.229 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.98 -60.96 4.8 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.116 -0.394 . . . . 99.99 112.116 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.12 31.76 10.72 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.976 1.31 . . . . 99.99 112.2 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.4 0.44 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.184 -0.766 . . . . 99.99 111.184 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.05 131.73 12.73 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 111.031 -0.827 . . . . 99.99 111.031 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -61.1 -69.18 0.25 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.03 0.932 . . . . 99.99 111.693 -172.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -165.28 172.83 11.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.969 0.508 . . . . 99.99 110.488 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -146.63 145.12 29.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.108 0.963 . . . . 99.99 110.045 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . 0.449 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . 140.76 -104.72 0.4 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.996 -0.442 . . . . 99.99 111.996 173.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.612 HD11 HG13 ' D' ' 86' ' ' ILE . 24.4 pt -90.12 98.64 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.271 0.628 . . . . 99.99 110.232 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.52 -46.35 90.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.671 0.788 . . . . 99.99 111.78 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.63 127.67 40.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.475 0.71 . . . . 99.99 109.157 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' D' ' 56' ' ' TYR . 3.2 mp -124.53 83.07 58.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.883 -1.154 . . . . 99.99 107.883 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -98.72 116.98 0.11 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 122.585 2.19 . . . . 99.99 112.507 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -68.6 158.98 32.86 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 166.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 73.6 p -60.4 -43.45 96.64 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.337 -0.847 . . . . 99.99 109.703 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.77 92.84 0.21 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -60.76 -46.18 91.47 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.889 0.875 . . . . 99.99 110.274 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -99.81 140.49 33.94 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.162 -1.051 . . . . 99.99 108.162 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 107' ' ' THR . . . . . 0.776 ' HB ' ' HA ' ' E' ' 110' ' ' ALA . 1.3 p -74.64 83.04 2.06 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.616 0.766 . . . . 99.99 112.197 -174.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -82.13 -40.22 22.18 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.511 1.125 . . . . 99.99 109.728 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.432 ' HE2' ' HE1' ' D' ' 137' ' ' PHE . 0.4 OUTLIER -77.77 -22.32 50.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.53 0.332 . . . . 99.99 110.674 169.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . 0.776 ' HA ' ' HB ' ' E' ' 107' ' ' THR . . . 69.97 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.479 1.511 . . . . 99.99 112.614 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.678 ' HB3' ' HA ' ' D' ' 45' ' ' ASP . 46.8 tp -71.69 -44.82 63.55 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.6 129.36 34.84 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.854 -0.795 . . . . 99.99 108.854 171.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -92.48 22.09 4.87 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 99.99 111.005 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 85.44 120.54 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.604 1.962 . . . . 99.99 110.984 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 14.0 m -58.13 -19.96 36.74 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.053 1.741 . . . . 99.99 113.705 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 -20.3 57.66 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 114.311 0.484 . . . . 99.99 114.311 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . 0.751 ' HZ1' ' HB2' ' E' ' 117' ' ' LYS . 0.0 OUTLIER -128.95 155.04 80.27 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.872 0.869 . . . . 99.99 108.762 176.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . 0.518 ' HG3' ' HB1' ' E' ' 253' ' ' ALA . 47.0 Cg_exo -57.19 106.16 0.22 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.294 2.663 . . . . 99.99 111.844 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.6 -50.04 54.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.992 0.917 . . . . 99.99 110.243 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -170.12 -51.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.744 1.218 . . . . 99.99 108.003 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.686 ' HA ' ' HG3' ' E' ' 245' ' ' LYS . 29.9 m -104.88 140.87 21.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 C-N-CA 123.888 0.875 . . . . 99.99 109.618 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 20.5 p -142.23 -56.48 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.761 0.824 . . . . 99.99 110.178 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . 0.403 ' HB3' ' HE3' ' E' ' 245' ' ' LYS . 30.2 t70 -67.86 142.3 56.16 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.327 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -130.79 152.07 50.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.736 1.214 . . . . 99.99 108.403 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.05 104.49 4.31 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.949 0.5 . . . . 99.99 109.8 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -158.54 173.27 16.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.457 1.103 . . . . 99.99 109.394 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 34.4 p -155.09 141.32 18.52 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.997 0.519 . . . . 99.99 110.472 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.91 175.94 6.5 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.618 0.767 . . . . 99.95 111.057 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.9 m -135.85 142.11 44.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.987 0.915 . . . . 99.99 109.983 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.82 -165.49 1.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.182 0.993 . . . . 99.99 110.368 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 124' ' ' PRO . 21.0 p90 -154.29 172.66 17.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.64 0.776 . . . . 99.99 110.712 -172.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 52.9 m -146.93 -84.09 0.12 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.039 0.535 . . . . 99.99 111.729 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 125' ' ' GLN . 26.2 m 50.13 80.23 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.294 1.437 . . . . 99.99 110.563 -163.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.68 98.41 1.8 Allowed Glycine 0 C--N 1.344 0.993 0 CA-C-N 114.427 -1.261 . . . . 99.66 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' C' ' 12' ' ' GLN . 27.1 m -63.55 169.28 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.577 0.751 . . . . 99.99 110.995 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' E' ' 145' ' ' ASP . 30.8 ttmt -163.02 171.61 16.24 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 42.7 m 75.93 129.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.915 1.286 . . . . 99.99 110.087 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -114.59 -54.13 2.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.05 0.94 . . . . 99.99 109.455 -175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -73.53 125.89 28.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.386 0.674 . . . . 99.99 110.658 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.24 -63.43 4.48 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.64 0.588 . . . . 99.99 112.508 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' E' ' 465' ' ' LYS . . . -113.31 131.77 55.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.98 0.912 . . . . 99.99 109.011 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . 0.531 HD22 ' HB ' ' A' ' 131' ' ' VAL . 7.8 mp -97.0 41.25 1.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.938 0.895 . . . . 99.99 109.982 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 144.66 91.08 0.12 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.185 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' E' ' 467' ' ' ALA . 4.2 p -147.97 82.08 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 122.097 0.951 . . . . 99.99 108.924 168.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' E' ' 136' ' ' LYS . 12.7 t70 -153.36 121.15 6.02 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.794 -1.094 . . . . 99.99 108.522 167.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.47 88.94 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.517 -0.919 . . . . 99.99 108.517 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -142.33 113.09 7.38 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.15 -0.932 . . . . 99.99 109.501 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . 0.552 ' HG2' ' H ' ' E' ' 133' ' ' THR . 4.0 tm-20 -165.33 -67.87 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 98.11 3.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.251 -0.886 . . . . 99.99 110.322 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.63 162.15 27.98 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 107.032 -1.47 . . . . 99.99 107.032 163.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -53.3 114.35 5.95 Favored Pre-proline 0 N--CA 1.48 1.062 0 C-N-CA 122.702 0.401 . . . . 99.99 110.693 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.75 139.97 92.05 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 99.99 111.868 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 48.4 p -86.43 -178.19 6.38 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.293 -0.867 . . . . 99.99 111.081 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.68 -0.64 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 123.809 0.844 . . . . 99.99 112.156 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' D' ' 36' ' ' TRP . 2.1 tm? -49.33 -37.41 24.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.328 1.451 . . . . 99.99 112.399 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.23 102.5 0.09 Allowed 'General case' 0 C--N 1.36 1.035 0 N-CA-C 108.324 -0.991 . . . . 99.99 108.324 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.509 ' HB3' ' HB3' ' E' ' 160' ' ' ALA . 54.4 ttm -94.19 -23.88 17.72 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.195 -0.911 . . . . 99.99 111.246 -166.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 68.36 -67.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.095 1.358 . . . . 99.99 111.681 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -63.12 -3.75 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.83 1.252 . . . . 99.99 113.25 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . 0.509 ' HB3' ' HB3' ' E' ' 157' ' ' MET . . . -51.8 -36.27 47.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.46 1.104 . . . . 99.99 111.581 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -100.14 87.65 3.52 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.536 -0.912 . . . . 99.99 108.536 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.2 136.79 24.23 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.185 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.21 79.16 2.33 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.557 0.743 . . . . 99.99 111.057 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.05 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.644 1.578 . . . . 99.99 112.545 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 18.1 m 61.56 72.31 0.52 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.513 1.525 . . . . 99.99 110.638 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -95.74 -63.34 0.97 Allowed Glycine 0 C--N 1.342 0.9 0 CA-C-N 114.087 -1.415 . . . . 99.99 111.698 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.27 -46.69 0.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 125.783 1.633 . . . . 99.99 111.505 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.05 -17.16 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 126.272 1.829 . . . . 99.99 114.58 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 6.7 m -75.87 18.81 0.24 Allowed 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.942 1.297 . . . . 99.99 114.093 -168.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 170' ' ' THR . . . . . 0.405 HG21 ' H ' ' E' ' 171' ' ' ALA . 2.2 t -145.14 -72.64 0.25 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.615 0.643 . . . . 99.99 112.031 -175.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . 0.405 ' H ' HG21 ' E' ' 170' ' ' THR . . . -97.03 23.8 6.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.565 0.746 . . . . 99.99 112.675 -164.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -114.88 -78.44 0.58 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.834 0.453 . . . . 99.99 110.134 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . 0.433 HD21 ' H ' ' E' ' 238' ' ' THR . 54.7 tp -154.45 118.96 4.83 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.9 175.82 7.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.765 0.826 . . . . 99.99 109.542 168.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -52.68 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.064 0.946 . . . . 99.99 111.283 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 52.51 31.12 9.35 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.353 1.061 . . . . 99.99 113.062 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 54.9 p -63.32 -34.22 12.63 Favored Pre-proline 0 CA--C 1.567 1.633 0 N-CA-C 114.524 1.305 . . . . 99.99 114.524 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' E' ' 63' ' ' PRO . 3.1 Cg_exo -86.19 41.74 0.87 Allowed 'Trans proline' 0 C--N 1.393 2.9 0 C-N-CA 122.291 1.994 . . . . 99.99 113.603 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.83 83.38 4.18 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.824 0.45 . . . . 99.99 110.305 176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . 0.49 ' HB2' ' SG ' ' E' ' 190' ' ' CYS . . . -166.62 -143.87 0.06 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.263 1.025 . . . . 99.99 109.365 -176.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.25 131.29 34.83 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.364 -0.606 . . . . 99.99 109.364 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . 0.45 HG23 ' H ' ' E' ' 186' ' ' THR . 5.3 m -133.62 116.83 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.406 1.082 . . . . 99.99 109.078 -175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -82.72 62.12 6.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.613 0.765 . . . . 99.99 110.898 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 176.83 -31.02 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.596 1.159 . . . . 99.99 110.493 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t 71.68 106.49 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.051 1.34 . . . . 99.99 108.268 -163.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 186' ' ' THR . . . . . 0.45 ' H ' HG23 ' E' ' 182' ' ' VAL . 43.4 m 72.0 112.96 0.06 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.258 1.423 . . . . 99.99 109.642 -170.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 41.3 m 73.14 164.29 0.28 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.794 1.238 . . . . 99.99 112.073 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 73.94 133.75 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.752 1.621 . . . . 99.99 110.727 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.9 -140.76 0.53 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.3 1.44 . . . . 99.99 112.582 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . 0.556 ' SG ' ' HA ' ' E' ' 178' ' ' PRO . 23.2 t 74.0 -70.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.983 1.313 . . . . 99.99 110.585 -169.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . 0.49 ' HD2' HG22 ' E' ' 232' ' ' THR . 59.2 t80 -155.49 148.47 24.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.285 0.634 . . . . 99.99 109.491 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 79.93 -176.89 54.55 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 123.423 0.452 . . . . 99.99 112.636 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . 0.506 ' HG3' ' HD3' ' E' ' 84' ' ' ARG . 44.5 Cg_endo -84.61 -3.31 9.95 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.234 2.623 . . . . 99.99 112.541 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 14.3 m 66.81 -165.57 0.22 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 124.914 1.286 . . . . 99.99 111.12 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . 0.447 ' HB1' ' H ' ' E' ' 61' ' ' ASP . . . -73.98 80.49 1.68 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 108.764 -0.828 . . . . 99.99 108.764 167.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 22.4 m -61.56 -49.82 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.719 -0.845 . . . . 99.99 108.719 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 15.1 m 48.49 87.62 0.02 OUTLIER 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.523 1.765 . . . . 99.99 111.828 170.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.62 91.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.699 0.624 . . . . 99.99 110.177 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 67.27 166.42 0.23 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.423 1.489 . . . . 99.99 110.536 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' E' ' 201' ' ' PRO . 75.5 m -61.42 117.72 30.09 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' E' ' 200' ' ' CYS . 11.9 Cg_exo -70.91 69.49 2.27 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.366 2.71 . . . . 99.99 112.298 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -87.55 -22.93 41.51 Favored Glycine 0 N--CA 1.469 0.89 0 CA-C-O 119.617 -0.546 . . . . 99.99 113.324 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 6.0 t30 68.99 -67.62 0.21 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.643 1.577 . . . . 99.99 110.779 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -150.85 50.15 0.86 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 61.2 tp 71.46 -77.53 0.05 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.657 1.583 . . . . 99.99 110.428 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . 0.698 ' HG2' ' HG3' ' E' ' 207' ' ' LYS . 42.2 tt0 -106.23 -77.95 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.343 0.657 . . . . 99.99 109.496 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . 0.698 ' HG3' ' HG2' ' E' ' 206' ' ' GLU . 84.4 mttt -119.23 -58.7 1.91 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.53 -0.915 . . . . 99.99 108.53 -176.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 101.62 -43.86 1.64 Allowed Glycine 0 C--N 1.351 1.391 0 CA-C-N 115.467 -0.788 . . . . 99.99 112.178 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 80.79 -75.72 2.22 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 112.166 -0.374 . . . . 99.99 112.166 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -147.56 113.99 5.96 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -109.83 162.09 12.79 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.515 0.509 . . . . 99.99 112.171 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 48.0 p -71.43 120.01 16.4 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.222 0.609 . . . . 99.99 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.411 HG23 ' H ' ' E' ' 214' ' ' THR . 11.8 mt 61.47 170.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.711 0 C-N-CA 124.902 1.281 . . . . 99.99 111.098 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 214' ' ' THR . . . . . 0.558 ' HB ' ' HB3' ' E' ' 219' ' ' ASN . 71.9 p -93.56 5.41 51.68 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.16 -0.963 . . . . 99.99 111.146 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.52 -33.3 75.6 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.104 0.409 . . . . 99.99 112.104 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . 0.42 ' HB2' HD13 ' E' ' 217' ' ' LEU . 42.7 mt-30 -83.77 -50.28 8.28 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.664 0.786 . . . . 99.99 109.559 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' E' ' 216' ' ' GLN . 6.2 mp -85.59 93.6 8.85 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.991 -1.004 . . . . 99.99 109.737 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . 0.593 ' HB3' ' H ' ' E' ' 4' ' ' SER 0.253 4.0 pp 59.25 -63.03 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 127.69 2.396 . . . . 99.99 116.282 168.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.558 ' HB3' ' HB ' ' E' ' 214' ' ' THR . 54.8 t30 -72.28 77.41 1.0 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.364 1.066 . . . . 99.99 112.068 -172.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 158.29 -55.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.771 2.428 . . . . 99.99 107.363 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -108.31 89.46 3.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.001 0.92 . . . . 99.99 108.87 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -125.59 37.92 4.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.767 0.827 . . . . 99.99 111.214 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -69.52 101.05 1.51 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.253 -1.017 . . . . 99.99 108.253 168.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 20.2 m -61.93 143.8 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 124.217 0.948 . . . . 99.99 111.947 -172.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 21.4 p -80.31 77.88 7.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.267 0.627 . . . . 99.99 109.694 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' E' ' 84' ' ' ARG . 3.0 mm? 54.47 -88.26 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 125.511 1.524 . . . . 99.99 111.283 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' E' ' 84' ' ' ARG . . . 67.95 177.59 12.17 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-O 119.475 -0.625 . . . . 99.99 114.283 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 45.8 52.91 9.11 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 115.651 1.02 . . . . 99.99 115.651 167.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 86.98 46.84 4.96 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.91 77.21 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.068 1.347 . . . . 99.99 114.148 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -85.3 -75.05 0.38 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.771 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 232' ' ' THR . . . . . 0.49 HG22 ' HD2' ' E' ' 191' ' ' TYR . 23.8 p -136.53 -84.09 0.36 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.6 0.76 . . . . 99.99 109.58 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' E' ' 62' ' ' LYS . 1.5 m-85 70.9 140.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 125.458 1.503 . . . . 99.99 111.33 -175.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.06 27.91 16.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.955 0.902 . . . . 99.99 111.829 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.631 ' HG2' HG21 ' E' ' 80' ' ' ILE . 2.0 tm-20 -71.88 153.84 41.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.015 -1.106 . . . . 99.99 108.015 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 236' ' ' THR . . . . . 0.4 ' HG1' HG12 ' E' ' 80' ' ' ILE . 18.1 m -60.22 91.26 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.614 0.766 . . . . 99.99 111.555 -176.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -151.94 141.37 21.58 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.19 -0.914 . . . . 99.99 109.198 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 238' ' ' THR . . . . . 0.433 ' H ' HD21 ' E' ' 173' ' ' LEU . 39.1 p -86.15 130.35 34.55 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.312 -0.625 . . . . 99.99 109.312 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -73.37 -11.12 60.37 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.342 0.657 . . . . 99.99 111.178 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 103.27 -34.47 5.74 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.908 -0.587 . . . . 99.99 111.838 -177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 49.96 -73.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 127.133 2.173 . . . . 99.99 113.69 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.2 t90 72.43 -66.79 0.29 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.761 1.624 . . . . 99.99 111.819 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -77.83 78.43 4.33 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.992 0.917 . . . . 99.99 108.719 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.94 18.91 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 114.844 -1.071 . . . . 99.99 110.789 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.686 ' HG3' ' HA ' ' E' ' 121' ' ' VAL . 38.5 mmtm -84.4 -65.57 0.99 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.093 0.557 . . . . 99.99 111.709 -171.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 24.8 p 59.85 -173.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 125.414 1.486 . . . . 99.99 111.708 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.6 pp -76.3 -18.05 59.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.525 -0.734 . . . . 99.99 111.069 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -58.19 -14.33 6.82 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 124.818 1.247 . . . . 99.99 113.465 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.86 -11.99 21.88 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.223 1.564 . . . . 99.99 115.223 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 31.5 mm-40 -43.33 -30.11 0.49 Allowed 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.846 1.425 . . . . 99.99 114.846 -163.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -51.78 -56.07 16.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.432 0.693 . . . . 99.99 111.481 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -85.61 -41.6 15.08 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 123.407 0.442 . . . . 99.99 110.54 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . 0.518 ' HB1' ' HG3' ' E' ' 118' ' ' PRO . . . -72.91 2.56 6.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.347 1.059 . . . . 99.99 113.678 -168.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -66.76 0.34 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 156.14 78.0 0.02 OUTLIER Glycine 0 C--N 1.344 1.027 0 C-N-CA 121.727 -0.273 . . . . 99.99 112.494 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -91.25 43.51 1.15 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.732 0.777 . . . . 99.99 109.488 172.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . 0.73 ' HG2' ' HB ' ' D' ' 65' ' ' THR . 58.4 tp60 -168.75 153.48 5.97 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.268 -0.878 . . . . 99.99 109.832 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 47.8 tp 82.82 -45.84 0.14 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.845 2.058 . . . . 99.99 109.835 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' E' ' 264' ' ' SER . 14.6 p -103.8 23.82 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 C-N-CA 124.731 1.212 . . . . 99.99 109.058 171.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.8 t 69.46 -69.78 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.232 1.413 . . . . 99.99 110.385 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 178.62 -158.67 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.025 1.73 . . . . 99.99 108.366 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.39 -19.0 63.82 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.542 0.737 . . . . 99.99 112.178 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -84.41 2.43 40.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.297 1.039 . . . . 99.99 112.596 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 264' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' E' ' 259' ' ' VAL . 19.6 p -57.69 94.7 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-O 121.608 0.718 . . . . 99.99 111.222 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 26.6 tp -103.9 17.09 24.83 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.026 -0.988 . . . . 99.99 109.88 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 57.9 t30 61.9 87.36 0.1 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.461 1.104 . . . . 99.99 110.738 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 22.7 t 61.22 87.55 0.09 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.054 1.342 . . . . 99.99 110.18 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.11 -68.07 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.638 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.3 t -164.48 44.97 0.1 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 122.226 1.012 . . . . 99.99 110.306 -172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -33.37 0.59 Allowed 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 115.469 -0.787 . . . . 99.99 112.726 -169.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -81.15 -69.13 0.63 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.19 0.441 . . . . 99.99 112.19 -168.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -117.63 -13.07 10.24 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.244 0.618 . . . . 99.99 111.289 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.93 -28.39 70.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.2 1.0 . . . . 99.99 112.022 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -83.96 -22.63 31.39 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.51 0.724 . . . . 99.99 112.072 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' C' ' 50' ' ' GLN . 82.1 tttt -103.12 122.16 46.37 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 122.582 0.353 . . . . 99.99 111.245 -171.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -95.51 -62.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 124.448 3.432 . . . . 99.99 113.247 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.465 ' H ' HD22 ' E' ' 277' ' ' LEU . 2.7 pt? -106.82 -159.71 0.71 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.991 0.916 . . . . 99.99 109.8 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.54 HD23 ' HD2' ' C' ' 56' ' ' TYR . 65.4 tp 84.03 123.46 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.025 1.73 . . . . 99.99 110.732 176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -151.57 42.06 0.73 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.158 -0.474 . . . . 99.99 112.106 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.497 ' HG ' HD11 ' C' ' 98' ' ' LEU . 4.5 mm? -89.07 176.84 6.82 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.173 0.589 . . . . 99.99 110.66 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 65.3 23.64 12.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.657 1.183 . . . . 99.99 111.625 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.607 0.763 . . . . 99.99 110.116 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -167.91 150.28 5.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.62 1.168 . . . . 99.99 109.077 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -136.99 126.59 3.75 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 110.94 -0.864 . . . . 99.99 110.94 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -86.6 -1.79 57.96 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.5 0.72 . . . . 99.99 111.729 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' A' ' 153' ' ' GLN . 3.3 mpp? -91.64 107.11 19.75 Favored Pre-proline 0 N--CA 1.477 0.878 0 N-CA-C 109.453 -0.573 . . . . 99.99 109.453 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.01 172.28 12.09 Favored 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.686 2.258 . . . . 99.99 110.808 171.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.94 -85.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 3' ' ' GLU . 79.1 mtt180 54.34 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 124.494 1.117 . . . . 99.99 112.093 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.522 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 95.8 m95 -99.15 107.03 19.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 172.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -149.01 173.72 28.83 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.35 143.72 89.53 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.956 3.104 . . . . 99.99 112.936 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -142.55 159.75 41.62 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.835 0.854 . . . . 99.99 110.558 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -157.13 96.81 1.61 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.388 1.075 . . . . 99.99 108.567 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 29.9 m -59.42 -52.28 66.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.595 0.758 . . . . 99.99 110.351 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -93.42 42.49 1.1 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.609 -0.723 . . . . 99.99 111.006 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -63.72 -49.94 71.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.857 0.863 . . . . 99.99 110.401 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 171.12 -137.58 4.47 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.195 -1.162 . . . . 99.99 110.195 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 56.98 23.91 8.86 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.264 1.025 . . . . 99.99 111.637 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.584 ' HB ' ' HG3' ' C' ' 124' ' ' PRO . 12.0 tt -128.53 137.9 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 124.558 1.143 . . . . 99.99 108.575 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -160.53 165.31 31.08 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.826 -1.175 . . . . 99.99 107.826 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.598 ' HB2' ' HZ2' ' E' ' 303' ' ' LYS . 0.1 OUTLIER -90.35 105.73 12.57 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.222 1.009 . . . . 99.99 108.313 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -75.6 108.0 2.6 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.528 2.152 . . . . 99.99 110.31 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -66.17 96.78 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.119 0.568 . . . . 99.99 110.196 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.613 HG12 HG23 ' E' ' 6' ' ' ILE . 27.6 m -78.52 120.22 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.888 -0.596 . . . . 99.99 110.364 -175.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 156.13 48.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.444 0.698 . . . . 99.99 110.91 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 53.8 t -108.16 80.07 1.33 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 168.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 5.3 p -95.28 104.11 14.33 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.809 . . . . 99.99 109.537 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.93 -37.66 4.77 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.891 2.394 . . . . 99.99 113.167 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.26 109.79 0.02 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 125.128 1.371 . . . . 99.99 110.689 -173.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.47 -30.44 15.8 Favored 'Trans proline' 0 C--N 1.384 2.432 0 C-N-CA 123.75 2.967 . . . . 99.99 114.215 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.544 ' NE2' ' HG3' ' E' ' 206' ' ' GLU . 0.0 OUTLIER -126.82 122.4 34.63 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.604 -0.888 . . . . 99.99 108.604 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' E' ' 314' ' ' ARG . 0.1 OUTLIER -86.99 -70.88 0.58 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.49 0.716 . . . . 99.99 110.106 -176.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -131.85 -43.96 0.98 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.032 0.533 . . . . 99.99 110.106 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -165.48 129.36 2.29 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.433 1.093 . . . . 99.99 108.506 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 50.3 m -80.76 104.17 11.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.777 0.431 . . . . 99.99 110.127 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.55 160.26 72.8 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 123.866 0.867 . . . . 99.99 110.491 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.31 84.28 0.27 Allowed 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 122.424 2.083 . . . . 99.99 112.098 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 38.4 m -83.79 82.54 8.28 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.578 0.751 . . . . 99.99 109.484 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 63.4 tp -163.17 132.74 4.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.88 -1.054 . . . . 99.99 108.906 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -138.69 111.17 7.52 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 74.9 mt-30 -86.83 -83.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.522 0.729 . . . . 99.99 110.659 -169.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 77.2 mtm -140.97 -46.03 0.39 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.144 0.978 . . . . 99.99 110.157 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 30.3 m 70.64 -66.92 0.27 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.933 1.693 . . . . 99.99 111.224 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.34 -32.85 74.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.205 1.002 . . . . 99.99 112.247 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' E' ' 330' ' ' GLU . 7.1 tmtm? 78.26 -62.96 0.33 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.538 1.535 . . . . 99.99 110.708 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -64.67 -7.18 9.68 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.794 0.838 . . . . 99.99 112.961 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.15 -28.26 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 125.717 1.607 . . . . 99.99 111.95 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' E' ' 327' ' ' LYS . 12.2 pt-20 -65.22 -40.64 94.37 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.423 0.689 . . . . 99.99 110.601 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.69 -27.95 68.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.36 1.064 . . . . 99.99 109.265 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' E' ' 408' ' ' LEU . 0.8 OUTLIER 46.1 -159.78 0.03 OUTLIER 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.516 1.927 . . . . 99.99 112.241 -177.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 69.4 m -141.57 -159.6 0.98 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.017 0.927 . . . . 99.99 108.667 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 104.83 0.35 Allowed 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.041 0.924 . . . . 99.99 110.292 171.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -166.72 -31.74 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.52 1.128 . . . . 99.99 109.386 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.46 ' O ' ' HA3' ' E' ' 407' ' ' GLY . 3.5 tm-20 78.83 -75.03 0.05 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.452 1.501 . . . . 99.99 108.99 177.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' E' ' 415' ' ' LYS . 2.4 ptmt 79.87 -30.83 0.13 Allowed 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 126.235 1.814 . . . . 99.99 113.677 170.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -60.36 -31.47 74.07 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 123.494 0.568 . . . . 99.99 113.413 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.38 100.57 9.31 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . 0.441 ' HE1' ' HB3' ' B' ' 90' ' ' GLU . 33.7 t80 -95.44 44.93 1.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.245 1.018 . . . . 99.99 109.589 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.5 tp 57.6 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.876 1.271 . . . . 99.99 110.868 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -147.76 129.38 15.05 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.873 -1.158 . . . . 99.99 107.873 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.1 149.94 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.914 0.885 . . . . 99.99 108.848 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.49 143.8 44.45 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.489 0.716 . . . . 99.99 109.675 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -82.54 67.14 3.77 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 111.405 -0.678 . . . . 99.99 111.405 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 61.17 -157.62 0.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.038 1.335 . . . . 99.99 111.447 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 44.2 p -68.43 169.59 10.49 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 123.008 0.523 . . . . 99.99 110.119 167.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' E' ' 392' ' ' HIS . 22.2 pt -58.12 133.4 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 110.167 -0.309 . . . . 99.99 110.167 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.96 148.33 51.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.311 0.644 . . . . 99.99 110.04 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 61.1 tttm 78.66 -9.55 1.49 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.947 1.299 . . . . 99.99 112.171 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . 0.605 ' HB2' HG13 ' E' ' 348' ' ' ILE . 16.4 tt0 -55.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.533 1.133 . . . . 99.99 111.02 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -100.62 128.76 46.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.007 -0.997 . . . . 99.99 108.817 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -97.22 1.3 49.56 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.75 1.22 . . . . 99.99 110.636 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.54 27.59 3.8 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.416 1.487 . . . . 99.99 110.539 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.03 44.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.644 0.778 . . . . 99.99 110.997 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -63.63 -52.46 58.73 Favored Pre-proline 0 CA--C 1.562 1.418 0 CA-C-O 118.588 -0.72 . . . . 99.99 111.093 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.66 -54.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.016 0 CA-C-N 120.917 1.363 . . . . 99.99 112.165 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 51.3 t 63.12 -75.39 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.965 1.706 . . . . 99.99 111.944 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 112.3 -160.07 13.36 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 115.561 -0.745 . . . . 99.99 111.841 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -162.98 152.61 15.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.828 0.851 . . . . 99.99 108.772 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.06 73.51 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 CA-C-O 122.419 1.104 . . . . 99.99 111.626 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -91.13 70.04 2.05 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 114.906 -1.043 . . . . 99.99 111.071 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.3 -56.99 8.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.73 0.812 . . . . 99.99 109.074 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 1.5 p -122.13 103.23 8.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.188 0.995 . . . . 99.99 108.632 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.45 137.12 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.871 0.868 . . . . 99.99 110.095 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.93 174.05 6.55 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.907 0.883 . . . . 99.99 110.816 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.37 -16.09 59.43 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.079 -0.964 . . . . 99.99 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.75 -52.17 50.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.666 1.187 . . . . 99.99 111.501 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -69.45 -36.26 76.43 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.027 -0.988 . . . . 99.99 111.238 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.17 97.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.112 0.565 . . . . 99.99 111.493 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.54 -41.27 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.762 0.425 . . . . 99.99 111.058 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -67.98 -24.5 65.15 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.682 0.393 . . . . 99.99 110.454 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' E' ' 376' ' ' GLU . 36.8 ttm180 -64.27 -26.83 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.829 0.706 . . . . 99.99 111.49 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.51 74.03 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.014 -0.539 . . . . 99.99 110.256 172.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.33 -25.29 27.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.865 0.866 . . . . 99.99 111.875 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . 0.474 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 6.1 pt-20 -71.22 -13.78 62.03 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.154 0.798 . . . . 99.99 113.154 -172.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.47 -31.29 6.14 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.467 0.707 . . . . 99.99 112.247 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.16 93.27 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.592 0.757 . . . . 99.99 111.616 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -65.01 -38.25 90.32 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.679 0.791 . . . . 99.99 110.187 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.474 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 65.1 mttm -69.92 -21.26 63.31 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.523 0.729 . . . . 99.99 111.997 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.41 -30.22 66.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.711 0.804 . . . . 99.99 111.049 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -72.55 -10.07 74.97 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.82 -0.989 . . . . 99.99 114.837 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.76 172.97 0.27 Allowed 'General case' 0 CA--C 1.567 1.612 0 C-N-CA 123.973 0.909 . . . . 99.99 110.414 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 31.9 p -68.21 97.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 109.314 -0.624 . . . . 99.99 109.314 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.87 -41.27 67.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.662 0.785 . . . . 99.99 110.433 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.45 103.92 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 114.917 -1.038 . . . . 99.99 109.026 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.95 108.36 9.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.85 114.84 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 10.7 t -80.39 158.36 26.02 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-N 115.893 -0.594 . . . . 99.99 109.565 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.89 89.6 2.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' E' ' 351' ' ' GLN . 61.5 t0 -94.42 109.9 21.73 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.974 -1.121 . . . . 99.99 107.974 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . 0.605 ' HA ' HD13 ' E' ' 348' ' ' ILE . 0.7 OUTLIER -81.81 158.8 23.95 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.812 0.671 . . . . 99.99 112.812 -171.145 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -101.26 161.75 13.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.721 -1.127 . . . . 99.99 110.45 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -74.63 -37.52 62.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.416 0.686 . . . . 99.99 109.884 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' E' ' 399' ' ' VAL . . . -99.27 123.41 43.53 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.702 0.801 . . . . 99.99 110.018 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 21.0 m -77.47 91.58 3.92 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.01 0.924 . . . . 99.99 112.176 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 53.89 -79.55 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.878 1.671 . . . . 99.99 114.165 167.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 41.5 pt -65.75 -29.94 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.741 0.816 . . . . 99.99 111.974 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.417 HG13 ' HB1' ' E' ' 395' ' ' ALA . 8.9 p -98.92 7.84 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 C-N-CA 123.69 0.796 . . . . 99.99 110.784 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.45 62.42 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-O 118.737 -0.649 . . . . 99.99 112.115 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.24 129.98 8.97 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 121.691 1.594 . . . . 99.99 110.543 166.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -81.6 -45.23 16.12 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.339 0.656 . . . . 99.99 110.472 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m -105.6 142.97 34.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.095 0.958 . . . . 99.99 109.554 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -83.86 159.69 21.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.111 0.564 . . . . 99.99 109.823 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' E' ' 410' ' ' GLN . . . -88.09 112.91 52.43 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-O 119.038 -0.506 . . . . 99.99 109.775 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.55 127.12 9.44 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.362 2.041 . . . . 99.99 111.333 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' E' ' 336' ' ' GLU . . . -64.15 -174.07 3.35 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 120.011 -0.327 . . . . 99.99 113.674 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' E' ' 332' ' ' LEU . 6.1 mp 72.93 -68.87 0.21 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.82 1.248 . . . . 99.99 109.571 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 75.5 p -65.83 -40.15 91.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.082 0.953 . . . . 99.99 110.272 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' E' ' 405' ' ' ALA . 0.0 OUTLIER -84.5 95.81 8.93 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 106.264 -1.754 . . . . 99.99 106.264 161.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . 0.578 ' HB3' ' HG2' ' B' ' 150' ' ' GLU . . . -59.13 -47.2 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.079 0.862 . . . . 99.99 111.507 -172.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.495 ' HB2' ' HD3' ' E' ' 337' ' ' LYS . 82.3 mt 52.89 67.76 0.94 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.883 1.273 . . . . 99.99 111.171 170.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.37 29.34 0.19 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.081 1.352 . . . . 99.99 113.957 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 14.8 t -144.94 10.19 1.33 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.406 0.682 . . . . 99.99 111.165 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . 0.496 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 7.9 mtpm? -100.87 -174.58 2.66 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.197 0.522 . . . . 99.99 111.636 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -50.01 -33.16 17.19 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.616 1.967 . . . . 99.99 112.95 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . 0.457 ' HA3' ' HE3' ' E' ' 337' ' ' LYS . . . -73.34 74.13 1.07 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 112.082 -0.407 . . . . 99.99 112.082 172.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -127.63 167.12 16.84 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.578 1.151 . . . . 99.99 109.843 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.39 166.92 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.445 0.698 . . . . 99.99 109.388 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 420' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' E' ' 420' ' ' MET . 4.7 tpt 72.61 15.53 4.95 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.291 1.436 . . . . 99.99 110.884 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 59.5 t 65.71 -79.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 125.555 1.542 . . . . 99.99 110.941 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -144.34 8.91 1.4 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.414 0.686 . . . . 99.99 110.665 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 38.8 m 56.52 61.36 2.71 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.968 1.307 . . . . 99.99 110.683 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 71.0 t80 67.08 -73.64 0.08 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.061 1.344 . . . . 99.99 111.265 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 77.66 -116.45 4.5 Favored Glycine 0 C--N 1.341 0.815 0 N-CA-C 111.419 -0.672 . . . . 99.99 111.419 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -157.79 131.61 7.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.325 0.65 . . . . 99.99 109.554 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 22.7 t -105.29 -152.25 0.46 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.413 1.085 . . . . 99.99 108.543 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -82.97 39.59 0.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.407 1.083 . . . . 99.99 111.436 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.05 -55.53 4.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.814 1.245 . . . . 99.99 109.863 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.4 1.63 15.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 113.505 -1.68 . . . . 99.99 112.513 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 21.2 m -54.4 -33.52 59.47 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.783 0.833 . . . . 99.99 112.196 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.26 -29.9 63.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.653 0.781 . . . . 99.99 110.891 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -73.87 -14.05 61.01 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.251 0.62 . . . . 99.99 111.361 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -86.15 45.47 1.23 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 99.99 110.474 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.0 m 65.46 21.57 11.84 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.987 1.315 . . . . 99.99 110.529 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -85.27 132.11 10.88 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.353 -0.693 . . . . 99.99 112.923 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 35.9 t 79.84 -38.87 0.18 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.009 1.724 . . . . 99.99 112.839 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.59 144.14 56.6 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.521 0.728 . . . . 99.99 112.085 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.21 78.18 5.69 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.902 -1.147 . . . . 99.99 107.902 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.87 -41.15 45.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.581 -0.736 . . . . 99.99 109.918 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.83 144.23 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-N 115.294 -0.866 . . . . 99.99 110.222 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -137.92 67.28 1.42 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 107.73 -1.211 . . . . 99.99 107.73 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 64.91 -75.28 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.296 1.438 . . . . 99.99 110.607 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -171.38 -36.3 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.448 1.499 . . . . 99.99 108.803 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 153.02 179.25 28.39 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 115.13 -0.941 . . . . 99.99 111.461 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.95 128.38 17.65 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.444 2.096 . . . . 99.99 110.782 173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -81.19 -10.38 59.63 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.091 0.556 . . . . 99.99 109.803 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.44 167.0 0.28 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.69 1.596 . . . . 99.99 111.365 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.99 -171.06 3.39 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.277 0.631 . . . . 99.99 111.515 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . 0.479 ' HB3' ' HE1' ' A' ' 56' ' ' TYR . 25.8 t-20 -146.78 -64.82 0.29 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.391 0.676 . . . . 99.99 109.368 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.66 -36.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.342 0.657 . . . . 99.99 109.804 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 98' ' ' LEU . 27.3 m -117.96 -174.99 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.976 0.91 . . . . 99.99 110.098 173.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -101.13 -53.65 1.0 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.197 -1.161 . . . . 99.99 110.197 167.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.432 HD22 HG21 ' A' ' 46' ' ' THR . 19.2 tp 64.01 12.81 7.21 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.622 1.569 . . . . 99.99 112.352 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 33.4 p -84.76 84.19 7.77 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.372 0.605 . . . . 99.99 110.465 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -139.24 135.33 33.79 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.558 -0.904 . . . . 99.99 108.558 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.82 -29.12 70.48 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.377 1.071 . . . . 99.99 111.417 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 13.3 m -89.97 112.07 23.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.122 -0.696 . . . . 99.99 109.122 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.07 108.22 11.2 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 85.3 mt 67.54 -161.3 0.22 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.612 1.165 . . . . 99.99 110.174 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -133.51 30.26 3.83 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.447 0.699 . . . . 99.99 109.757 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -126.72 106.63 9.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.854 0.862 . . . . 99.99 109.12 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 45.7 m -79.53 86.06 5.23 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 20.7 ttt -69.82 134.32 48.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.688 -171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' E' ' 141' ' ' ALA . 2.9 tmtp? -84.87 135.85 33.9 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . 0.401 ' N ' ' HD3' ' E' ' 465' ' ' LYS . . . -92.47 -149.08 0.24 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.86 1.264 . . . . 99.99 111.601 -175.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . 0.653 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . . . 76.61 48.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.445 1.498 . . . . 99.99 110.311 -174.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.527 HD23 HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -121.15 -3.24 9.54 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.057 -0.974 . . . . 99.99 113.372 -171.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . 0.441 ' H ' HG13 ' A' ' 40' ' ' VAL . . . -165.75 98.14 0.15 Allowed Glycine 0 C--N 1.348 1.213 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.4 176.1 5.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.902 0.881 . . . . 99.99 111.063 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.407 ' HZ1' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.569 0.748 . . . . 99.99 110.611 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -110.42 -27.93 8.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.207 0.603 . . . . 99.99 109.996 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.63 102.12 4.47 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 108.714 -0.847 . . . . 99.99 108.714 169.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.43 9.82 10.24 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.657 0.783 . . . . 99.99 112.294 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 77.61 -34.17 0.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.667 1.587 . . . . 99.99 113.159 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t30 69.68 102.06 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.289 1.036 . . . . 99.99 110.707 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -100.07 157.91 16.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.601 0.76 . . . . 99.99 112.237 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 62.5 -167.79 0.2 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.741 1.216 . . . . 99.99 112.034 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.68 43.83 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 109.079 -0.712 . . . . 99.99 109.079 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.07 144.0 0.23 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.185 1.394 . . . . 99.99 108.203 -172.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 12.2 t80 -95.63 127.33 41.57 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 167.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -149.87 111.72 4.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.265 1.026 . . . . 99.99 108.664 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.522 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HB3' HG21 ' A' ' 83' ' ' ILE . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 99.99 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 34.4 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' B' ' 122' ' ' THR . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 17.02 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 50.99 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.617 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 18.45 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 13.15 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 6.92 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 22.19 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 43.73 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.4 m-20 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 63.88 112.378 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 73.6 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.663 HD13 ' SD ' ' E' ' 464' ' ' MET . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 50.91 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 67.81 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 99.99 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 81.17 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.23 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG13 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 75.11 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.492 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 32.98 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 27.21 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 28.74 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 35.81 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.422 HG22 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 19.33 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.57 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 29.68 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 25.47 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 80.58 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 99.99 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.652 ' HB3' ' HA2' ' E' ' 338' ' ' GLY . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 40.21 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 30.66 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 59.79 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 30.86 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.403 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 20.96 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 21.28 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 14' ' ' GLN . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 80.87 108.25 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.671 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -77.25 99.97 5.67 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 pt -138.12 116.13 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.242 1.017 . . . . 99.99 109.873 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.55 174.26 1.24 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.445 1.098 . . . . 99.99 109.32 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.17 6.06 88.94 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.318 -0.401 . . . . 99.99 112.53 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.61 142.3 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.723 1.609 . . . . 99.99 107.914 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -131.15 176.65 8.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.583 0.753 . . . . 99.99 111.21 -169.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.23 -149.06 51.66 Favored Glycine 0 C--N 1.356 1.694 0 CA-C-N 115.133 -0.939 . . . . 99.99 113.819 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 t -58.96 -27.23 65.16 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.138 0.975 . . . . 99.99 111.82 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.79 -53.3 59.51 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.742 0.817 . . . . 99.99 111.308 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.602 ' SD ' HG23 ' E' ' 451' ' ' VAL . 15.5 ptm -81.22 -37.27 28.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.698 -0.228 . . . . 99.99 110.422 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.34 83.35 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.116 0.885 . . . . 99.99 112.117 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -75.5 -41.69 54.73 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.72 0.637 . . . . 99.99 110.34 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 50.9 t -54.66 -37.08 65.28 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.695 0.622 . . . . 99.99 111.873 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 94' ' ' MET . 3.4 pp -100.93 -33.55 10.15 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 99.99 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 99.99 114.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 79.06 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.6 ' HD3' HG13 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 59.39 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 132' ' ' ASN . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 99.99 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 83.34 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 42.55 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 17.98 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 13.2 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.442 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 36.0 111.18 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 15.85 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.52 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 19.0 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.528 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 5.43 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.422 HG21 HG22 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 18.83 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 22.63 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 6.65 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 88.83 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 51.92 109.936 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 39.96 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.653 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 11.33 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 32.89 110.454 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 19.39 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 30.18 113.031 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 90.79 107.623 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 93.81 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 77.99 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.553 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 85.02 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.428 HG12 ' HA3' ' E' ' 140' ' ' GLY . 14.3 m -117.85 112.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.426 ' HA ' ' OD1' ' A' ' 104' ' ' ASN . 31.4 t-20 -104.09 81.18 1.81 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.301 -1.0 . . . . 99.99 108.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.94 -27.09 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.201 -1.363 . . . . 99.99 112.482 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.39 -49.68 7.07 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.324 0.49 . . . . 99.99 112.324 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 138' ' ' MET . . . -68.3 -23.8 64.78 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.386 0.884 . . . . 99.99 113.386 -164.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -72.43 -30.73 64.88 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.03 0.832 . . . . 99.99 109.808 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.55 -38.46 62.72 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.96 -0.564 . . . . 99.99 110.323 170.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.478 ' HB2' ' HA ' ' A' ' 135' ' ' ALA . 73.1 mtp -67.63 -19.61 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.741 0.416 . . . . 99.99 111.632 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.528 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 79.4 m-20 -59.24 -42.95 92.31 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.568 0.542 . . . . 99.99 110.511 170.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.82 -35.18 79.47 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.6 -0.727 . . . . 99.99 110.875 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.26 -52.26 55.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.398 0.279 . . . . 99.99 111.149 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -176.6 -8.54 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.559 0.948 . . . . 99.99 113.559 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.528 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 26.7 mt-30 -72.85 82.63 1.19 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.719 0.771 . . . . 99.99 109.952 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -156.39 11.33 0.26 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.403 -1.271 . . . . 99.99 109.912 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.04 89.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.615 1.166 . . . . 99.99 111.979 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.65 127.7 2.94 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -141.15 143.48 34.28 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.613 0.765 . . . . 99.99 109.304 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.26 -115.19 0.65 Allowed Glycine 0 C--N 1.339 0.742 0 N-CA-C 110.959 -0.856 . . . . 99.99 110.959 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 57.1 p 48.14 -85.02 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.435 1.494 . . . . 99.99 112.295 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.625 ' HG3' ' H ' ' A' ' 151' ' ' GLU . 14.1 pt-20 34.93 -91.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 126.237 1.815 . . . . 99.99 114.316 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.625 ' H ' ' HG3' ' A' ' 150' ' ' GLU . 40.2 tt0 -118.45 -17.02 9.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.824 1.25 . . . . 99.99 109.5 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 72.74 -75.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.897 1.679 . . . . 99.99 110.465 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 60.72 96.13 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.843 1.257 . . . . 99.99 112.135 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.4 t70 70.0 -76.85 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.204 1.401 . . . . 99.99 113.549 168.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.386 0 C-N-CA 125.9 1.68 . . . . 99.99 114.108 -165.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.653 -0.213 . . . . 99.99 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -75.7 -82.84 0.07 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.246 -0.65 . . . . 99.99 109.246 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 169.16 106.35 0.01 OUTLIER 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.951 1.7 . . . . 99.99 106.51 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -102.46 168.69 9.15 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.28 0.632 . . . . 99.99 109.476 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 62.74 -87.16 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.798 1.239 . . . . 99.99 109.998 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 65.2 t30 50.71 33.04 7.67 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.004 1.322 . . . . 99.99 112.847 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.9 p 49.14 71.84 0.35 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.945 1.298 . . . . 99.99 111.574 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 70.28 96.83 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.22 1.408 . . . . 99.99 110.376 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.434 ' HB3' HG21 ' B' ' 89' ' ' ILE . 22.4 ptm 57.98 -177.18 0.07 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 126.482 1.913 . . . . 99.99 114.393 173.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -133.36 138.5 46.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.33 1.052 . . . . 99.99 108.57 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -139.39 134.21 32.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.021 0.928 . . . . 99.99 109.765 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 61.13 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 99.99 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.583 ' HG3' ' HB3' ' E' ' 128' ' ' ALA . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 99.99 110.439 -176.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 22.84 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 25.35 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.459 HG23 HD13 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 18.25 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 41.37 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.678 HD13 ' SG ' ' B' ' 113' ' ' CYS . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 15.07 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.458 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 29.37 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 11.41 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.506 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 27.88 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 51.27 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.603 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.603 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 99.99 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' HD21 ' B' ' 68' ' ' LEU . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.429 ' HB ' ' OE1' ' E' ' 3' ' ' GLN . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 99.89 108.935 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.575 ' HG ' ' NE2' ' E' ' 3' ' ' GLN . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.484 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' E' ' 11' ' ' LEU . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 99.99 109.4 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 89.58 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 50.34 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 99.99 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 44.59 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 98.19 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 93.17 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.428 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 98.7 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 99.99 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.578 ' HB2' HD12 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.484 HG12 ' HE1' ' E' ' 15' ' ' PHE . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 85.08 107.992 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 32.75 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 89.85 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.81 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 99.99 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 30.69 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.439 HG21 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 50.25 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.559 HG22 HD12 ' B' ' 114' ' ' ILE . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 27.1 109.699 -168.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 27.69 107.296 167.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 28.91 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.428 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 82.69 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' B' ' 38' ' ' PRO . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 84.99 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 91.81 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.454 ' HB3' ' NZ ' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 39.53 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 37.29 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 21.12 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 29.86 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 13.61 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.458 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 13.23 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.81 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 36.68 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.529 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 12.8 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 51.05 106.917 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 99.99 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 99.23 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 99.99 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' B' ' 9' ' ' MET . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.71 ' SD ' HG23 ' E' ' 18' ' ' VAL . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.604 ' HA ' ' HB3' ' B' ' 137' ' ' PHE . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 99.37 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 67.76 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 81.59 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 55.65 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 48.03 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 99.99 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 59.06 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 27.15 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 18.14 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 25.24 111.347 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 18.19 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 76.84 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.678 ' SG ' HD13 ' B' ' 21' ' ' ILE . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 28.75 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.559 HD12 HG22 ' B' ' 64' ' ' VAL . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 30.1 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 17.12 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.81 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 50.71 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 23.64 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 49.99 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.528 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 17' ' ' TYR . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 33.79 112.86 174.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 28.26 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 39.05 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.478 ' HB3' HG22 ' E' ' 6' ' ' ILE . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 99.99 109.613 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 99.99 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 99.99 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 64.44 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 75.43 112.874 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' E' ' 8' ' ' LEU . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.99 110.882 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -109.02 82.87 1.66 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -88.02 -5.61 58.41 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.062 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.76 -57.95 9.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.518 1.127 . . . . 99.99 112.776 -170.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -76.04 -33.35 59.62 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.42 0.688 . . . . 99.99 111.633 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.0 -55.83 30.15 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.108 0.963 . . . . 99.99 109.639 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.604 ' HB3' ' HA ' ' B' ' 96' ' ' HIS . 79.1 m-85 -78.69 -14.86 59.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.719 0.808 . . . . 99.99 112.364 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 44.0 ttm -67.09 -35.66 80.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.658 0.383 . . . . 99.99 110.022 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -76.71 -6.93 54.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.162 0.585 . . . . 99.99 112.341 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.75 -47.79 61.73 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.907 0.483 . . . . 99.99 110.781 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -94.18 -7.88 40.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.367 0.267 . . . . 99.99 110.954 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 55.37 -82.47 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.039 1.735 . . . . 99.99 111.362 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.82 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.31 1.444 . . . . 99.99 113.46 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.15 -29.11 17.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.853 0.861 . . . . 99.99 110.991 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.66 -78.33 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 O-C-N 123.846 0.716 . . . . 99.99 110.543 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.57 -57.23 4.17 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.096 0.248 . . . . 99.99 113.542 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' E' ' 212' ' ' SER . 39.2 tt0 -134.86 88.84 2.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.449 1.1 . . . . 99.99 108.719 -176.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.14 59.0 0.01 OUTLIER Glycine 0 C--O 1.24 0.522 0 N-CA-C 110.202 -1.159 . . . . 99.99 110.202 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 49.6 m -75.55 -76.68 0.14 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 122.863 0.465 . . . . 99.99 110.471 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 50.5 -91.28 0.02 OUTLIER 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.029 1.331 . . . . 99.99 111.866 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 173.25 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.91 1.684 . . . . 99.99 106.573 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 18.9 t60 173.17 -55.34 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.039 1.736 . . . . 99.99 107.19 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -71.42 -45.82 61.71 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.919 -1.037 . . . . 99.99 110.172 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.4 153.29 43.79 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.089 -0.96 . . . . 99.99 111.814 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.416 0 C-N-CA 124.299 1.04 . . . . 99.99 109.918 -176.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmt . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 109.676 -0.49 . . . . 99.99 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 66.81 1.25 2.17 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.757 1.223 . . . . 99.99 112.402 -170.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.85 -54.63 5.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.374 1.07 . . . . 99.99 109.263 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . 0.535 HE22 ' HB2' ' E' ' 147' ' ' HIS . 6.5 tp-100 -157.56 159.03 36.71 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.392 -1.276 . . . . 99.99 109.673 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 68.79 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.338 1.455 . . . . 99.99 110.953 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 63.29 -71.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.189 1.396 . . . . 99.99 110.51 -173.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.482 ' HA ' ' CE1' ' C' ' 152' ' ' HIS . 15.2 t -80.03 28.08 0.3 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.092 1.357 . . . . 99.99 112.075 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 55.01 -154.23 0.3 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 124.356 1.062 . . . . 99.99 109.792 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 59.9 mtt 65.71 162.03 0.14 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.991 1.108 . . . . 99.99 113.991 163.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -128.7 113.65 15.63 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.14 -0.936 . . . . 99.99 108.835 167.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.401 ' H ' ' HB ' ' E' ' 146' ' ' ILE . 30.7 t80 -126.22 119.76 28.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.666 HG13 ' HH ' ' E' ' 138' ' ' TYR . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 82.71 108.214 164.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 99.99 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 17.72 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.429 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 9.52 109.788 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 51.3 108.739 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.482 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 13.13 106.549 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 15.89 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 10.19 107.208 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 26.52 109.297 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 43.6 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.465 ' O ' HG21 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . 0.538 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 57.64 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.562 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 78.76 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 99.99 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 72.29 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' E' ' 296' ' ' THR . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 99.99 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 99.99 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 99.99 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.754 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 90.89 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 55.92 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 78.18 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 57.25 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' C' ' 57' ' ' GLU . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 99.99 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.631 HG23 ' HD3' ' E' ' 152' ' ' PRO . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 97.58 109.63 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.434 HG12 ' SG ' ' C' ' 102' ' ' CYS . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 43.88 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 30.1 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 99.67 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 31.81 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.79 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 29.1 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.471 HG21 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 36.6 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 38.08 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 65.72 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 99.99 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 83.21 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 40.89 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 38.89 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.524 ' HD1' ' HH ' ' E' ' 297' ' ' TYR . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 66.65 110.906 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 32.91 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 14.84 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 26.52 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.405 ' HB3' HD22 ' C' ' 106' ' ' LEU . 6.6 tp-100 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 12.17 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.52 HD13 HD12 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 39.17 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -138.17 138.35 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.616 ' HA ' HD21 ' E' ' 277' ' ' LEU . . . -155.61 -32.66 0.09 Allowed 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 113.91 1.078 . . . . 99.99 113.91 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.87 -48.16 22.4 Favored Glycine 0 N--CA 1.471 1.002 0 N-CA-C 114.524 0.57 . . . . 99.99 114.524 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' C' ' 94' ' ' MET . 2.3 pp -57.43 153.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.527 0.731 . . . . 99.99 112.668 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -161.09 158.66 28.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.162 0.585 . . . . 99.99 111.708 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' C' ' 94' ' ' MET . . . 74.74 -119.68 6.12 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.781 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 79.4 p -78.84 -25.73 44.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.076 0.55 . . . . 99.99 111.065 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.17 -53.27 60.14 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.144 0.902 . . . . 99.99 109.397 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.581 ' HE2' ' HA ' ' E' ' 278' ' ' LEU . 4.8 ptm -68.64 -33.55 74.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.438 -1.255 . . . . 99.99 110.762 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.87 78.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.719 0.808 . . . . 99.99 111.694 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.87 -29.09 25.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.594 0.758 . . . . 99.99 110.897 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m -68.87 -41.29 78.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.933 0.493 . . . . 99.99 111.205 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' E' ' 281' ' ' PHE . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 81.7 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.638 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 68.22 111.503 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' HG12 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 85.73 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 52.77 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.553 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 18.22 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 62.78 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 20.21 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 17.97 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 10.09 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 18.56 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 31.03 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.511 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 26.09 111.697 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.501 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 21.24 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 14.3 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 10.17 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.616 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 12.08 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.416 HG22 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 54.79 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 23.93 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.558 HG21 ' HB3' ' D' ' 17' ' ' TYR . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 27.3 111.762 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 36.76 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 44.0 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' E' ' 296' ' ' THR . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 92.07 107.228 172.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 43.42 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 64.09 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 45.54 112.946 -170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.442 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 40.22 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 98.11 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.72 -41.97 97.98 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.638 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 36.2 t70 -61.39 -44.55 96.96 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 114.839 -1.073 . . . . 99.99 111.862 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.97 -22.85 66.0 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.28 -59.56 2.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.604 0.762 . . . . 99.99 109.105 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.6 ' HB2' ' HB3' ' C' ' 100' ' ' ALA . 62.4 m-85 -73.47 -14.09 61.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.755 0.822 . . . . 99.99 112.472 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -62.51 -42.6 99.61 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 99.99 110.544 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.25 -36.41 70.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.916 0.76 . . . . 99.99 110.95 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.66 -146.09 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 124.031 0.932 . . . . 99.99 110.14 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp 68.28 177.87 0.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.405 1.082 . . . . 99.99 110.916 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 72.13 109.41 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.133 1.373 . . . . 99.99 111.266 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -111.19 -61.79 1.64 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.91 0.862 . . . . 99.99 109.459 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -64.21 -18.02 64.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.906 1.682 . . . . 99.99 113.065 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.48 -67.64 0.26 Allowed 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.682 1.593 . . . . 99.99 110.639 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.2 -87.06 0.5 Allowed Glycine 0 C--N 1.344 0.988 0 N-CA-C 110.763 -0.935 . . . . 99.99 110.763 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 63.76 11.11 5.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.176 1.39 . . . . 99.99 111.805 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 58.92 -107.63 1.26 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.6 m 73.4 -41.74 0.5 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.091 1.756 . . . . 99.99 113.614 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -51.29 -43.52 61.64 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.288 1.435 . . . . 99.99 112.97 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.36 -37.41 86.93 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.038 0.836 . . . . 99.99 111.403 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' C' ' 7' ' ' THR . 68.1 m80 55.76 21.61 4.85 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.084 0.953 . . . . 99.99 112.55 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 69.05 -58.32 0.5 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.834 1.653 . . . . 99.99 111.868 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 65.24 80.2 0.23 Allowed 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.657 1.583 . . . . 99.99 111.976 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 N-CA-C 108.316 -0.994 . . . . 99.99 108.316 170.584 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.427 0.156 . . . . 99.99 110.673 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.22 158.45 34.07 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.213 0.605 . . . . 99.99 110.177 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.63 -47.52 11.17 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -81.12 163.04 23.42 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.648 -0.706 . . . . 99.99 109.432 173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -63.7 -37.49 87.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.753 0.421 . . . . 99.99 110.603 170.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.3 -159.55 0.74 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.271 1.029 . . . . 99.99 109.2 174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -121.67 -72.38 0.69 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.154 0.581 . . . . 99.99 111.195 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 66.88 152.99 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 125.016 1.326 . . . . 99.99 112.306 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.434 ' SD ' HG13 ' D' ' 89' ' ' ILE . 13.4 tpt -36.93 122.53 0.83 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.607 -0.724 . . . . 99.99 112.077 166.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p -116.7 118.76 33.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 79.57 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.577 HG22 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . 0.405 ' HA ' HG22 ' E' ' 306' ' ' VAL . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 99.99 111.985 -170.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.577 HG23 HG22 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 81.0 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.558 ' HB3' HG21 ' C' ' 122' ' ' THR . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 28.79 112.372 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 14.92 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 58.5 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.616 HG21 ' HE1' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 14.63 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 15.53 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 6.05 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 14.28 108.681 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 16.78 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 22.87 114.762 -166.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 21.13 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 30.2 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 64.18 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 34.41 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 54.02 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 34.31 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.483 HG11 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 83.42 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.543 HD11 HD21 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 99.99 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' E' ' 111' ' ' LEU . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 97.22 111.058 -173.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 99.99 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 62.54 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 55.71 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 61.91 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.99 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 93.38 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 99.99 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . 0.534 ' HA ' HG23 ' E' ' 97' ' ' ILE . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 99.99 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.594 HG13 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 71.26 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.442 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 36.06 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 79.92 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 22.5 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 23.18 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.483 HG13 HG11 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 24.43 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 32.61 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 25.12 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.442 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 49.15 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 32.34 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 33.15 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 19.1 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 12.32 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 8.66 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 19.44 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 10.02 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 29.4 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.3 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 65.32 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.44 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 99.99 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.465 ' HB ' HD13 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 99.99 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . 0.461 ' HA3' ' HE2' ' D' ' 152' ' ' HIS . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.496 ' HB2' HD11 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 99.99 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 99.99 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.424 HD21 HD13 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 70.12 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 64.46 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 46.86 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 45.41 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.594 ' HG3' HG13 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 38.42 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 87.71 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.44 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 35.35 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 21.86 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 12.38 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 8.42 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 15.0 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 17.35 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 12.17 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.56 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.553 HG22 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 19.17 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 19.58 111.301 -173.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 14.23 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.499 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 6.04 111.958 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 19.19 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 16.36 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 7.12 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 35.79 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 27.88 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . 0.515 ' HB3' ' HB1' ' E' ' 128' ' ' ALA . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 17.97 110.964 -176.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 33.77 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 99.99 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.543 HD21 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 35.86 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 48.78 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 48.18 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 95.86 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.17 -53.17 17.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.91 63.7 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.273 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.94 -48.99 10.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.98 0.512 . . . . 99.99 110.604 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.472 ' HD2' ' HB2' ' E' ' 109' ' ' TYR . 22.2 m-85 -84.85 -43.16 14.4 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 -171.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.406 ' HA ' ' HB2' ' D' ' 141' ' ' LEU . 58.9 mtm -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 112.89 0.7 . . . . 99.99 112.89 -172.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -69.6 -24.3 63.65 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.526 0.516 . . . . 99.99 110.529 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -89.07 -47.32 8.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.073 0.549 . . . . 99.99 110.293 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' D' ' 138' ' ' MET . 87.5 mt -49.46 -26.86 3.65 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 125.139 1.375 . . . . 99.99 113.683 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -73.41 45.4 0.17 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 124.499 1.119 . . . . 99.99 112.262 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.36 95.02 4.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.44 1.096 . . . . 99.99 108.692 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -142.26 -45.52 0.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.445 -0.798 . . . . 99.99 109.776 -173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.61 -83.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.111 1.364 . . . . 99.99 112.266 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . 0.454 ' HA2' ' HG2' ' D' ' 150' ' ' GLU . . . -177.7 -135.46 2.25 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 112.218 -0.353 . . . . 99.99 112.218 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 69.06 -87.3 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.216 1.406 . . . . 99.99 111.323 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -125.76 -10.08 4.55 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 112.061 -0.415 . . . . 99.99 112.061 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.9 m -78.59 -12.85 60.04 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.606 0.762 . . . . 99.99 110.975 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . 0.454 ' HG2' ' HA2' ' D' ' 146' ' ' GLY . 22.1 mm-40 -75.04 -3.15 30.83 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.6 0.76 . . . . 99.99 111.911 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.98 -56.06 26.36 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.272 0.629 . . . . 99.99 109.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . 0.461 ' HE2' ' HA3' ' D' ' 91' ' ' GLY . 16.3 t-160 57.7 41.22 25.64 Favored 'General case' 0 CA--C 1.561 1.393 0 O-C-N 124.302 1.001 . . . . 99.99 110.676 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.12 -61.82 2.21 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.069 0.948 . . . . 99.99 110.654 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -130.87 -6.36 4.0 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.616 1.166 . . . . 99.99 109.396 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 124.459 1.104 . . . . 99.99 108.466 -178.702 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.39 139.15 51.83 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.141 -1.059 . . . . 99.99 108.141 166.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.575 ' NE2' ' HG ' ' B' ' 42' ' ' LEU . 25.1 tt0 -66.57 -43.13 85.85 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.384 0.428 . . . . 99.99 110.406 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 25.2 m 69.05 -82.7 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 O-C-N 124.844 1.34 . . . . 99.99 110.823 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -86.57 131.06 34.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.253 0.549 . . . . 99.99 110.611 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' B' ' 126' ' ' LEU . 6.4 tt -64.49 153.35 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 C-N-CA 125.408 1.483 . . . . 99.99 111.242 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -165.41 -147.24 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 124.794 1.238 . . . . 99.99 109.526 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.464 ' HB2' HG23 ' B' ' 131' ' ' VAL . 22.4 mt -127.61 158.66 36.92 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 123.998 0.919 . . . . 99.99 111.576 173.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.87 166.7 10.29 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.209 1.004 . . . . 99.99 109.808 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.76 148.45 34.26 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.801 0.841 . . . . 99.99 112.194 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' B' ' 44' ' ' LEU . 3.0 mm? -62.77 143.73 96.76 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.327 1.051 . . . . 99.99 109.932 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.05 42.5 1.33 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.261 2.641 . . . . 99.99 112.133 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 55.57 79.6 0.16 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.319 1.448 . . . . 99.99 111.079 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp 66.65 178.57 0.22 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.659 1.184 . . . . 99.99 110.578 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.484 ' HE1' HG12 ' B' ' 58' ' ' VAL . 3.1 p90 -156.3 27.0 0.35 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.787 0.662 . . . . 99.99 112.787 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.675 ' HA ' ' HB2' ' E' ' 21' ' ' ALA . 6.6 m 52.53 67.24 4.1 Favored Pre-proline 0 CA--C 1.565 1.519 0 C-N-CA 124.892 1.277 . . . . 99.99 112.448 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -94.87 -72.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.279 2.653 . . . . 99.99 113.473 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.71 HG23 ' SD ' ' B' ' 94' ' ' MET . 2.8 m -102.66 108.15 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 N-CA-C 108.997 -0.742 . . . . 99.99 108.997 -175.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m 61.01 -80.68 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 125.093 1.357 . . . . 99.99 113.345 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -121.95 136.02 54.9 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.525 1.13 . . . . 99.99 110.733 -170.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.675 ' HB2' ' HA ' ' E' ' 16' ' ' THR . . . -170.47 -6.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.209 1.004 . . . . 99.99 110.859 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -113.41 129.12 56.62 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.623 0.769 . . . . 99.99 110.326 -172.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 37.8 p -95.01 158.67 34.55 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.791 1.236 . . . . 99.99 109.781 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -48.2 169.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.524 2.816 . . . . 99.99 114.477 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.97 27.69 0.18 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.233 1.013 . . . . 99.99 112.906 -174.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 64.1 mtt 60.96 82.85 0.22 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.959 1.304 . . . . 99.99 111.946 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.37 79.4 3.32 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.924 2.416 . . . . 99.99 109.988 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 5.5 m 52.54 14.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 C-N-CA 126.802 2.041 . . . . 99.99 113.574 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.26 114.69 26.5 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 76.18 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.561 1.544 . . . . 99.99 112.177 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 13.6 m120 66.99 20.05 10.5 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.371 1.068 . . . . 99.99 112.153 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.63 58.77 3.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.541 1.136 . . . . 99.99 109.336 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.92 -161.51 0.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.208 -0.906 . . . . 99.99 111.21 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . 0.611 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . . . 76.95 86.03 0.08 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 125.16 1.384 . . . . 99.99 110.234 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.1 -43.97 77.27 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.999 0.92 . . . . 99.99 111.035 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.81 43.3 0.02 OUTLIER Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.629 -0.714 . . . . 99.99 111.523 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . 0.503 ' HB3' ' HB2' ' E' ' 206' ' ' GLU . 3.4 m-20 -64.11 95.45 0.12 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.904 0.882 . . . . 99.99 109.377 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 pt -75.87 -0.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.795 0.838 . . . . 99.99 113.016 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m 67.11 91.12 0.09 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.852 1.261 . . . . 99.99 109.578 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' E' ' 205' ' ' LEU . . . -55.1 127.86 64.31 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.144 0.978 . . . . 99.99 111.336 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -47.05 -30.48 10.13 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 124.596 3.53 . . . . 99.99 116.345 -168.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.17 -60.75 4.45 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.634 -0.586 . . . . 99.99 111.634 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -129.8 0.62 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.21 -0.756 . . . . 99.99 111.21 168.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -168.04 35.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.096 0.559 . . . . 99.99 110.465 -178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.35 148.89 0.09 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.744 1.218 . . . . 99.99 110.205 -171.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . 0.594 ' HG2' ' H ' ' E' ' 47' ' ' LEU . 21.5 ttt180 66.34 -170.67 0.19 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.276 1.03 . . . . 99.99 110.139 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . 0.594 ' H ' ' HG2' ' E' ' 46' ' ' ARG . 2.5 tm? 72.09 -76.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.185 1.394 . . . . 99.99 109.63 175.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 21.1 p -71.63 -32.85 68.4 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.915 0.886 . . . . 99.99 109.863 170.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' NZ ' ' E' ' 62' ' ' LYS . . . -108.23 65.89 0.24 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.325 -0.852 . . . . 99.99 111.58 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . 0.424 ' HB2' ' H ' ' E' ' 47' ' ' LEU . 24.3 t0 -147.19 143.68 28.38 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.253 0.549 . . . . 99.99 111.891 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.08 -45.25 8.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.354 1.062 . . . . 99.99 110.867 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 69.0 p -67.54 -16.07 64.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.464 0.706 . . . . 99.99 112.483 -171.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.02 72.6 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.074 0.95 . . . . 99.99 110.698 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.25 -74.7 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.692 0.797 . . . . 99.99 109.964 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 tp -166.05 136.43 3.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.172 0.589 . . . . 99.99 110.3 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' E' ' 79' ' ' GLU . 9.3 ptp180 50.63 33.95 8.95 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.754 1.622 . . . . 99.99 114.739 168.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 66.13 77.39 0.29 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.201 1.001 . . . . 99.99 109.783 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -80.5 66.81 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.697 0.799 . . . . 99.99 112.08 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 tt -179.52 -66.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.246 -1.761 . . . . 99.99 106.246 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 47.6 m -117.05 85.24 2.29 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.426 -1.261 . . . . 99.99 108.581 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' E' ' 81' ' ' THR . 9.9 p-10 -71.03 146.51 49.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.829 0.852 . . . . 99.99 110.372 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.451 ' NZ ' ' HA2' ' E' ' 49' ' ' GLY . 49.6 mttp -125.78 98.63 33.65 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 123.277 0.631 . . . . 99.99 109.828 -173.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.12 172.19 7.81 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.155 2.57 . . . . 99.99 113.509 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.72 16.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.471 -0.786 . . . . 99.99 112.331 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' B' ' 131' ' ' VAL . 14.2 tmtt? -104.72 0.42 28.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.328 1.051 . . . . 99.99 110.748 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -68.0 138.36 55.82 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.415 0.686 . . . . 99.99 111.286 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.74 93.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-O 121.949 0.881 . . . . 99.99 109.178 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.34 94.86 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.96 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.96 118.68 37.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.886 -1.052 . . . . 99.99 109.245 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -83.19 73.99 10.05 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.58 6.94 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.954 0.902 . . . . 99.99 112.441 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.33 -47.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.297 0.373 . . . . 99.99 112.684 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.83 149.34 48.7 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.866 0.866 . . . . 99.99 109.659 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.39 79.38 1.92 Allowed Glycine 0 C--N 1.344 1.009 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.95 127.54 35.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.2 100.53 0.13 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.991 -0.844 . . . . 99.99 110.991 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.64 161.95 38.65 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.565 0.746 . . . . 99.99 109.817 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -65.43 -16.08 63.27 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.389 1.076 . . . . 99.99 112.892 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.423 ' HA ' ' NH1' ' E' ' 56' ' ' ARG . 10.3 tp10 -59.96 -20.51 57.93 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.31 1.044 . . . . 99.99 111.656 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -62.81 -16.4 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.171 0.988 . . . . 99.99 111.858 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.457 HG23 ' HB2' ' E' ' 61' ' ' ASP . 73.1 p -72.86 81.42 1.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.643 0.735 . . . . 99.99 109.99 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.93 4.1 10.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.528 1.131 . . . . 99.99 110.418 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' E' ' 62' ' ' LYS . . . -98.1 128.11 44.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.442 0.697 . . . . 99.99 109.337 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.17 -172.28 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.888 -0.782 . . . . 99.99 108.888 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.32 121.01 16.85 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.577 0.703 . . . . 99.99 111.058 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -80.84 84.77 6.28 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.09 132.04 27.65 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.706 0.803 . . . . 99.99 112.015 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.87 89.45 0.12 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.459 1.104 . . . . 99.99 111.983 -161.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . 0.421 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . 78.14 2.03 81.85 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.27 -0.877 . . . . 99.99 114.193 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.54 83.77 5.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.339 0.656 . . . . 99.99 110.342 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.61 128.81 48.54 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 118.779 -1.012 . . . . 99.99 111.751 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.03 68.64 1.33 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 115.265 0.866 . . . . 99.99 115.265 -167.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -121.87 62.83 0.93 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.274 -1.38 . . . . 99.99 107.274 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -124.75 -90.59 0.56 Allowed 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.949 -170.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -153.56 165.65 35.21 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 124.177 0.991 . . . . 99.99 109.897 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.4 159.26 35.06 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.55 -1.02 . . . . 99.99 110.55 -171.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.698 HD11 HD23 ' E' ' 100' ' ' LEU . 0.1 OUTLIER 80.39 -39.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 125.002 1.321 . . . . 99.99 112.559 176.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.41 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.199 1.4 . . . . 99.99 111.368 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.18 -67.68 0.78 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.938 0.495 . . . . 99.99 110.922 -174.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.698 HD23 HD11 ' E' ' 97' ' ' ILE . 39.6 tp 56.19 67.89 2.58 Favored Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.333 1.053 . . . . 99.99 111.836 -171.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -95.33 1.28 2.47 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.665 2.243 . . . . 99.99 112.678 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.589 ' HG ' ' H ' ' E' ' 103' ' ' THR . 15.1 tp 62.95 -166.41 0.23 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.1 1.36 . . . . 99.99 108.963 -169.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 103' ' ' THR . . . . . 0.589 ' H ' ' HG ' ' E' ' 102' ' ' LEU . 27.3 p -85.82 7.66 23.02 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.183 0.593 . . . . 99.99 111.31 168.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.96 177.24 34.84 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 121.121 0.29 . . . . 99.99 113.1 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.54 -16.73 55.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.113 0.965 . . . . 99.99 109.955 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -127.9 132.45 49.31 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.716 -1.216 . . . . 99.99 107.716 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 20.2 m -68.89 -50.9 45.71 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 71.11 -18.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.451 1.278 . . . . 99.99 114.451 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.472 ' HB2' ' HD2' ' D' ' 137' ' ' PHE . 27.7 m-85 -68.14 97.46 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.772 0.829 . . . . 99.99 111.26 -171.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 72.07 -7.8 1.25 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.247 1.419 . . . . 99.99 113.211 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' D' ' 44' ' ' LEU . 71.2 mt -136.24 106.6 6.43 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.154 0.982 . . . . 99.99 109.089 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.85 39.93 0.13 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.538 -0.541 . . . . 99.99 109.538 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 64.67 122.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.315 1.446 . . . . 99.99 110.96 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 67.76 -70.38 0.12 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.942 1.297 . . . . 99.99 110.168 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 6.3 m 65.35 20.65 11.86 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.302 1.441 . . . . 99.99 110.823 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.26 -79.43 0.53 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.522 -0.763 . . . . 99.99 111.527 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -118.09 120.14 32.74 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.368 1.067 . . . . 99.99 108.566 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 139.49 51.15 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.362 2.042 . . . . 99.99 111.67 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.1 -71.86 0.4 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.111 0.565 . . . . 99.99 111.405 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' E' ' 232' ' ' THR . 37.9 t80 -123.7 3.66 8.89 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.295 0.638 . . . . 99.99 111.924 -169.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.472 HG13 HD13 ' D' ' 44' ' ' LEU . 46.4 t -121.04 122.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.981 0.512 . . . . 99.99 110.138 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.7 p -131.98 -77.32 0.51 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.443 0.697 . . . . 99.99 110.757 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . 0.688 ' HB2' ' HG2' ' E' ' 235' ' ' GLU . 18.4 m-20 -123.49 175.53 6.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.994 0.517 . . . . 99.99 110.79 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 72.3 m -136.07 141.74 44.28 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.126 0.97 . . . . 99.99 109.645 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -128.46 82.08 2.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.579 . . . . 99.99 110.431 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -164.92 117.45 1.22 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.679 0.792 . . . . 99.99 109.874 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 61.3 m -145.71 165.59 28.32 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.705 0.802 . . . . 99.99 111.435 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . 0.583 ' HB3' ' HG3' ' B' ' 15' ' ' ARG . . . -145.0 158.38 43.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.192 0.997 . . . . 99.95 110.057 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 30.5 p -89.4 122.56 32.73 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.515 0.726 . . . . 99.99 111.761 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.94 138.78 20.94 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.597 1.159 . . . . 99.99 109.815 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -161.46 -166.55 1.54 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.296 0.638 . . . . 99.99 109.694 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 40.6 m -103.78 177.0 4.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.943 0.897 . . . . 99.99 111.036 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 125' ' ' GLN . 6.4 t -115.02 172.45 7.04 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 168.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -82.65 123.67 6.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.818 -0.913 . . . . 99.66 110.818 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.632 ' HA ' HD21 ' E' ' 468' ' ' LEU . 19.3 t -85.51 51.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -55.77 -36.01 66.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.777 1.231 . . . . 99.99 112.105 -168.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.54 ' H ' ' HB3' ' E' ' 468' ' ' LEU . 41.7 p -96.73 108.63 21.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.969 -0.752 . . . . 99.99 108.969 171.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.666 ' HH ' HG13 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -77.13 -74.24 0.26 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.369 1.068 . . . . 99.99 109.817 -177.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 71.14 112.34 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.093 1.357 . . . . 99.99 112.687 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . 0.428 ' HA3' HG12 ' A' ' 131' ' ' VAL . . . 87.65 -85.39 1.51 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.779 -0.646 . . . . 99.99 111.972 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 49.27 69.69 0.56 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.082 1.353 . . . . 99.99 112.39 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.55 -75.4 0.07 Allowed 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.949 1.3 . . . . 99.99 108.714 -173.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.49 18.53 0.25 Allowed Glycine 0 N--CA 1.475 1.296 0 CA-C-O 119.972 -0.349 . . . . 99.99 112.967 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.3 p -164.81 128.56 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.871 0.869 . . . . 99.99 108.91 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -146.57 139.47 25.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.258 0.623 . . . . 99.99 111.181 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . 0.401 ' HB ' ' H ' ' C' ' 11' ' ' PHE . 4.5 mp -126.31 133.74 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 107.448 -1.316 . . . . 99.99 107.448 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.535 ' HB2' HE22 ' C' ' 4' ' ' GLN . 8.5 m170 -99.53 149.75 22.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.648 0.779 . . . . 99.99 109.273 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -148.8 -178.29 6.27 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.396 0.617 . . . . 99.99 111.778 -175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -104.68 139.29 39.72 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 106.813 -1.551 . . . . 99.99 106.813 158.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.94 114.3 1.39 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.598 1.159 . . . . 99.99 111.666 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -54.61 -50.75 83.75 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 118.374 -0.822 . . . . 99.99 112.925 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . 0.631 ' HD3' HG23 ' C' ' 55' ' ' VAL . 62.8 Cg_endo -85.36 171.65 8.7 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.921 1.748 . . . . 99.99 111.17 168.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.0 p 46.33 75.06 0.13 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.821 1.248 . . . . 99.99 111.974 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 48.9 mm -64.58 -30.95 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.933 0.893 . . . . 99.99 111.062 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.86 -34.74 71.94 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.474 -0.785 . . . . 99.99 110.776 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . 0.424 ' HB2' ' HZ1' ' E' ' 471' ' ' LYS . 45.5 mt-10 64.48 -73.62 0.05 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.465 1.506 . . . . 99.99 111.197 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.89 145.29 40.62 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.817 0.847 . . . . 99.99 108.833 171.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.63 12.56 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.279 0.631 . . . . 99.99 110.351 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . 0.576 ' HB3' ' HZ3' ' E' ' 159' ' ' LYS . 4.2 mmmp? -62.17 -17.67 58.68 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.699 0.8 . . . . 99.99 112.925 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.15 93.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.697 0.799 . . . . 99.99 110.887 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.34 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.152 1.381 . . . . 99.99 111.959 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.22 -50.39 2.42 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.575 -0.61 . . . . 99.99 111.575 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 55.0 tp 67.17 -69.44 0.13 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.863 1.665 . . . . 99.99 112.138 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -80.14 158.79 26.25 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.598 0.759 . . . . 99.99 111.957 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 10.1 t -112.78 -3.14 14.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.252 1.021 . . . . 99.99 110.407 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.72 -133.79 23.4 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.797 -0.521 . . . . 99.99 111.797 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -89.93 1.82 55.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.581 0.752 . . . . 99.99 111.628 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.4 p 55.26 13.64 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.872 0 C-N-CA 126.398 1.879 . . . . 99.99 113.216 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 10.7 t 49.25 30.91 3.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.375 1.87 . . . . 99.99 114.203 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 29.7 m -94.37 88.86 5.67 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 122.139 -0.35 . . . . 99.99 111.311 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.1 82.54 0.06 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.712 1.605 . . . . 99.99 113.633 169.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.77 100.6 10.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.208 0.603 . . . . 99.99 109.859 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.6 129.23 35.54 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.691 -1.14 . . . . 99.99 109.916 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -77.47 89.43 3.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 121.752 0.786 . . . . 99.99 109.022 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.26 174.2 9.12 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.903 -0.589 . . . . 99.99 111.031 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.21 93.51 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.418 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 42.1 p -59.07 135.91 87.83 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.949 0.9 . . . . 99.99 110.31 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.77 96.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.051 2.5 . . . . 99.99 112.309 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 65.33 168.15 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.226 1.411 . . . . 99.99 112.874 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -163.12 118.12 1.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.059 0.944 . . . . 99.99 108.848 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 9.8 tt -92.44 122.64 35.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.483 0.713 . . . . 99.99 109.593 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.79 111.6 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.79 -3.22 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.852 1.261 . . . . 99.99 113.042 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 53.82 -97.59 0.07 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.123 1.369 . . . . 99.99 110.732 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . 0.437 HG21 ' H ' ' E' ' 186' ' ' THR . 0.2 OUTLIER -154.88 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.259 1.023 . . . . 99.99 108.72 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 186' ' ' THR . . . . . 0.437 ' H ' HG21 ' E' ' 185' ' ' VAL . 57.2 m 54.03 -88.91 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.194 1.397 . . . . 99.99 112.008 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 26.2 t 156.76 165.96 0.01 OUTLIER 'General case' 0 C--O 1.251 1.159 0 C-N-CA 127.864 2.465 . . . . 99.99 106.475 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 61.67 36.37 16.57 Favored 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 122.545 1.164 . . . . 99.99 110.663 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -67.75 106.76 2.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.441 -1.254 . . . . 99.99 109.301 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 15.9 t 62.38 -171.46 0.16 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.2 0.937 . . . . 99.99 111.043 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 47.2 t80 67.7 -72.96 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.508 1.523 . . . . 99.99 112.019 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -55.67 -60.87 8.13 Favored Glycine 0 C--N 1.357 1.739 0 CA-C-O 119.173 -0.793 . . . . 99.99 113.615 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.43 76.05 0.52 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.157 2.571 . . . . 99.99 112.184 170.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 17.5 m -74.32 96.18 2.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.346 0.658 . . . . 99.99 110.718 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.4 93.44 2.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.805 0.842 . . . . 99.99 109.518 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -65.78 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.947 -0.761 . . . . 99.99 108.947 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 20.7 m 63.09 56.9 1.7 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.751 1.22 . . . . 99.99 113.95 164.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.51 -52.39 9.87 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 167.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -95.7 139.21 32.27 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 113.831 -1.531 . . . . 99.99 107.163 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' E' ' 34' ' ' ALA . 57.3 m -61.89 110.36 3.14 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.316 1.046 . . . . 99.99 112.546 -171.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.429 ' HG2' ' HG2' ' E' ' 206' ' ' GLU . 71.8 Cg_endo -75.58 -33.96 3.68 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.486 2.124 . . . . 99.99 111.902 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . 0.502 ' HA3' ' H ' ' E' ' 206' ' ' GLU . . . -96.97 -22.48 17.63 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.642 -0.532 . . . . 99.99 112.527 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 70.61 -68.57 0.2 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.481 1.513 . . . . 99.99 111.857 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -116.32 13.45 15.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.383 0.673 . . . . 99.99 111.351 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' E' ' 40' ' ' ALA . 73.3 mt -135.18 -82.98 0.42 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.522 0.729 . . . . 99.99 111.023 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' E' ' 37' ' ' ASP . 0.2 OUTLIER 68.06 120.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.597 1.559 . . . . 99.99 110.07 -171.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -138.51 113.12 8.94 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.281 0.633 . . . . 99.99 109.607 -176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.91 136.6 2.79 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.726 0.641 . . . . 99.99 112.081 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 69.0 44.25 68.51 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.828 0.37 . . . . 99.99 112.549 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -84.7 131.23 34.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 81.38 -75.09 2.35 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.119 -1.192 . . . . 99.99 110.119 -164.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 212' ' ' SER . . . . . 0.473 ' HB3' ' HA ' ' B' ' 147' ' ' GLU . 55.0 p -149.39 -78.1 0.14 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.66 0.784 . . . . 99.99 109.599 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.402 HG23 ' HG3' ' E' ' 216' ' ' GLN . 8.5 tp -167.98 4.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.332 0 C-N-CA 124.808 1.243 . . . . 99.99 109.081 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 21.8 m 86.56 -61.59 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 126.822 2.049 . . . . 99.99 111.461 -173.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -65.4 -13.43 58.65 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -167.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . 0.402 ' HG3' HG23 ' E' ' 213' ' ' ILE . 27.1 mt-30 -63.07 -54.79 32.56 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 119.087 -0.482 . . . . 99.99 111.345 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 43.9 tp 47.84 61.64 2.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.416 1.073 . . . . 99.99 110.588 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 57.6 mt -74.59 98.95 3.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.305 -0.861 . . . . 99.99 110.83 -172.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -73.85 84.33 1.69 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.927 -1.033 . . . . 99.99 109.504 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -155.02 -171.11 3.71 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.035 -1.438 . . . . 99.99 108.108 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 68.91 50.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 99.99 111.164 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -86.06 126.85 34.48 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 114.944 -1.025 . . . . 99.99 109.029 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -97.69 125.41 42.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.609 0.763 . . . . 99.99 111.428 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.56 158.01 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 123.925 0.89 . . . . 99.99 108.712 171.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 20.1 p -76.94 78.78 3.5 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 109.803 -0.443 . . . . 99.99 109.803 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.3 mt 71.88 -12.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.35 1.86 . . . . 99.99 114.262 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 88.82 -51.45 3.83 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 112.036 -0.426 . . . . 99.99 112.036 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -158.85 -179.02 33.4 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.101 -0.799 . . . . 99.99 111.101 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -72.83 120.34 7.33 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.54 -0.589 . . . . 99.99 111.828 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -65.36 -75.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.92 0.488 . . . . 99.99 109.788 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . 0.409 ' H ' ' HE2' ' E' ' 231' ' ' LYS . 0.3 OUTLIER 53.66 71.91 0.47 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.307 1.043 . . . . 99.99 111.44 177.523 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 232' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' E' ' 120' ' ' TYR . 5.7 t -147.05 125.99 12.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.484 -0.932 . . . . 99.99 108.484 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -21.24 65.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.452 0.701 . . . . 99.99 112.053 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.33 -176.47 0.2 Allowed 'General case' 0 C--O 1.248 0.979 0 C-N-CA 124.635 1.174 . . . . 99.99 111.567 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.688 ' HG2' ' HB2' ' E' ' 123' ' ' ASP . 8.0 tp10 62.79 -90.8 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.173 0.989 . . . . 99.99 111.677 172.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.0 m -161.14 156.56 24.56 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.791 1.236 . . . . 99.99 107.854 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.12 16.5 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.198 0.999 . . . . 99.99 111.413 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 60.1 m -52.04 113.56 1.05 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.813 1.245 . . . . 99.99 110.674 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 64.46 100.21 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.731 1.212 . . . . 99.99 109.631 -169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -68.9 85.31 0.21 Allowed Glycine 0 C--N 1.347 1.154 0 CA-C-N 115.969 -0.56 . . . . 99.99 112.051 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -89.55 -24.65 21.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.893 0.877 . . . . 99.99 110.933 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -67.29 -54.6 19.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.377 1.071 . . . . 99.99 109.884 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 59.42 65.76 1.12 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.541 1.136 . . . . 99.99 111.993 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -88.08 -96.32 0.96 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.381 -1.088 . . . . 99.99 110.381 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 79.59 -45.59 0.33 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.572 1.549 . . . . 99.99 113.455 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.4 m 67.27 64.21 0.43 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.957 1.303 . . . . 99.99 111.697 173.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.5 tp -90.53 -19.02 24.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.067 -0.969 . . . . 99.99 111.161 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.75 67.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.918 0.887 . . . . 99.99 112.845 -169.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.59 -44.33 36.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.869 1.268 . . . . 99.99 113.387 -170.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.21 -27.03 65.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.357 0.873 . . . . 99.99 113.357 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -66.0 -62.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.397 1.258 . . . . 99.99 114.397 -164.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -90.79 -62.57 1.42 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.427 0.899 . . . . 99.99 113.427 -168.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.99 3.31 55.52 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -162.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . 0.476 ' HB3' ' HB2' ' E' ' 257' ' ' GLN . 1.1 mmp_? 69.83 93.74 0.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 107.323 -1.362 . . . . 99.99 107.323 -163.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.48 108.16 1.25 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.184 -0.787 . . . . 99.99 114.176 -170.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 67.3 t80 80.14 -29.41 0.13 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.702 1.601 . . . . 99.99 111.903 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' E' ' 264' ' ' SER . 2.1 mp0 -66.76 -70.03 0.27 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.719 -0.475 . . . . 99.99 109.719 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 46.6 tp 58.71 -77.54 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.34 1.456 . . . . 99.99 112.41 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.21 6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 123.573 0.749 . . . . 99.99 110.365 -176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 19.7 m -84.77 45.06 1.11 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.515 1.126 . . . . 99.99 110.84 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 69.76 162.24 0.23 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.643 1.577 . . . . 99.99 110.825 -167.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.86 73.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.598 -0.728 . . . . 99.99 111.234 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -83.13 -17.85 41.54 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.59 -0.732 . . . . 99.99 112.343 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 264' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' E' ' 257' ' ' GLN . 84.0 p 53.31 100.94 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.174 1.39 . . . . 99.99 112.278 -172.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.41 84.67 0.81 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.109 0.564 . . . . 99.99 110.381 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -51.99 -51.19 58.94 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.059 0.944 . . . . 99.99 110.376 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 8.5 m -148.57 -76.63 0.16 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.135 -0.939 . . . . 99.99 108.904 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.8 11.3 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.352 0.661 . . . . 99.99 112.197 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 98.15 3.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.602 0.715 . . . . 99.99 110.405 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' E' ' 273' ' ' GLN . 11.5 tp10 -69.21 132.01 45.82 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.848 -1.069 . . . . 99.99 110.288 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.85 71.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.809 0.844 . . . . 99.99 110.892 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.07 -20.84 60.15 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.717 0.807 . . . . 99.99 110.533 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' E' ' 270' ' ' GLU . 72.1 mt-30 64.24 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.163 1.785 . . . . 99.99 111.279 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -78.99 24.7 0.3 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.605 1.162 . . . . 99.99 112.893 -173.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' E' ' 276' ' ' PRO . 5.2 tppp? -50.49 119.13 10.59 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 109.766 -0.457 . . . . 99.99 109.766 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' E' ' 275' ' ' LYS . 98.1 Cg_endo -102.32 95.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.888 2.392 . . . . 99.99 113.431 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' C' ' 87' ' ' ALA . 7.2 tt -58.43 -46.23 86.9 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 106.784 -1.562 . . . . 99.99 106.784 161.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.581 ' HA ' ' HE2' ' C' ' 94' ' ' MET . 0.3 OUTLIER -85.08 111.13 19.48 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.726 -1.579 . . . . 99.99 107.561 173.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -82.14 58.65 4.94 Favored Glycine 0 C--N 1.349 1.299 0 O-C-N 123.29 0.369 . . . . 99.99 113.554 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -178.36 138.59 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.357 -1.72 . . . . 99.99 106.357 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.594 ' HB3' HD12 ' C' ' 98' ' ' LEU . 5.0 t80 67.98 98.52 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.153 0.981 . . . . 99.99 110.854 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -155.29 -77.61 0.1 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.395 -0.965 . . . . 99.99 108.395 172.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.29 107.61 15.48 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.743 -1.206 . . . . 99.99 107.743 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -176.27 -44.82 0.06 OUTLIER Glycine 0 C--O 1.225 -0.427 0 CA-C-O 118.93 -0.928 . . . . 99.99 112.29 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 75.11 144.54 0.08 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.7 1.2 . . . . 99.99 109.607 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 93.1 mtp -108.06 122.25 41.28 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.41 -69.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.794 2.33 . . . . 99.99 111.695 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 89.8 t 55.79 96.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.003 0 O-C-N 124.563 1.165 . . . . 99.99 111.074 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 134.88 39.79 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.512 -0.767 . . . . 99.99 110.536 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.425 ' HE1' HG21 ' C' ' 40' ' ' VAL . 30.9 t-105 -69.2 139.43 54.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 73.34 104.17 0.07 OUTLIER Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.11 84.87 0.26 Allowed 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.324 2.016 . . . . 99.99 111.099 170.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -110.02 28.95 8.09 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.492 -1.231 . . . . 99.99 110.721 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.42 -176.06 0.15 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.329 1.052 . . . . 99.99 111.752 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.557 ' HA ' HD11 ' C' ' 126' ' ' LEU . 12.2 t -128.22 -6.73 5.38 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.103 0.561 . . . . 99.99 110.63 174.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.524 ' HH ' ' HD1' ' C' ' 74' ' ' PHE . 18.8 m-85 -100.71 -87.44 0.38 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.095 0.558 . . . . 99.99 111.075 -176.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.83 -28.05 0.19 Allowed 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.07 1.348 . . . . 99.99 112.38 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 156.88 -111.56 0.49 Allowed Glycine 0 C--N 1.361 1.946 0 N-CA-C 111.086 -0.806 . . . . 99.99 111.086 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . 0.495 HD21 HG22 ' E' ' 301' ' ' ILE . 10.3 t30 70.6 -65.68 0.32 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 125.62 1.568 . . . . 99.99 113.895 170.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.495 HG22 HD21 ' E' ' 300' ' ' ASN . 47.3 pt -86.01 40.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 CA-C-O 121.437 0.637 . . . . 99.99 111.82 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.27 99.91 1.24 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.869 0.867 . . . . 99.99 110.048 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 61.41 100.54 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.033 1.333 . . . . 99.99 110.93 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.32 94.48 0.14 Allowed 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.931 2.42 . . . . 99.99 110.846 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -70.64 99.48 1.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.991 -1.004 . . . . 99.99 110.502 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' D' ' 14' ' ' GLN . 66.1 t -78.61 161.85 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.068 1.347 . . . . 99.99 109.722 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 307' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' E' ' 3' ' ' GLN . 17.6 m -56.84 114.22 1.99 Allowed 'General case' 0 C--N 1.362 1.143 0 C-N-CA 123.811 0.844 . . . . 99.99 112.013 -172.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.421 ' SG ' ' HA3' ' E' ' 89' ' ' GLY . 31.1 t -105.86 21.96 16.4 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.218 1.007 . . . . 99.99 111.186 -174.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 63.7 m 66.98 106.64 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.257 1.423 . . . . 99.99 112.523 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -84.11 97.09 0.73 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.721 2.281 . . . . 99.99 112.585 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -81.71 -40.84 1.02 Allowed Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.471 -0.776 . . . . 99.99 110.819 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.09 101.62 1.12 Allowed 'Trans proline' 0 C--N 1.397 3.098 0 C-N-CA 121.663 1.575 . . . . 99.99 111.207 167.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.91 102.53 1.6 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.339 -0.846 . . . . 99.99 109.693 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' E' ' 314' ' ' ARG . 9.4 mmp_? -89.63 115.57 27.11 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.789 -0.641 . . . . 99.99 110.755 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . 0.446 HD22 ' HA ' ' E' ' 318' ' ' VAL . 7.1 t30 -153.93 82.32 1.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.445 -1.317 . . . . 99.99 107.445 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.46 -34.41 65.35 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.529 -0.76 . . . . 99.99 109.694 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 38.5 t -89.69 104.34 16.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.918 -1.037 . . . . 99.99 108.83 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . 0.446 ' HA ' HD22 ' E' ' 315' ' ' ASN . 33.1 m -80.64 129.51 68.18 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 122.86 0.464 . . . . 99.99 110.433 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.58 -4.9 12.41 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.53 2.153 . . . . 99.99 113.011 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 34.0 p -76.01 90.01 3.01 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.838 0.855 . . . . 99.99 109.932 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.8 tt 65.81 -81.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.966 1.306 . . . . 99.99 110.021 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.88 -82.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.339 1.456 . . . . 99.99 113.08 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.58 13.1 12.85 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.268 1.027 . . . . 99.99 111.97 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.8 ttp 75.08 129.87 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.714 1.606 . . . . 99.99 111.452 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 325' ' ' THR . . . . . 0.566 HG22 ' H ' ' E' ' 326' ' ' ASP . 2.1 t -122.33 -84.13 0.66 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.164 -1.05 . . . . 99.99 108.164 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.566 ' H ' HG22 ' E' ' 325' ' ' THR . 5.3 m-20 59.72 20.54 9.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.537 1.135 . . . . 99.99 113.9 159.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 70.33 -4.96 1.45 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.24 1.416 . . . . 99.99 111.974 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.49 61.24 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.404 1.082 . . . . 99.99 110.61 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.97 -18.24 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 115.994 -0.548 . . . . 99.99 111.677 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -81.33 -44.37 17.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.629 0.771 . . . . 99.99 110.062 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' E' ' 332' ' ' LEU . 4.2 tt -76.91 -62.44 1.64 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' E' ' 331' ' ' LEU . 1.9 mm? -86.76 74.72 9.75 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.39 -0.967 . . . . 99.99 108.39 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 67.0 p -77.63 -50.39 12.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.571 0.749 . . . . 99.99 110.216 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.592 ' HG3' ' H ' ' E' ' 336' ' ' GLU . 11.0 ptpp? -167.75 -157.38 0.22 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 107.302 -1.37 . . . . 99.99 107.302 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -63.44 -21.96 66.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.259 0.624 . . . . 99.99 111.635 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.592 ' H ' ' HG3' ' E' ' 334' ' ' LYS . 38.5 tt0 -52.0 111.72 0.66 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.934 1.294 . . . . 99.99 110.531 168.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.561 ' HZ2' ' HB3' ' E' ' 337' ' ' LYS . 9.0 mtpm? -117.44 -73.65 0.64 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.87 0.868 . . . . 99.99 110.203 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . 0.652 ' HA2' ' HB3' ' A' ' 70' ' ' GLU . . . 167.01 -166.96 39.51 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 116.569 -0.287 . . . . 99.99 113.401 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 52.5 t80 67.74 96.19 0.06 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.425 1.49 . . . . 99.99 112.096 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -101.06 -69.89 0.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.849 0.86 . . . . 99.99 111.093 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 45.6 tp -161.02 143.32 12.4 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.043 0.537 . . . . 99.99 110.257 -174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . 0.548 ' HG3' HG13 ' E' ' 343' ' ' VAL . 29.6 pt20 -85.59 -36.6 20.29 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.637 0.775 . . . . 99.99 112.329 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . 0.548 HG13 ' HG3' ' E' ' 342' ' ' GLN . 28.3 m -101.43 130.55 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.173 0.589 . . . . 99.99 111.387 -175.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.67 151.93 38.86 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.881 -0.785 . . . . 99.99 108.881 171.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -62.7 102.71 0.53 Allowed Glycine 0 C--N 1.355 1.601 0 O-C-N 123.288 0.368 . . . . 99.99 112.374 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -117.04 -41.07 3.04 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 99.99 111.249 -173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 23.2 t -84.8 9.52 13.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.89 0.876 . . . . 99.99 111.921 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.09 115.66 29.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 108.955 -0.757 . . . . 99.99 108.955 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.78 139.97 40.57 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.571 0.749 . . . . 99.99 109.321 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -77.42 160.79 28.47 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 99.99 109.309 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.18 26.86 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.091 1.145 . . . . 99.99 114.091 -169.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.85 127.73 11.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.738 0.815 . . . . 99.99 109.295 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -95.24 -3.42 47.62 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.648 0.779 . . . . 99.99 110.046 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.93 58.0 0.21 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.431 1.492 . . . . 99.99 111.243 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -152.65 -84.1 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.0 -1.0 . . . . 99.99 109.265 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 48.91 68.59 3.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 124.858 1.263 . . . . 99.99 111.67 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 87.88 0.4 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.348 2.032 . . . . 99.99 111.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.1 t -158.6 140.26 13.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.869 0.868 . . . . 99.99 110.19 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 157.13 -154.89 25.92 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.287 0.367 . . . . 99.99 112.589 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 136.07 40.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.203 1.001 . . . . 99.99 109.343 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 8.5 tp -116.19 -39.39 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.43 0.692 . . . . 99.99 111.435 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -166.33 -40.96 0.02 OUTLIER Glycine 0 C--N 1.349 1.261 0 C-N-CA 121.453 -0.403 . . . . 99.99 112.77 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 58.5 18.34 5.62 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.337 1.455 . . . . 99.99 112.684 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 87.2 m 62.07 98.79 0.03 OUTLIER 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.861 1.265 . . . . 99.99 110.612 -166.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.89 164.56 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 122.887 0.475 . . . . 99.99 110.033 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.2 105.19 3.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.41 0.684 . . . . 99.99 111.059 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.67 -19.33 45.48 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.733 0.813 . . . . 99.99 109.599 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -25.33 61.82 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.587 0.755 . . . . 99.99 112.927 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.17 -40.42 97.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.112 0.565 . . . . 99.99 110.852 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.56 72.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.325 0.65 . . . . 99.99 111.073 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.77 -41.36 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.49 0.716 . . . . 99.99 111.044 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.84 -16.28 62.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.064 0.546 . . . . 99.99 112.092 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.54 -25.72 67.48 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.099 0.56 . . . . 99.99 110.924 173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -70.19 -24.17 63.08 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.68 0.792 . . . . 99.99 111.87 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.57 -43.0 81.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.621 -0.881 . . . . 99.99 108.621 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.68 -35.45 78.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.128 0.571 . . . . 99.99 110.637 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -67.32 -33.52 75.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.66 0.784 . . . . 99.99 109.913 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.88 61.02 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.56 0.744 . . . . 99.99 110.709 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -76.46 -24.11 53.88 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.85 0.86 . . . . 99.99 110.038 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -112.68 38.07 2.89 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.082 0.953 . . . . 99.99 108.564 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.39 154.66 39.53 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.746 -0.661 . . . . 99.99 110.662 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 162.43 -39.13 0.36 Allowed Glycine 0 C--O 1.24 0.477 0 N-CA-C 111.229 -0.748 . . . . 99.99 111.229 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 66.7 t30 63.7 12.91 6.97 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.45 1.1 . . . . 99.99 111.316 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 46.1 p -64.3 -44.57 91.23 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.58 1.152 . . . . 99.99 110.849 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 98.1 mt -137.61 155.63 48.97 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.306 1.442 . . . . 99.99 107.728 170.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.43 115.74 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 121.226 0.536 . . . . 99.99 110.02 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.9 121.77 20.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 N-CA-C 107.924 -1.139 . . . . 99.99 107.924 169.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.77 124.67 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.831 0.707 . . . . 99.99 110.303 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 132.88 49.97 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.942 -0.762 . . . . 99.99 108.942 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.76 144.71 54.29 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.152 0.581 . . . . 99.99 111.032 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.12 146.35 28.02 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.814 0.696 . . . . 99.99 110.479 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -74.0 -64.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.551 -0.749 . . . . 99.99 111.171 -170.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -147.63 90.2 1.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.926 0.49 . . . . 99.99 111.547 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -97.33 -38.01 9.82 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.851 0.46 . . . . 99.99 111.172 173.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.28 -85.21 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.983 1.313 . . . . 99.99 111.825 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 39.2 t -172.04 54.82 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 65.86 102.57 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.013 -1.106 . . . . 99.99 108.013 -168.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.44 147.49 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 112.249 0.463 . . . . 99.99 112.249 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 31.5 t 55.72 64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 124.42 1.088 . . . . 99.99 109.711 -170.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.419 ' H ' ' HD2' ' E' ' 401' ' ' PRO . . . -163.87 -48.84 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-N 114.902 -1.044 . . . . 99.99 111.646 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.419 ' HD2' ' H ' ' E' ' 400' ' ' ALA . 32.8 Cg_endo -63.05 164.25 20.07 Favored 'Trans proline' 0 C--N 1.399 3.195 0 CA-C-N 121.451 1.554 . . . . 99.99 111.902 174.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 16.4 t70 69.32 -80.37 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.787 1.235 . . . . 99.99 110.818 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.3 m 59.91 95.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.626 1.171 . . . . 99.99 111.051 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -67.55 112.97 5.0 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.33 89.63 Favored Pre-proline 0 CA--C 1.563 1.446 0 O-C-N 124.188 0.93 . . . . 99.99 112.044 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . 0.676 ' HB2' ' HB2' ' E' ' 411' ' ' ALA . 42.3 Cg_endo -85.8 -158.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.202 1.935 . . . . 99.99 111.504 169.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -54.45 145.56 27.25 Favored Glycine 0 C--N 1.358 1.804 0 CA-C-O 118.766 -1.019 . . . . 99.99 111.441 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.58 73.42 0.24 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.674 1.19 . . . . 99.99 113.109 -163.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.0 t 170.13 -50.76 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.076 1.75 . . . . 99.99 109.005 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 176.5 3.19 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.827 1.251 . . . . 99.99 110.332 -174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' E' ' 406' ' ' PRO . . . 70.82 111.34 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.345 1.458 . . . . 99.99 110.363 -165.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' E' ' 415' ' ' LYS . 96.2 mt -70.56 101.53 2.04 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.542 0.737 . . . . 99.99 109.392 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.12 15.64 10.11 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.985 0.914 . . . . 99.99 111.21 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 3.1 m 61.76 14.43 6.17 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.713 1.205 . . . . 99.99 112.031 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' E' ' 412' ' ' LEU . 64.1 pttt -68.02 -18.7 64.78 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.6 0.76 . . . . 99.99 111.061 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.11 -38.83 77.21 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.12 1.368 . . . . 99.99 109.676 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -95.12 41.89 2.45 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.055 -0.975 . . . . 99.99 112.029 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.42 -81.46 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.442 1.497 . . . . 99.99 111.654 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 1.6 p 55.32 8.61 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 C-N-CA 127.273 2.229 . . . . 99.99 114.463 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.7 ptm -113.89 163.31 15.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.531 0.733 . . . . 99.99 109.605 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 86.7 t 74.27 -62.52 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 125.568 1.547 . . . . 99.99 111.146 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 21.3 ttt 60.15 52.12 5.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.868 1.267 . . . . 99.99 109.882 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.4 t -69.01 139.57 54.98 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.531 -1.213 . . . . 99.99 109.334 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -74.44 -44.88 49.77 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.698 0.799 . . . . 99.99 110.843 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 61.03 29.27 70.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.815 0.697 . . . . 99.99 113.159 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' E' ' 471' ' ' LYS . 14.1 t30 -79.53 160.91 26.31 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.071 0.948 . . . . 99.99 110.101 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 5.2 m -49.52 -38.67 31.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.659 1.184 . . . . 99.99 112.054 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 76.11 -59.97 0.5 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.435 1.894 . . . . 99.99 110.79 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.56 2.8 8.86 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.561 1.145 . . . . 99.99 112.527 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.09 -13.11 59.49 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.817 0.847 . . . . 99.99 111.083 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 32.8 t -59.3 -17.17 26.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.872 1.269 . . . . 99.99 112.349 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' E' ' 432' ' ' GLN . 0.0 OUTLIER -54.63 -41.84 70.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.244 1.018 . . . . 99.99 111.77 172.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 62.31 -87.69 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.75 1.281 . . . . 99.99 110.359 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -175.19 133.25 0.31 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.797 1.239 . . . . 99.99 108.13 170.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 20.5 p -91.68 -18.22 24.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.482 0.713 . . . . 99.99 112.207 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -93.25 170.77 31.8 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-O 120.008 -0.329 . . . . 99.99 112.546 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.4 p -173.16 -154.18 0.07 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.565 1.146 . . . . 99.99 108.771 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.85 140.04 58.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.204 0.601 . . . . 99.99 111.476 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 42.8 mt 66.29 -92.81 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.102 1.361 . . . . 99.99 109.003 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 47.32 36.87 5.18 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.716 1.376 . . . . 99.99 114.716 170.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 30.9 pt 44.89 32.41 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 126.28 1.832 . . . . 99.99 113.269 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -123.37 -37.27 2.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.414 1.086 . . . . 99.99 109.514 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -68.75 96.49 0.74 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.445 -0.798 . . . . 99.99 110.383 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -134.98 -3.13 2.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.144 0.977 . . . . 99.99 111.441 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -81.84 163.69 44.07 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.314 -0.715 . . . . 99.99 113.108 -174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -52.34 144.96 37.8 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.935 3.09 . . . . 99.99 114.549 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -106.07 20.46 18.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.634 1.174 . . . . 99.99 110.502 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 67.9 96.09 0.06 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.339 1.456 . . . . 99.99 111.517 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -151.0 24.74 0.74 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.812 0.845 . . . . 99.99 110.893 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -142.69 159.15 42.79 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.825 -0.805 . . . . 99.99 108.825 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.602 HG23 ' SD ' ' A' ' 94' ' ' MET . 66.9 t -81.31 -52.11 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.607 0.763 . . . . 99.99 110.597 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.5 m -144.35 154.55 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.953 0.501 . . . . 99.99 110.328 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.15 18.55 31.07 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 115.952 -0.567 . . . . 99.99 113.238 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.49 123.84 30.13 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.047 0.539 . . . . 99.99 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 90.9 m -147.05 136.77 23.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.924 1.29 . . . . 99.99 108.493 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.13 -72.29 0.73 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.42 0.688 . . . . 99.99 111.608 -169.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 77.67 -53.22 0.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.403 1.881 . . . . 99.99 112.156 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.559 HG21 ' H ' ' E' ' 459' ' ' ASP . 1.9 t -77.64 -76.77 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.398 0.679 . . . . 99.99 112.17 -170.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . 0.559 ' H ' HG21 ' E' ' 458' ' ' THR . 23.8 t70 179.59 126.56 0.07 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.942 1.697 . . . . 99.99 106.94 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.34 -64.86 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.582 1.153 . . . . 99.99 112.679 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -175.81 21.65 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.901 0.88 . . . . 99.99 110.521 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.84 -114.37 0.21 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 -170.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.9 t 177.16 147.8 0.12 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.585 1.154 . . . . 99.99 109.147 -176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.663 ' SD ' HD13 ' A' ' 42' ' ' LEU . 34.9 tpp -160.02 112.64 2.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.041 0.536 . . . . 99.99 110.346 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -172.34 106.19 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.96 1.304 . . . . 99.99 109.576 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -95.15 143.46 26.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.652 -0.87 . . . . 99.99 108.652 169.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -147.37 43.22 1.11 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.557 0.694 . . . . 99.99 109.728 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' E' ' 135' ' ' VAL . 2.7 pp -60.97 -29.03 69.42 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.692 -1.14 . . . . 99.99 113.442 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 70.98 100.77 0.05 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.424 -0.67 . . . . 99.99 111.424 -176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.535 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 87.9 mt -60.8 98.11 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.168 0.587 . . . . 99.99 109.976 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.424 ' HZ1' ' HB2' ' E' ' 156' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.703 0 C-N-CA 124.403 1.081 . . . . 99.99 108.931 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.693 -0.484 . . . . 99.99 109.693 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -65.83 -61.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.534 0.734 . . . . 99.99 110.499 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -158.65 151.68 22.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.446 0.698 . . . . 99.99 110.5 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.21 16.68 19.06 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 169.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.89 -79.07 0.15 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.315 1.046 . . . . 99.99 109.4 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 23.0 m120 50.05 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.253 1.421 . . . . 99.99 113.162 171.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.552 ' HB ' ' HA ' ' C' ' 149' ' ' THR . 11.9 m 54.51 -94.39 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 125.184 1.393 . . . . 99.99 111.451 -173.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 46.12 54.59 8.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.748 1.219 . . . . 99.99 112.222 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.431 ' HB3' HG21 ' A' ' 89' ' ' ILE . 24.0 ptt? -85.36 168.26 14.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.345 -1.298 . . . . 99.99 111.591 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -140.34 140.09 35.52 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.084 0.953 . . . . 99.99 109.258 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.2 t80 -138.62 134.64 33.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.601 0.76 . . . . 99.99 110.266 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -156.8 117.43 3.63 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.015 0.926 . . . . 99.99 109.203 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 34.4 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.509 ' HB3' HG23 ' B' ' 122' ' ' THR . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 17.02 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 50.99 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 18.45 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 13.15 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 6.92 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 22.19 109.188 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 43.73 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 63.88 111.083 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 73.6 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' E' ' 437' ' ' SER . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB2' ' HB1' ' E' ' 467' ' ' ALA . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 99.99 109.401 176.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.603 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' E' ' 460' ' ' LEU . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 50.91 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 67.81 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.477 ' HB2' ' HB ' ' E' ' 452' ' ' VAL . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 99.99 109.966 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 81.17 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 83' ' ' ILE . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' HB3' HG13 ' E' ' 452' ' ' VAL . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.23 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG12 ' HD3' ' A' ' 103' ' ' PRO . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 75.11 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 32.98 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 27.21 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 28.74 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.603 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 35.81 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 19.33 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 29.68 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 25.47 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 80.58 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 99.99 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HB2' HG23 ' E' ' 165' ' ' THR . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 40.21 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 30.66 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 59.79 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.411 HD11 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 30.86 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 20.96 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 21.28 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.511 HG22 HD12 ' A' ' 51' ' ' LEU . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 80.87 108.665 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.58 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m -77.32 92.37 3.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.3 141.32 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.96 0.904 . . . . 99.99 110.823 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.22 170.94 3.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.742 1.217 . . . . 99.99 109.813 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.28 59.38 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.655 0.597 . . . . 99.99 112.559 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 9' ' ' MET . 1.3 pp -132.09 139.49 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.77 0.828 . . . . 99.99 111.204 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -134.36 173.73 11.3 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.839 0.855 . . . . 99.99 110.878 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.49 7.89 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 115.319 -0.855 . . . . 99.99 114.882 172.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 t -77.85 -35.98 50.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 99.99 110.815 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 96' ' ' HIS . 47.9 tp60 -68.97 -36.2 77.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.965 0.506 . . . . 99.99 111.408 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 23.0 ptm -66.26 -43.92 85.13 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 172.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.62 66.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.745 0.818 . . . . 99.99 111.725 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 93' ' ' GLN . 57.6 m-70 -65.86 -47.64 74.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.885 -0.598 . . . . 99.99 109.992 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.4 t -69.88 -65.57 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.508 0.505 . . . . 99.99 110.987 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 HD23 HG12 ' E' ' 452' ' ' VAL . 2.7 pp -72.76 -16.38 61.64 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 -173.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 99.99 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.56 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 99.99 111.983 -171.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 79.06 112.595 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 59.39 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 99.99 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 83.34 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD23 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 42.55 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 17.98 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 13.2 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 36.0 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 15.85 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 19.0 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 5.43 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 18.83 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 22.63 110.239 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 6.65 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 88.83 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 51.92 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 39.96 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 11.33 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.546 HG23 ' NE ' ' B' ' 15' ' ' ARG . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 32.89 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 19.39 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 30.18 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 90.79 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.437 ' ND2' ' HB ' ' C' ' 16' ' ' ILE . 8.0 m120 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 93.81 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 77.99 113.047 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 85.02 112.303 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 111.94 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -109.79 108.1 18.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.789 0.836 . . . . 99.99 109.908 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -73.4 -16.22 61.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.144 0.497 . . . . 99.99 111.362 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.28 -33.2 75.42 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.806 0.842 . . . . 99.99 111.051 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.55 -51.87 67.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.77 0.828 . . . . 99.99 112.735 -172.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.541 HD11 ' H ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.06 -26.88 65.19 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 111.773 0.286 . . . . 99.99 111.773 -177.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.76 -26.56 44.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.815 0.446 . . . . 99.99 111.779 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.475 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 29.4 mmt -65.72 -39.76 91.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.663 -0.495 . . . . 99.99 109.663 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.614 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 85.5 m-20 -63.05 -35.57 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 124.403 1.064 . . . . 99.99 111.477 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -80.44 -42.01 23.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.241 0.617 . . . . 99.99 111.275 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.52 -40.88 85.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.471 0.709 . . . . 99.99 111.771 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 150' ' ' GLU . 59.3 tp60 -157.51 -13.23 0.08 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.578 0.584 . . . . 99.99 112.578 -170.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.614 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 51.3 tp60 62.08 -168.27 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.371 0.668 . . . . 99.99 109.298 -168.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.413 ' H ' ' HG3' ' A' ' 143' ' ' GLN . 29.6 tt0 -55.51 134.23 50.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 166.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.93 52.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.04 1.336 . . . . 99.99 113.171 -167.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.95 57.28 0.06 OUTLIER Glycine 0 N--CA 1.471 1.004 0 CA-C-N 116.505 -0.316 . . . . 99.99 112.442 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.73 -46.75 29.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.375 0.67 . . . . 99.99 110.285 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.9 138.59 3.73 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.532 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 29.9 m -71.32 -39.05 71.64 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.139 0.576 . . . . 99.99 110.058 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -77.77 -58.43 3.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.81 0.844 . . . . 99.99 109.164 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.49 -54.63 44.36 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.098 0.959 . . . . 99.99 112.23 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.9 t60 62.41 37.21 13.77 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.26 1.024 . . . . 99.99 110.909 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 63.67 -82.78 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.087 1.355 . . . . 99.99 111.768 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -142.72 -66.31 0.39 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.615 0.766 . . . . 99.99 109.004 -175.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 CA-C-O 118.692 -0.67 . . . . 99.99 111.143 -179.795 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HG2' ' E' ' 404' ' ' LYS . 57.9 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 108.48 -0.933 . . . . 99.99 108.48 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 64.5 100.04 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.384 1.073 . . . . 99.99 110.921 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.463 ' HG2' HD11 ' E' ' 408' ' ' LEU . 28.9 mm-40 -88.67 5.84 41.27 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.477 0.547 . . . . 99.99 112.477 -170.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 71.03 5.4 5.47 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.186 1.394 . . . . 99.99 113.028 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 19.0 m120 63.8 -70.47 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.16 1.384 . . . . 99.99 111.908 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 64.75 21.67 12.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.734 1.213 . . . . 99.99 111.63 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.8 m -138.71 147.04 42.26 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.7 0.8 . . . . 99.99 110.032 -172.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -67.49 91.14 0.26 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.021 0.929 . . . . 99.99 109.455 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' B' ' 10' ' ' THR . 1.0 OUTLIER 65.93 170.38 0.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.884 1.274 . . . . 99.99 109.838 -170.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 87.3 m -135.27 118.8 16.93 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.049 -1.032 . . . . 99.99 108.629 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.22 122.82 18.57 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.497 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 61.13 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 99.99 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 122' ' ' THR . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 99.99 110.97 -171.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 22.84 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 25.35 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.432 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 18.25 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 41.37 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.432 HD13 ' SG ' ' B' ' 113' ' ' CYS . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 15.07 108.998 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 29.37 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.455 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 11.41 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 27.88 107.048 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 51.27 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.528 ' HB1' ' HE3' ' A' ' 19' ' ' LYS . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 99.99 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 99.89 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.516 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 99.99 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 99.99 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.505 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 89.58 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 50.34 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 99.99 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 44.59 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 98.19 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 93.17 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 98.7 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 99.99 108.566 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 85.08 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 32.75 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 89.85 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.505 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 99.99 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 30.69 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 50.25 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 27.1 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 27.69 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 28.91 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 82.69 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 84.99 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 91.81 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 39.53 111.219 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 37.29 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 21.12 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 29.86 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.592 ' SG ' HG21 ' B' ' 114' ' ' ILE . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 13.61 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 13.23 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 36.68 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.428 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 12.8 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 51.05 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.497 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 99.99 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 99.23 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' B' ' 10' ' ' THR . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 99.99 111.234 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.658 ' HA ' ' HB1' ' E' ' 21' ' ' ALA . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.498 ' HE3' ' HA ' ' E' ' 17' ' ' PRO . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.586 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 99.37 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 67.76 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 81.59 111.579 -174.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.586 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 55.65 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 48.03 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 99.99 111.772 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 59.06 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 27.15 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 18.14 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 25.24 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 18.19 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 76.84 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 28.75 111.203 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.592 HG21 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 30.1 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' THR . . . . . 0.411 HG22 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 17.12 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.81 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.578 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 50.71 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 23.64 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.597 ' HA ' HE22 ' C' ' 125' ' ' GLN . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 49.99 112.615 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 17' ' ' TYR . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 33.79 112.692 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 28.26 110.958 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 39.05 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.416 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 99.99 106.524 170.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 99.99 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 99.99 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 64.44 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.423 ' HD3' ' HH ' ' D' ' 109' ' ' TYR . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 75.43 111.193 175.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.494 ' HA ' HG13 ' E' ' 306' ' ' VAL . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.99 110.966 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -92.18 71.68 5.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.516 ' HE2' ' HA ' ' E' ' 10' ' ' LEU . 69.0 t80 -71.3 -19.43 62.33 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.379 -0.828 . . . . 99.99 110.149 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.44 -45.92 56.26 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.965 1.306 . . . . 99.99 110.668 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.35 68.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.56 -1.2 . . . . 99.99 112.665 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.33 -56.08 16.89 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.884 0.874 . . . . 99.99 109.994 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -80.68 -12.93 59.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.84 0.456 . . . . 99.99 111.767 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.67 -17.09 64.02 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.917 0.487 . . . . 99.99 111.23 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -73.6 -17.54 61.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.361 0.264 . . . . 99.99 110.572 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' E' ' 30' ' ' GLU . 57.7 t80 -78.39 -41.7 32.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.375 -0.602 . . . . 99.99 109.375 170.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.72 -5.76 47.26 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.096 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.52 92.35 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.776 0.831 . . . . 99.99 109.194 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . 0.411 ' HB2' ' HB3' ' E' ' 37' ' ' ASP . 58.1 tp60 -94.56 151.66 19.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.389 0.676 . . . . 99.99 109.625 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.58 -59.71 4.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.611 0.765 . . . . 99.99 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' E' ' 45' ' ' ARG . . . -145.5 13.28 1.37 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.538 -0.755 . . . . 99.99 112.028 -170.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' E' ' 37' ' ' ASP . . . 70.3 144.75 0.25 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 113.868 0.307 . . . . 99.99 113.868 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -153.67 103.04 2.59 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.658 0.729 . . . . 99.99 111.091 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.48 107.07 3.37 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.1 m -74.23 146.12 43.55 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.55 0.74 . . . . 99.99 110.423 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . 0.523 ' HG2' ' H ' ' B' ' 151' ' ' GLU . 20.1 tt0 60.83 -150.7 0.41 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.055 0.942 . . . . 99.99 109.211 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.523 ' H ' ' HG2' ' B' ' 150' ' ' GLU . 35.1 tt0 71.62 -68.17 0.23 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.866 1.267 . . . . 99.99 112.371 173.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -106.2 95.18 5.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.85 1.26 . . . . 99.99 109.858 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -168.49 140.97 2.87 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.775 0.83 . . . . 99.99 110.206 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -168.17 118.73 0.79 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.236 1.014 . . . . 99.99 108.587 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.554 ' HB1' ' HG2' ' E' ' 376' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.729 -0.841 . . . . 99.99 108.729 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.234 0.087 . . . . 99.99 111.234 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m 61.51 -77.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.297 1.439 . . . . 99.99 111.242 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -74.61 -12.73 60.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.147 0.979 . . . . 99.99 111.434 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 70.59 18.91 6.32 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.378 1.471 . . . . 99.99 110.314 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -126.84 149.19 49.85 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.654 1.182 . . . . 99.99 108.123 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -87.3 19.01 3.4 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.595 0.758 . . . . 99.99 112.113 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.2 m 58.41 93.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.167 . . . . 99.99 111.076 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -82.28 66.38 7.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.593 0.757 . . . . 99.99 110.024 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.459 ' SD ' ' HG3' ' C' ' 94' ' ' MET . 3.3 mpp? 62.45 157.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.316 1.846 . . . . 99.99 114.34 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -104.58 104.46 14.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.578 -1.192 . . . . 99.99 108.5 174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 -94.51 140.54 29.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.18 0.592 . . . . 99.99 110.958 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.476 HD11 ' H ' ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 82.71 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 83.9 mm-40 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 99.99 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.437 ' HB ' ' ND2' ' A' ' 127' ' ' ASN . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 17.72 108.489 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 9.52 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 51.3 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.799 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' D' ' 117' ' ' MET . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 13.13 106.827 174.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 15.89 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 10.19 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 26.52 107.905 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 43.6 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.543 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 57.64 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 78.76 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.558 ' HZ2' ' HB2' ' C' ' 34' ' ' LYS . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 99.99 110.954 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . 0.432 ' O ' HD23 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.55 ' HB3' ' H ' ' E' ' 298' ' ' HIS . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.404 ' HB3' ' HD3' ' E' ' 294' ' ' LYS . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 72.29 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 99.99 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 99.99 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.441 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 90.89 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' E' ' 282' ' ' ALA . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 55.92 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 78.18 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 57.25 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' C' ' 56' ' ' TYR . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 97.58 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.417 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 43.88 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 30.1 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 99.67 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.441 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' C' ' 110' ' ' ALA . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 31.81 107.752 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.79 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 29.1 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 36.6 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 38.08 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 65.72 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.432 HD23 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 99.99 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 83.21 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 40.89 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 38.89 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 66.65 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 32.91 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 14.84 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.799 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 26.52 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 12.17 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 39.17 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt -142.3 139.67 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.52 119.77 2.7 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.798 -1.186 . . . . 99.99 107.798 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.09 -77.88 0.07 OUTLIER Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.552 -0.619 . . . . 99.99 111.552 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.409 HD11 ' HG ' ' E' ' 277' ' ' LEU . 45.4 mm 62.03 99.72 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.203 1.001 . . . . 99.99 110.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -154.34 31.39 0.43 Allowed 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.153 0.502 . . . . 99.99 111.194 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.58 -110.46 2.99 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.623 -0.717 . . . . 99.99 114.389 168.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 50.8 p -65.47 -40.52 93.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.575 1.15 . . . . 99.99 111.515 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -43.32 99.07 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.729 0.643 . . . . 99.99 109.746 174.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.459 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 26.5 ttt -58.48 -47.5 83.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.8 -0.636 . . . . 99.99 111.076 174.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.35 -25.41 67.58 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.931 0.892 . . . . 99.99 112.48 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -69.83 -58.02 4.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.258 0.623 . . . . 99.99 110.612 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.83 -34.94 78.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.203 0.601 . . . . 99.99 111.618 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 81.7 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 68.22 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.612 ' HB3' HG23 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 85.73 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.447 ' HB3' ' HZ ' ' E' ' 281' ' ' PHE . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 52.77 113.494 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 18.22 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 62.78 112.382 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 20.21 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 17.97 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 10.09 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.44 ' HB3' HG22 ' C' ' 62' ' ' VAL . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 18.56 110.43 174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 31.03 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 26.09 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.409 HG21 HG23 ' C' ' 64' ' ' VAL . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 21.24 111.414 176.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 14.3 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 10.17 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.553 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 12.08 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.416 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 54.79 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' SER . . . . . 0.411 ' OG ' HG22 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 23.93 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 27.3 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.543 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 36.76 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 44.0 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.597 HE22 ' HA ' ' B' ' 119' ' ' SER . 42.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.513 HD12 HG12 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 92.07 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 43.42 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 64.09 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 45.54 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 40.22 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 98.11 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -60.63 -26.5 67.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.21 -28.27 69.25 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.975 0.91 . . . . 99.99 111.579 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -61.36 -23.58 65.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.489 0.716 . . . . 99.99 112.75 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.777 0.831 . . . . 99.99 109.646 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -81.4 -38.48 26.48 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.64 0.776 . . . . 99.99 111.104 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' MET . . . . . 0.508 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 1.4 tmt? -69.03 -45.0 71.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.383 1.073 . . . . 99.99 112.356 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -35.8 80.46 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.585 0.231 . . . . 99.99 110.572 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.2 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.93 1.292 . . . . 99.99 109.542 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 93.3 mt -74.83 96.84 3.17 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . 0.44 ' NE2' ' H ' ' C' ' 142' ' ' GLN . 0.0 OUTLIER -79.79 -179.96 7.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 99.99 111.628 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 70.02 -91.5 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.873 1.269 . . . . 99.99 110.434 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 52.6 42.53 31.51 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.417 1.087 . . . . 99.99 112.76 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 66.73 21.81 10.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.599 1.16 . . . . 99.99 112.377 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -88.02 38.76 3.15 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 116.391 -0.368 . . . . 99.99 112.543 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -83.39 -31.25 26.79 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 123.995 0.918 . . . . 99.99 109.659 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.4 84.99 0.16 Allowed Glycine 0 C--N 1.35 1.327 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' THR . . . . . 0.552 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 12.9 t -171.77 -42.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.768 0.427 . . . . 99.99 109.99 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 142' ' ' GLN . 9.6 tp10 -72.08 -6.96 46.14 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.687 0.795 . . . . 99.99 112.213 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.7 -12.42 46.45 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.15 0.98 . . . . 99.99 111.903 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . 0.424 ' HD2' ' HB2' ' C' ' 154' ' ' ASP . 64.7 t60 83.84 -34.82 0.07 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.748 1.619 . . . . 99.99 112.158 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . 0.527 HE22 ' HB1' ' C' ' 155' ' ' ALA . 0.8 OUTLIER 74.83 -69.44 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.23 1.412 . . . . 99.99 111.035 172.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . 0.424 ' HB2' ' HD2' ' C' ' 152' ' ' HIS . 8.6 t70 80.16 -36.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.1 1.36 . . . . 99.99 113.811 166.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . 0.527 ' HB1' HE22 ' C' ' 153' ' ' GLN . . . . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.614 1.166 . . . . 99.99 111.903 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.412 ' SD ' ' HA2' ' E' ' 211' ' ' GLY . 1.3 tmt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -75.02 -147.05 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.198 0.999 . . . . 99.99 111.276 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -20.13 53.63 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.893 0.477 . . . . 99.99 110.331 168.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.31 80.66 2.4 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.412 0.685 . . . . 99.99 111.297 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -145.43 -74.96 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.37 -0.974 . . . . 99.99 108.37 166.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.33 174.97 0.19 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.965 1.306 . . . . 99.99 113.083 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -127.0 -52.55 1.42 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.101 0.96 . . . . 99.99 108.609 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 58.95 -166.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.149 1.38 . . . . 99.99 112.722 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.458 ' O ' ' HA3' ' E' ' 89' ' ' GLY . 27.2 ttt -32.12 145.95 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.562 1.545 . . . . 99.99 113.816 165.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p -108.76 142.8 38.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.694 0.798 . . . . 99.99 109.413 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 79.57 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 99.99 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 81.0 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 28.79 112.494 -165.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 14.92 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 58.5 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.553 HG23 ' HE1' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 14.63 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 15.53 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 6.05 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 14.28 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 16.78 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 22.87 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.601 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 21.13 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 30.2 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 64.18 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 34.41 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 54.02 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . 0.421 HE22 ' HB2' ' D' ' 124' ' ' PRO . 8.0 tp-100 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.458 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 34.31 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.525 HG12 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 83.42 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 99.99 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 97.22 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 99.99 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 62.54 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 55.71 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 61.91 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.99 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 93.38 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 99.99 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 99.99 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 71.26 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.55 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 36.06 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 79.92 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 22.5 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 23.18 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.525 HG13 HG12 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 24.43 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 32.61 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 25.12 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 49.15 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 32.34 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 33.15 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 19.1 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 12.32 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . 0.458 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 8.66 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 19.44 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.652 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 10.02 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 29.4 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.416 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.7 tp-100 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.3 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 65.32 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 99.99 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 99.99 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.648 ' HB2' HD11 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 99.99 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 99.99 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.632 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 70.12 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 64.46 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.409 ' HE1' HG21 ' E' ' 309' ' ' THR . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 46.86 112.2 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 45.41 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 38.42 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.406 ' ND2' HG22 ' E' ' 71' ' ' ILE . 5.0 t-20 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 87.71 110.277 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 35.35 110.429 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.416 HD11 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 21.86 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 12.38 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 8.42 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . 0.423 ' HH ' ' HD3' ' B' ' 130' ' ' PRO . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 15.0 111.592 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 17.35 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' D' ' 128' ' ' LEU . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 12.17 110.462 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.56 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.652 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 19.17 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 19.58 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 14.23 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.405 ' HG2' HD11 ' C' ' 21' ' ' ILE . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 6.04 111.803 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 19.19 110.465 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 16.36 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 7.12 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 35.79 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.566 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 27.88 112.746 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 17.97 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' E' ' 126' ' ' ALA . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 33.77 109.538 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 99.99 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' D' ' 111' ' ' ARG . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 35.86 109.352 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 48.78 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 48.18 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 95.86 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.26 -53.4 35.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.67 95.67 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.667 0.787 . . . . 99.99 111.353 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' D' ' 139' ' ' ASN . 31.7 tp -76.15 -24.43 54.84 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.316 -0.856 . . . . 99.99 111.279 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -80.04 -46.38 16.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.814 0.445 . . . . 99.99 110.177 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 65.8 mtm -68.04 -20.64 65.01 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 99.99 111.085 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' D' ' 143' ' ' GLN . 4.1 t30 -55.46 -40.62 71.85 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.616 1.167 . . . . 99.99 111.302 169.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -69.95 -38.38 76.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.09 0.556 . . . . 99.99 112.4 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.71 -39.39 80.68 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.29 0.636 . . . . 99.99 111.297 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . 0.409 ' OE1' ' HB3' ' E' ' 117' ' ' LYS . 10.7 pt20 -88.62 3.23 51.3 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.156 -0.929 . . . . 99.99 112.546 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 139' ' ' ASN . 12.0 pt20 -139.72 42.43 1.99 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.423 0.689 . . . . 99.99 109.538 172.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.36 94.75 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -172.39 -38.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.994 . . . . 99.99 109.699 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.94 -69.13 3.13 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 110.517 -1.033 . . . . 99.99 110.517 -171.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 71.74 -74.71 0.08 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.415 1.486 . . . . 99.99 111.851 170.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -163.32 -155.99 8.42 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 81.2 p 48.68 30.27 2.5 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.219 1.407 . . . . 99.99 113.061 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -76.53 158.48 31.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.032 0.933 . . . . 99.99 109.628 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 58.24 43.17 20.7 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.801 . . . . 99.99 108.91 -165.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -61.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 114.041 -1.436 . . . . 99.99 109.858 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 55.81 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.162 1.385 . . . . 99.99 113.75 166.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.17 -32.78 13.57 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.541 1.136 . . . . 99.99 110.783 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 124.066 0.946 . . . . 99.99 110.845 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.666 0.27 . . . . 99.99 110.765 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -119.89 161.11 21.39 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 69.31 160.57 0.2 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.588 1.155 . . . . 99.99 112.155 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' SER . . . . . 0.449 ' HB3' ' HA ' ' E' ' 304' ' ' PRO . 66.2 m -145.54 140.33 27.37 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.551 0.74 . . . . 99.99 110.687 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 16.8 m 56.25 -77.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 126.125 1.77 . . . . 99.99 112.401 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 tt -171.58 137.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.885 1.274 . . . . 99.99 108.633 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 179.96 -159.95 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.811 1.244 . . . . 99.99 108.636 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.576 HD22 ' H ' ' E' ' 8' ' ' LEU . 0.3 OUTLIER -50.89 100.46 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.755 0.822 . . . . 99.99 111.277 172.037 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.07 -54.86 11.24 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.752 -1.113 . . . . 99.99 110.932 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.516 ' HA ' ' HE2' ' B' ' 133' ' ' PHE . 1.5 tt -157.28 117.75 3.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.459 -0.791 . . . . 99.99 109.313 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.486 HD22 ' HD1' ' E' ' 15' ' ' PHE . 8.2 mp -68.79 116.26 39.29 Favored Pre-proline 0 N--CA 1.477 0.875 0 N-CA-C 108.203 -1.036 . . . . 99.99 108.203 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -39.85 81.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.976 3.784 . . . . 99.99 116.275 -163.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 62.08 -10.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.931 1.692 . . . . 99.99 115.278 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp 174.3 141.59 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.185 1.394 . . . . 99.99 107.893 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.486 ' HD1' HD22 ' E' ' 11' ' ' LEU . 41.7 t80 -75.13 153.38 38.28 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 96.6 m -57.37 114.33 8.01 Favored Pre-proline 0 N--CA 1.487 1.406 0 CA-C-O 119.052 -0.499 . . . . 99.99 110.976 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.498 ' HA ' ' HE3' ' B' ' 94' ' ' MET . 80.7 Cg_exo -48.72 106.34 0.11 Allowed 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 124.0 3.133 . . . . 99.99 113.048 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.76 -57.4 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 114.6 -1.182 . . . . 99.99 111.457 -166.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -98.15 31.17 2.83 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.55 1.14 . . . . 99.99 108.045 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.596 ' HZ3' ' HB3' ' E' ' 175' ' ' ASP . 61.8 mttm 55.96 47.1 20.64 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.489 1.115 . . . . 99.99 108.736 -168.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' B' ' 90' ' ' GLU . . . -66.48 82.47 0.09 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 113.076 -1.875 . . . . 99.99 112.164 -170.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.571 ' HG3' HG21 ' E' ' 28' ' ' VAL . 1.1 mpt_? -129.81 137.63 50.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.291 1.436 . . . . 99.99 108.086 173.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.68 122.63 86.42 Favored Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 107.093 -1.447 . . . . 99.99 107.093 168.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.74 121.2 6.2 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.102 2.535 . . . . 99.99 114.264 -164.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 46.5 31.8 1.43 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.236 1.815 . . . . 99.99 113.659 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.5 mtt -94.6 158.47 35.39 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 109.155 -0.683 . . . . 99.99 109.155 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.87 -25.83 78.32 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 123.235 2.623 . . . . 99.99 114.128 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.571 HG21 ' HG3' ' E' ' 22' ' ' ARG . 48.2 t 62.69 78.75 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.773 1.229 . . . . 99.99 110.847 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -143.74 -56.89 0.39 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 106.536 -1.653 . . . . 99.99 106.536 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . 0.476 ' HA ' ' OH ' ' B' ' 140' ' ' TYR . 1.1 pm0 -81.31 -45.87 15.55 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.418 -1.265 . . . . 99.99 111.278 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 59.85 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.934 1.293 . . . . 99.99 112.781 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -141.17 146.01 36.42 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.839 -0.8 . . . . 99.99 108.839 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 74.32 -57.68 0.61 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.347 1.459 . . . . 99.99 109.237 -167.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.24 -85.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.011 1.325 . . . . 99.99 112.445 166.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.97 9.25 5.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.797 0.839 . . . . 99.99 110.93 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -140.96 56.11 0.61 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.201 -0.759 . . . . 99.99 111.201 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 143' ' ' GLN . 25.5 t70 -80.78 159.86 25.03 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.599 0.759 . . . . 99.99 110.833 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 39.4 pt -112.7 32.51 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 113.062 0.764 . . . . 99.99 113.062 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 1.5 p -64.39 -18.68 64.92 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.602 0.593 . . . . 99.99 112.602 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.31 82.47 11.83 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 123.44 0.696 . . . . 99.99 110.013 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -96.33 -4.56 1.64 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.011 2.474 . . . . 99.99 113.507 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.34 -111.83 0.13 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-O 119.297 -0.724 . . . . 99.99 111.611 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -84.63 0.2 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 111.087 -0.805 . . . . 99.99 111.087 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 68.69 -71.85 0.11 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.338 1.455 . . . . 99.99 112.694 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' B' ' 145' ' ' ALA . 64.9 mtm180 -126.05 33.01 5.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.977 0.911 . . . . 99.99 109.624 171.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 63.24 43.53 6.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.698 1.199 . . . . 99.99 111.906 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.16 -42.09 76.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 106.687 -1.597 . . . . 99.99 106.687 163.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 4.0 m 65.59 11.46 7.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 125.251 1.421 . . . . 99.99 111.947 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.05 30.9 72.0 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-O 119.911 -0.383 . . . . 99.99 112.828 -171.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.89 -62.3 1.91 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.796 1.238 . . . . 99.99 111.823 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.14 -49.13 65.91 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.954 -0.566 . . . . 99.99 110.199 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 72.5 p -64.9 -16.8 63.69 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.845 0.858 . . . . 99.99 113.291 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.52 70.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.457 0.703 . . . . 99.99 112.339 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.6 -48.19 0.1 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.206 0.602 . . . . 99.99 111.014 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' E' ' 59' ' ' LEU . 61.7 mt -66.03 96.72 0.33 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.146 0.579 . . . . 99.99 111.197 -174.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -158.44 -154.4 0.43 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.565 1.146 . . . . 99.99 107.943 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 66.59 11.11 7.91 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.195 0.998 . . . . 99.99 110.977 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 35.3 t -168.03 -60.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.478 1.111 . . . . 99.99 108.241 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' E' ' 55' ' ' LEU . 97.3 mt -65.3 -64.27 0.9 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 124.105 0.878 . . . . 99.99 110.032 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.2 m -93.5 103.52 15.71 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.063 0.545 . . . . 99.99 109.745 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -137.47 78.92 1.72 Allowed 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 122.51 1.148 . . . . 99.99 109.553 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.574 ' H ' ' HB3' ' E' ' 317' ' ' SER . 69.2 mmtt -94.92 144.6 28.09 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 114.617 -1.174 . . . . 99.99 111.6 -172.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 99.88 1.31 Allowed 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 123.247 2.631 . . . . 99.99 112.789 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.37 170.91 10.54 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.641 0.776 . . . . 99.99 110.73 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.741 ' HE2' ' HB3' ' E' ' 79' ' ' GLU . 0.0 OUTLIER -77.17 89.56 3.66 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 174.418 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -79.18 76.65 5.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.367 1.08 . . . . 99.99 108.651 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.21 -26.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 113.958 -1.474 . . . . 99.99 110.247 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 mp 76.45 -43.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 125.496 1.519 . . . . 99.99 110.658 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 mt -72.36 83.34 1.06 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.561 0.744 . . . . 99.99 109.968 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.83 100.25 11.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.925 0.49 . . . . 99.99 109.852 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.406 HG22 ' ND2' ' D' ' 104' ' ' ASN . 24.7 mm -108.77 -46.23 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.18 167.22 39.22 Favored Glycine 0 C--N 1.34 0.754 0 N-CA-C 111.351 -0.699 . . . . 99.99 111.351 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.33 91.61 0.24 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.946 -1.502 . . . . 99.99 106.946 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.21 102.43 0.21 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 115.688 1.035 . . . . 99.99 115.688 -164.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.87 31.96 16.05 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.65 1.18 . . . . 99.99 112.735 176.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.27 77.41 1.19 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -101.76 -39.41 7.43 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.93 0.892 . . . . 99.99 109.749 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.0 p -75.02 -32.3 61.57 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.246 0.546 . . . . 99.99 109.574 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.741 ' HB3' ' HE2' ' E' ' 65' ' ' LYS . 42.1 mt-10 -76.87 -24.91 52.58 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.758 1.223 . . . . 99.99 111.498 175.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 34.2 mt 60.45 73.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 125.253 1.421 . . . . 99.99 111.901 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.454 HG21 ' HB2' ' E' ' 65' ' ' LYS . 0.8 OUTLIER -155.71 111.72 3.09 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.953 0.901 . . . . 99.99 109.931 178.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.68 145.06 36.03 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.735 0.814 . . . . 99.99 109.479 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.14 29.41 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.471 0.708 . . . . 99.99 110.617 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 65.46 33.45 8.79 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.353 1.061 . . . . 99.99 110.141 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.25 98.79 4.55 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.651 -0.704 . . . . 99.99 110.61 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -78.63 91.02 4.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.073 0.549 . . . . 99.99 110.194 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.4 35.2 0.07 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.656 0.782 . . . . 99.99 111.288 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.89 91.43 1.18 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.674 -0.491 . . . . 99.99 109.674 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' D' ' 9' ' ' MET . . . 156.94 166.0 15.82 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 116.426 -0.352 . . . . 99.99 113.646 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.57 128.92 17.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.639 0.775 . . . . 99.99 109.76 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.99 147.85 5.08 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 111.698 -0.561 . . . . 99.99 111.698 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -90.0 -120.62 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 116.646 0.223 . . . . 99.99 113.487 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -81.63 95.7 7.27 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.046 0.938 . . . . 99.99 110.991 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -115.6 118.84 34.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.851 0.86 . . . . 99.99 109.645 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -64.86 121.6 14.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.982 -0.747 . . . . 99.99 108.982 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.06 -44.6 0.04 OUTLIER Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.212 -0.449 . . . . 99.99 112.155 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.472 HG21 HD22 ' E' ' 100' ' ' LEU . 30.3 mt -71.79 -73.19 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.482 0.713 . . . . 99.99 110.815 176.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.98 -72.51 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.288 1.435 . . . . 99.99 110.444 -166.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.42 86.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.851 0.86 . . . . 99.99 111.113 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.472 HD22 HG21 ' E' ' 97' ' ' ILE . 0.1 OUTLIER -76.0 113.99 32.9 Favored Pre-proline 0 CA--C 1.561 1.385 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.49 179.57 5.69 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.389 2.059 . . . . 99.99 113.361 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . 0.262 3.1 pp 51.52 17.53 0.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 126.624 1.969 . . . . 99.99 114.667 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 61.6 p -88.37 -27.18 21.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.477 0.711 . . . . 99.99 111.194 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.64 96.3 0.25 Allowed Glycine 0 C--N 1.352 1.432 0 CA-C-O 119.436 -0.647 . . . . 99.99 112.494 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 70.11 148.29 0.07 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.15 1.38 . . . . 99.99 111.407 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -70.01 128.82 37.66 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 5.7 t -54.48 139.41 37.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.643 0.777 . . . . 99.99 112.326 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -63.82 -18.68 64.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.982 0.913 . . . . 99.99 112.079 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.22 -37.2 86.63 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 99.99 110.425 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.15 8.07 3.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.014 1.326 . . . . 99.99 114.035 171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 21.0 tp 60.34 20.89 10.43 Favored 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 125.572 1.549 . . . . 99.99 112.129 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -118.72 -175.36 2.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.547 0.739 . . . . 99.99 109.028 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' E' ' 113' ' ' LYS . 11.3 mmpt? 70.33 99.4 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.77 1.228 . . . . 99.99 111.06 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -120.94 62.76 0.87 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 87.4 m -63.86 -43.25 96.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.122 0.969 . . . . 99.99 112.133 -173.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -164.77 34.39 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.374 -0.681 . . . . 99.99 112.096 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' D' ' 142' ' ' GLN 0.303 56.5 mmtt 93.68 -73.94 0.0 OUTLIER Pre-proline 0 CA--C 1.574 1.897 0 C-N-CA 127.112 2.165 . . . . 99.99 113.36 -177.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.75 -19.83 3.97 Favored 'Trans proline' 0 C--N 1.392 2.827 0 CA-C-N 123.459 2.271 . . . . 99.99 113.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 62.98 111.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.258 1.023 . . . . 99.99 111.249 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -149.86 145.31 26.48 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 109.385 -0.598 . . . . 99.99 109.385 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 91.3 t 68.32 92.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.834 1.254 . . . . 99.99 110.297 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 33.5 p -126.06 162.58 24.97 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.985 0.914 . . . . 99.99 109.629 173.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.63 97.88 0.83 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.549 0.739 . . . . 99.99 110.031 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 31.8 p -149.78 138.05 20.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.63 0.772 . . . . 99.99 109.417 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.72 -171.44 0.18 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.688 1.195 . . . . 99.99 111.421 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' D' ' 126' ' ' LEU . . . 62.02 76.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.879 0.872 . . . . 99.99 111.714 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 37.3 p -148.64 17.76 1.02 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.369 0.667 . . . . 99.99 111.522 -177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.8 93.46 2.62 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.142 0.577 . . . . 99.95 109.75 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.566 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 21.6 p -70.11 136.11 49.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.417 0.687 . . . . 99.99 112.427 -174.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.85 148.32 29.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.731 1.212 . . . . 99.99 109.241 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -155.6 179.29 9.33 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.245 0.618 . . . . 99.99 110.187 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 22.9 t -116.41 120.13 37.84 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.939 0.896 . . . . 99.99 109.63 172.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 13.1 t -70.0 150.52 46.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.428 -0.582 . . . . 99.99 109.428 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.9 161.85 27.66 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 123.368 0.418 . . . . 99.66 113.389 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.422 HG13 ' HB ' ' C' ' 13' ' ' ILE . 2.3 m -85.29 -8.11 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.064 0.545 . . . . 99.99 110.847 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.7 tttt 75.13 -73.71 0.09 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 125.496 1.518 . . . . 99.99 110.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 13.3 t -173.34 175.68 3.04 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.637 1.175 . . . . 99.99 108.185 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -78.24 -68.69 0.61 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 68.4 8.4 6.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.472 1.109 . . . . 99.99 111.434 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.15 27.82 2.63 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 111.836 -0.506 . . . . 99.99 111.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.71 -150.03 0.42 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.491 1.116 . . . . 99.99 112.546 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 51.6 tp 73.92 -69.33 0.19 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.511 1.524 . . . . 99.99 109.54 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.64 136.73 13.44 Favored Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.137 -1.185 . . . . 99.99 110.137 168.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 13.4 m -66.86 95.86 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.751 0.786 . . . . 99.99 111.649 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.1 159.23 16.23 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.409 -0.814 . . . . 99.99 110.534 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 5.7 tp -159.58 96.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 122.105 0.955 . . . . 99.99 109.023 169.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -131.53 95.39 3.73 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.221 -1.4 . . . . 99.99 107.221 169.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.9 157.53 34.74 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 115.225 -0.898 . . . . 99.99 109.706 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -64.76 128.65 36.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.105 0.478 . . . . 99.99 110.135 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.01 146.51 49.35 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' E' ' 152' ' ' PRO . 89.1 m-70 -59.41 109.98 2.36 Favored Pre-proline 0 N--CA 1.48 1.049 0 O-C-N 123.886 0.741 . . . . 99.99 111.155 -175.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' E' ' 151' ' ' HIS . 4.3 Cg_exo -77.27 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.041 2.494 . . . . 99.99 112.316 -175.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 10.1 t -71.27 -161.51 0.06 Allowed 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 115.217 -0.902 . . . . 99.99 109.809 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . 0.512 HG13 ' H ' ' E' ' 155' ' ' LEU . 12.0 pt -49.75 -59.12 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.87 0.759 . . . . 99.99 112.201 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.512 ' H ' HG13 ' E' ' 154' ' ' ILE . 1.1 tt -122.59 -66.02 1.06 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.626 -0.879 . . . . 99.99 108.626 169.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -177.88 6.91 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.618 0.767 . . . . 99.99 109.796 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.406 ' H ' ' HB3' ' E' ' 429' ' ' GLU . 51.7 ttm -152.84 83.14 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.945 -0.761 . . . . 99.99 108.945 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' E' ' 433' ' ' GLU . . . -80.97 88.14 5.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.524 -0.762 . . . . 99.99 109.436 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.8 -28.23 40.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.659 -1.155 . . . . 99.99 111.248 -172.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.2 -51.98 5.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -85.31 80.94 8.98 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.067 0.947 . . . . 99.99 110.991 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -174.55 -47.13 0.05 OUTLIER Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.623 -0.717 . . . . 99.99 111.356 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -58.27 6.07 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 72.16 140.74 0.06 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.056 1.343 . . . . 99.99 112.507 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 165' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 70' ' ' GLU . 43.5 p 58.49 164.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.517 1.927 . . . . 99.99 114.01 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -139.32 -11.28 0.78 Allowed Glycine 0 N--CA 1.467 0.764 0 CA-C-N 114.307 -1.315 . . . . 99.99 110.838 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -60.58 114.42 2.97 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.299 1.039 . . . . 99.99 109.277 167.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 6.1 p -155.24 -50.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 99.99 111.469 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m -74.57 -75.93 0.15 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.231 0.613 . . . . 99.99 111.022 -171.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 9.9 t -172.11 155.89 3.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.853 0.861 . . . . 99.99 110.243 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -150.79 11.44 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.372 1.069 . . . . 99.99 109.881 173.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.52 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 126.321 1.849 . . . . 99.99 113.246 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.67 -112.36 0.21 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -134.04 84.44 2.12 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.034 0.834 . . . . 99.99 110.952 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . 0.596 ' HB3' ' HZ3' ' E' ' 20' ' ' LYS . 9.7 t70 -89.98 -179.6 5.74 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 169.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.42 -109.64 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 117.987 -1.006 . . . . 99.99 109.731 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.9 m 66.42 144.27 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.041 0 C-N-CA 123.881 0.872 . . . . 99.99 112.233 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.96 -175.76 0.23 Allowed 'Trans proline' 0 C--N 1.388 2.633 0 C-N-CA 122.25 1.967 . . . . 99.99 112.745 167.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -61.45 -56.42 20.32 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.22 0.608 . . . . 99.99 111.552 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.44 16.59 5.29 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.104 1.361 . . . . 99.99 113.623 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.8 pp -94.01 158.81 15.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.497 0.719 . . . . 99.99 112.269 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.57 151.7 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 124.092 0.957 . . . . 99.99 110.052 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.92 -65.1 0.33 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.352 1.461 . . . . 99.99 114.003 166.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.53 -73.38 0.07 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.367 1.067 . . . . 99.99 112.078 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 55.1 t 54.43 -78.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 125.075 1.35 . . . . 99.99 111.133 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 30.2 m 66.34 94.19 0.07 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.974 1.31 . . . . 99.99 112.266 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 45.4 p -85.39 48.8 1.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.825 1.25 . . . . 99.99 109.354 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 61.54 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.474 1.51 . . . . 99.99 109.587 -163.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.47 135.11 0.53 Allowed 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.251 1.42 . . . . 99.99 108.141 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 64.4 m 74.57 -57.34 0.61 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.642 1.577 . . . . 99.99 112.415 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 76.4 t80 72.81 -65.05 0.37 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.428 1.491 . . . . 99.99 111.023 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -67.74 112.65 4.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 119.119 -0.823 . . . . 99.99 111.839 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.18 89.19 1.19 Allowed 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.944 2.429 . . . . 99.99 111.77 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.2 p -73.67 83.88 1.59 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.431 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . 0.631 ' HA ' HD13 ' E' ' 213' ' ' ILE . . . -88.67 -6.68 57.31 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.054 0.942 . . . . 99.99 112.233 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.3 m 69.33 -74.02 0.08 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.005 1.322 . . . . 99.99 110.621 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 p -166.21 -22.74 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.122 0.969 . . . . 99.99 110.514 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 71.26 -72.14 0.12 Allowed 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.231 1.412 . . . . 99.99 110.39 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.42 ' H ' HD11 ' E' ' 205' ' ' LEU . 63.6 tttp -135.01 -176.11 4.14 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.099 -1.445 . . . . 99.99 107.099 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.411 ' N ' ' HG2' ' E' ' 199' ' ' LYS . 21.1 p -56.73 116.5 13.3 Favored Pre-proline 0 CA--C 1.555 1.171 0 N-CA-C 109.342 -0.614 . . . . 99.99 109.342 165.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.54 46.59 2.05 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 123.013 2.475 . . . . 99.99 113.561 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -72.81 -107.37 0.06 OUTLIER Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.341 -0.391 . . . . 99.99 112.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.46 92.58 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 117.323 0.562 . . . . 99.99 110.883 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 62.84 20.35 12.12 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.737 1.215 . . . . 99.99 113.371 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . 0.42 HD11 ' H ' ' E' ' 199' ' ' LYS . 42.9 tp 58.35 83.35 0.12 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.942 0.897 . . . . 99.99 108.786 -172.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . 0.283 12.6 pt-20 52.96 -68.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.557 1.943 . . . . 99.99 112.242 -160.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -171.11 27.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.946 0.879 . . . . 99.99 108.901 171.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.19 -71.48 0.25 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.837 -1.074 . . . . 99.99 111.987 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 167.12 -155.59 26.79 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 111.145 -0.782 . . . . 99.99 111.145 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -150.06 -58.53 0.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.83 0.815 . . . . 99.99 111.029 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . 0.412 ' HA2' ' SD ' ' D' ' 1' ' ' MET . . . 165.84 -95.87 0.12 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.784 -0.453 . . . . 99.99 113.686 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.2 m 67.11 -71.34 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.75 1.62 . . . . 99.99 112.028 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.631 HD13 ' HA ' ' E' ' 195' ' ' ALA . 54.3 mt -72.93 109.19 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 124.494 1.118 . . . . 99.99 110.864 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.3 m -132.94 -25.58 1.81 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.716 0.806 . . . . 99.99 110.323 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.9 -9.21 52.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.289 1.036 . . . . 99.99 111.857 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -51.5 -26.39 8.26 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.811 1.041 . . . . 99.99 113.811 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 4.6 tt -89.09 -53.85 4.39 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 58.7 tp 58.93 78.2 0.27 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.533 1.133 . . . . 99.99 110.7 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 5.8 t30 69.46 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.665 1.186 . . . . 99.99 112.517 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -66.95 95.87 0.4 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.382 0.61 . . . . 99.99 110.443 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.16 -169.15 1.81 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.34 1.056 . . . . 99.99 111.679 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 59.23 39.7 22.38 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.71 1.204 . . . . 99.99 111.38 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.82 112.13 2.42 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.669 0.788 . . . . 99.99 110.704 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 84.8 t -118.25 123.8 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.188 -1.041 . . . . 99.99 108.188 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 52.8 p -78.03 80.24 4.47 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.181 0.592 . . . . 99.99 110.323 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.31 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.564 1.546 . . . . 99.99 109.932 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.2 20.26 72.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-O 119.9 -0.389 . . . . 99.99 113.097 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -73.22 90.47 0.61 Allowed Glycine 0 C--N 1.351 1.368 0 O-C-N 123.863 0.39 . . . . 99.99 112.92 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -85.09 -179.66 50.95 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-O 121.462 0.479 . . . . 99.99 114.036 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -96.12 -48.72 5.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.801 0.841 . . . . 99.99 111.377 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt 58.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.013 1.325 . . . . 99.99 110.706 -170.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 232' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' E' ' 235' ' ' GLU . 68.3 p -69.97 -18.24 63.33 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.2 1.0 . . . . 99.99 112.19 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 69.94 -69.46 0.17 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.656 1.582 . . . . 99.99 111.13 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.18 47.25 2.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.887 0.875 . . . . 99.99 109.153 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' E' ' 232' ' ' THR . 4.1 mp0 56.32 60.5 3.13 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.512 1.125 . . . . 99.99 111.596 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 8.5 m 71.38 -0.41 3.13 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.146 1.378 . . . . 99.99 111.996 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 65.89 123.35 0.02 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.26 1.424 . . . . 99.99 112.072 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 238' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' E' ' 241' ' ' GLU . 23.4 m 77.46 -46.59 0.48 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.698 1.599 . . . . 99.99 112.342 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -61.81 -19.84 62.97 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.575 0.954 . . . . 99.99 113.575 -176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -73.93 -7.14 75.14 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 119.647 -0.529 . . . . 99.99 114.383 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' E' ' 402' ' ' ASP . 10.5 pt-20 -88.22 -15.6 35.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 117.546 0.673 . . . . 99.99 110.615 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 61.41 87.59 0.09 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.64 1.576 . . . . 99.99 111.23 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -82.66 74.39 9.63 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.409 0.684 . . . . 99.99 110.801 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.71 -45.38 3.69 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 110.734 -0.946 . . . . 99.99 110.734 172.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.649 ' H ' ' HB1' ' E' ' 405' ' ' ALA . 52.8 mtpt 56.57 24.03 8.3 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.837 1.655 . . . . 99.99 112.615 177.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 2.5 t -100.99 -55.87 2.46 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.645 0.778 . . . . 99.99 111.037 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.37 -38.09 81.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.094 0.558 . . . . 99.99 111.959 -171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' E' ' 404' ' ' LYS . 15.4 tpt180 -58.15 -51.85 68.02 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 123.648 0.592 . . . . 99.99 111.379 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.83 -52.04 7.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.884 0.474 . . . . 99.99 112.031 -173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -75.51 -26.38 58.04 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.021 0.749 . . . . 99.99 113.021 -165.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -77.15 -15.92 59.34 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 111.887 0.329 . . . . 99.99 111.887 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -69.32 -13.49 62.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.516 0.726 . . . . 99.99 112.047 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -55.24 -56.31 21.47 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.398 0.679 . . . . 99.99 111.198 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 63.04 152.53 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 125.031 1.332 . . . . 99.99 113.114 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 66.16 56.4 14.24 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 112.263 -0.335 . . . . 99.99 112.263 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -58.47 -40.87 83.86 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.572 0.749 . . . . 99.99 111.566 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 63.05 -76.85 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.528 1.531 . . . . 99.99 111.545 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 55.73 -82.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.279 1.432 . . . . 99.99 112.292 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . 0.523 HG12 ' HB1' ' E' ' 262' ' ' ALA . 41.1 t -71.51 -42.0 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.636 0.775 . . . . 99.99 110.75 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 16.5 t 74.44 -57.59 0.61 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.722 1.609 . . . . 99.99 111.496 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.38 116.56 5.29 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.39 0.676 . . . . 99.99 110.64 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . 0.523 ' HB1' HG12 ' E' ' 259' ' ' VAL . . . -92.36 -0.71 57.36 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.541 1.136 . . . . 99.99 113.156 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -58.56 -64.43 0.93 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -166.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 73.2 m -161.62 -35.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.164 0.986 . . . . 99.99 110.302 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 91.2 mt 65.11 -80.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 99.99 111.442 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -136.71 -4.08 2.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.786 0.834 . . . . 99.99 111.209 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 26.7 m 55.33 -96.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.341 1.456 . . . . 99.99 112.999 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.1 p -176.24 -28.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.794 0.838 . . . . 99.99 110.974 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 28.2 m 65.03 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.95 1.3 . . . . 99.99 109.955 -166.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . 0.572 ' HB2' ' HG2' ' E' ' 273' ' ' GLN . 7.9 pt-20 -138.56 112.65 8.58 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.543 0.737 . . . . 99.99 110.239 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -88.55 -54.11 4.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.254 -0.885 . . . . 99.99 109.523 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -36.68 6.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.644 0.778 . . . . 99.99 111.864 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.572 ' HG2' ' HB2' ' E' ' 270' ' ' GLU . 24.2 mm-40 61.71 -98.26 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 99.99 111.617 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -131.08 14.36 5.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.254 0.622 . . . . 99.99 111.807 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -49.76 131.89 20.86 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 123.345 0.658 . . . . 99.99 111.856 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -79.66 34.37 0.53 Allowed 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 123.396 2.73 . . . . 99.99 113.14 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.479 HD21 ' N ' ' E' ' 278' ' ' LEU . 3.5 tt -72.16 144.03 48.71 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.834 -1.173 . . . . 99.99 107.834 169.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.479 ' N ' HD21 ' E' ' 277' ' ' LEU . 3.2 tm? 80.04 101.35 0.06 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.358 1.463 . . . . 99.99 109.498 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -124.49 135.87 9.77 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 110.793 -0.923 . . . . 99.99 110.793 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 95.9 mt 63.24 -178.41 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.14 0.976 . . . . 99.99 111.152 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.447 ' HZ ' ' HB3' ' C' ' 103' ' ' PRO . 9.2 t80 61.87 26.59 16.12 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.49 1.116 . . . . 99.99 111.467 172.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' C' ' 47' ' ' ALA . . . -142.58 20.33 2.02 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.586 -0.696 . . . . 99.99 111.288 -175.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -171.03 -39.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.213 0.605 . . . . 99.99 110.162 -168.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -78.27 -178.88 50.05 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 123.536 0.522 . . . . 99.99 113.258 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -139.82 156.15 46.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.283 0.633 . . . . 99.99 109.592 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 24.1 mmt -96.12 111.57 56.81 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 123.374 0.67 . . . . 99.99 109.196 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.39 82.91 1.32 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 121.868 1.712 . . . . 99.99 110.126 166.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.46 -47.21 30.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 C-N-CA 124.003 0.921 . . . . 99.99 110.409 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 65.79 128.19 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.928 1.291 . . . . 99.99 110.049 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -62.16 126.55 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.142 0.577 . . . . 99.99 111.696 -174.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.97 -177.11 47.82 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.92 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.646 2.897 . . . . 99.99 111.479 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.404 ' HD3' ' HB3' ' C' ' 37' ' ' GLN . 65.4 mttm -63.72 126.36 27.34 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.675 -0.491 . . . . 99.99 109.675 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -137.11 169.04 18.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.086 0.554 . . . . 99.99 110.106 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 4.7 m 72.46 163.46 0.27 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.994 1.318 . . . . 99.99 110.364 -172.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 66.74 -164.42 0.23 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.003 0.921 . . . . 99.99 110.939 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . 0.55 ' H ' ' HB3' ' C' ' 36' ' ' TRP . 56.7 t-80 75.17 0.72 3.57 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.473 1.109 . . . . 99.99 111.621 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -94.2 145.58 17.74 Favored Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.473 -0.651 . . . . 99.99 111.473 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.32 98.22 3.19 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.553 0.741 . . . . 99.99 110.768 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.42 93.5 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -87.88 146.02 25.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.261 0.624 . . . . 99.99 110.567 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 131.93 51.85 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 123.611 0.764 . . . . 99.99 110.818 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' E' ' 4' ' ' SER . 24.0 Cg_exo -68.56 176.55 5.68 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.367 2.045 . . . . 99.99 112.583 162.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -146.44 10.79 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.601 0.76 . . . . 99.99 110.805 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' B' ' 131' ' ' VAL . 23.9 m -80.12 108.65 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-O 121.612 0.72 . . . . 99.99 111.885 -170.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 37.3 m -138.16 112.29 8.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.165 0.986 . . . . 99.99 109.174 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 92.9 m -150.43 102.6 3.06 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.76 0.824 . . . . 99.99 109.598 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 309' ' ' THR . . . . . 0.409 HG21 ' HE1' ' D' ' 101' ' ' TYR . 1.7 p -157.67 144.89 13.48 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.078 1.351 . . . . 99.99 109.09 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -95.65 171.66 1.22 Allowed 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 123.004 2.469 . . . . 99.99 113.368 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . 0.451 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 35.6 t-20 -102.0 -50.24 0.17 Allowed Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 114.246 -1.343 . . . . 99.99 112.722 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.451 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 19.6 Cg_endo -54.63 111.69 0.8 Allowed 'Trans proline' 0 C--N 1.402 3.385 0 C-N-CA 122.803 2.336 . . . . 99.99 114.115 -171.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -130.79 174.41 9.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.713 1.205 . . . . 99.99 109.686 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 64.25 8.59 4.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 124.174 0.99 . . . . 99.99 113.471 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -77.96 92.92 4.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.305 -0.998 . . . . 99.99 108.305 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.89 125.05 28.65 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.54 -0.541 . . . . 99.99 109.54 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 317' ' ' SER . . . . . 0.574 ' HB3' ' H ' ' E' ' 62' ' ' LYS . 71.1 m -142.47 104.02 4.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.964 0.905 . . . . 99.99 108.79 177.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' E' ' 319' ' ' PRO . 10.6 m -105.2 107.59 59.32 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.553 0.741 . . . . 99.99 109.451 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' E' ' 318' ' ' VAL . 14.5 Cg_exo -68.16 82.39 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.674 2.916 . . . . 99.99 112.8 -174.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 16.8 p -144.7 -29.26 0.47 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.299 1.04 . . . . 99.99 110.613 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.71 -81.79 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.933 0.493 . . . . 99.99 110.354 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -90.18 -5.36 56.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.015 0.526 . . . . 99.99 111.538 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' E' ' 323' ' ' GLN . 0.0 OUTLIER -62.2 -69.79 0.23 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 165.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.6 -62.1 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.689 1.868 . . . . 99.99 114.399 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.0 m 78.93 58.05 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.2 1.8 . . . . 99.99 107.69 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.645 ' HA ' ' HA ' ' E' ' 331' ' ' LEU . 15.4 p-10 -112.33 44.91 1.36 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.619 1.568 . . . . 99.99 110.196 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.451 ' HD3' HG13 ' E' ' 388' ' ' VAL . 3.2 mptp? -105.93 -45.11 4.44 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 112.837 0.68 . . . . 99.99 112.837 -167.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.732 ' HB2' ' HA ' ' E' ' 332' ' ' LEU . . . -75.9 -83.39 0.06 Allowed 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 118.312 -0.851 . . . . 99.99 113.26 -166.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' E' ' 339' ' ' PHE . 3.2 mp -94.39 -77.19 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.322 1.419 . . . . 99.99 109.569 176.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -97.07 -64.52 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.369 -1.715 . . . . 99.99 106.369 156.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.645 ' HA ' ' HA ' ' E' ' 326' ' ' ASP . 3.2 mm? -97.43 -68.32 0.81 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 114.582 -1.19 . . . . 99.99 110.695 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.732 ' HA ' ' HB2' ' E' ' 328' ' ' ALA . 59.7 tp -170.43 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 CA-C-N 114.72 -1.127 . . . . 99.99 109.278 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 38.6 t 61.03 91.99 0.05 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.913 1.285 . . . . 99.99 110.295 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 97.29 0.13 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -142.08 133.16 26.08 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.149 0.98 . . . . 99.99 108.367 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.8 123.46 22.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 66.75 24.26 9.95 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.303 1.041 . . . . 99.99 110.256 -173.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -73.84 -170.36 21.3 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.745 -0.661 . . . . 99.99 113.333 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' E' ' 329' ' ' ILE . 54.4 t80 69.34 177.99 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.828 1.251 . . . . 99.99 109.66 -175.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -78.54 3.32 16.39 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.464 0.705 . . . . 99.99 111.361 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 62.0 tp 67.48 -73.47 0.08 Allowed 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.756 1.622 . . . . 99.99 110.084 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -150.74 110.57 4.07 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.47 126.58 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.09 157.12 29.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.74 0.816 . . . . 99.99 111.409 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -92.24 41.76 2.77 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 116.067 -0.515 . . . . 99.99 112.781 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.59 69.46 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.463 0.649 . . . . 99.99 111.039 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 10.6 t -113.55 138.7 49.77 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 106.755 -1.572 . . . . 99.99 106.755 172.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 8.4 tt -68.85 152.86 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-N 118.634 0.652 . . . . 99.99 109.571 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -55.83 152.08 10.4 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.747 1.219 . . . . 99.99 113.184 -173.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.3 tttt 68.79 -76.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.17 1.388 . . . . 99.99 112.711 170.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -136.3 130.9 33.66 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.018 0.927 . . . . 99.99 108.697 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -110.41 -53.66 2.66 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.004 0.922 . . . . 99.99 110.818 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -99.34 -38.47 8.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.891 0.477 . . . . 99.99 109.742 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 54.53 -87.74 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.366 1.467 . . . . 99.99 112.678 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 54.92 83.76 0.08 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.191 1.396 . . . . 99.99 112.685 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -97.42 -33.71 0.26 Allowed Pre-proline 0 CA--C 1.571 1.782 0 N-CA-C 114.592 1.33 . . . . 99.99 114.592 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.92 21.88 0.91 Allowed 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 122.658 1.985 . . . . 99.99 113.299 -173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 55.9 m -72.41 -8.62 55.96 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.989 0.916 . . . . 99.99 112.139 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -61.38 -27.25 67.44 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 122.814 0.245 . . . . 99.99 112.981 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 62.06 -87.55 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.323 1.449 . . . . 99.99 111.984 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 9.6 tt -95.17 -38.29 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.241 1.016 . . . . 99.99 109.905 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 74.0 -75.46 1.11 Allowed Glycine 0 C--N 1.35 1.337 0 CA-C-N 115.929 -0.578 . . . . 99.99 111.753 -172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 63.14 123.03 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.789 1.635 . . . . 99.99 112.571 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.6 m 62.49 19.52 11.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 124.587 1.155 . . . . 99.99 109.53 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.17 136.95 22.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 C-N-CA 124.074 0.949 . . . . 99.99 108.703 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.28 127.82 34.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.24 -39.51 90.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.658 0.783 . . . . 99.99 110.267 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.96 -37.19 78.67 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.822 0.701 . . . . 99.99 110.966 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 1.0 OUTLIER -70.15 -40.52 74.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.423 0.689 . . . . 99.99 109.353 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.73 60.37 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.714 -0.675 . . . . 99.99 111.653 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 6.9 p -77.89 -31.46 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.591 0.356 . . . . 99.99 110.75 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' E' ' 369' ' ' GLU . 5.4 pp0? -70.64 -19.77 62.78 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 119.225 -0.417 . . . . 99.99 110.55 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.782 ' HA ' ' HB3' ' E' ' 376' ' ' GLU . 90.4 mtt-85 -65.53 -24.46 67.13 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 123.772 0.67 . . . . 99.99 112.283 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 83.01 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.144 0.497 . . . . 99.99 110.301 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 89.9 mt -86.36 -26.74 24.66 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.944 0.898 . . . . 99.99 112.087 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . 0.782 ' HB3' ' HA ' ' E' ' 373' ' ' ARG . 1.7 tm-20 -70.83 -57.45 4.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.736 0.815 . . . . 99.99 110.063 -173.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -57.71 -35.57 70.82 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.147 0.904 . . . . 99.99 111.94 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.04 -59.11 3.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.56 0.744 . . . . 99.99 110.941 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -76.01 -14.44 60.22 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 114.846 -1.07 . . . . 99.99 111.635 -174.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -54.65 -41.08 69.68 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.505 1.122 . . . . 99.99 111.136 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 73.88 -64.94 0.37 Allowed 'General case' 0 C--O 1.245 0.829 0 O-C-N 125.395 1.685 . . . . 99.99 110.397 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 81.74 17.05 71.4 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.333 0.396 . . . . 99.99 112.705 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -139.22 136.66 35.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.11 0.964 . . . . 99.99 109.977 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 96.3 m -66.58 -27.88 68.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 124.385 1.074 . . . . 99.99 110.416 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.0 mt 73.83 -71.6 0.13 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.799 1.639 . . . . 99.99 111.174 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.06 137.81 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.948 0.499 . . . . 99.99 110.652 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' E' ' 327' ' ' LYS . 31.8 pt -109.94 133.15 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.193 0.597 . . . . 99.99 109.812 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . 0.451 HG13 ' HD3' ' E' ' 327' ' ' LYS . 7.5 p -86.71 110.67 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.257 0.551 . . . . 99.99 109.909 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 36.7 m -142.79 107.34 4.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.806 0.842 . . . . 99.99 108.765 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -158.72 105.19 1.8 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -143.89 155.09 43.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 -172.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -124.81 7.83 8.13 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.152 0.581 . . . . 99.99 112.244 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -135.21 102.0 5.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.717 0.807 . . . . 99.99 110.327 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -87.62 -27.44 22.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.762 0.825 . . . . 99.99 110.583 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.59 -176.63 5.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.505 1.122 . . . . 99.99 110.367 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.0 m -122.1 -84.66 0.66 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.847 0.459 . . . . 99.99 109.815 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' E' ' 402' ' ' ASP . 23.9 mp0 53.8 -157.56 0.18 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 124.088 0.955 . . . . 99.99 110.982 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' E' ' 403' ' ' THR . 56.4 mt 70.17 157.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 C-N-CA 123.522 0.729 . . . . 99.99 112.01 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.403 HG22 ' O ' ' E' ' 398' ' ' ILE 0.283 3.2 m 74.6 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.557 0 C-N-CA 127.796 2.438 . . . . 99.99 114.061 174.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.469 ' HB1' ' HD3' ' E' ' 401' ' ' PRO . . . -161.93 -53.33 0.01 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-O 118.309 -0.853 . . . . 99.99 111.373 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.469 ' HD3' ' HB1' ' E' ' 400' ' ' ALA . 5.7 Cg_exo -79.24 127.12 7.32 Favored 'Trans proline' 0 C--N 1.395 2.976 0 CA-C-N 121.012 1.397 . . . . 99.99 111.199 175.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . 0.57 ' HB2' ' HG3' ' E' ' 397' ' ' GLN . 50.8 m-20 47.81 75.63 0.13 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.402 1.481 . . . . 99.99 113.151 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 403' ' ' THR . . . . . 0.535 HG22 ' HG3' ' E' ' 404' ' ' LYS . 9.3 t -160.8 -150.98 0.22 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 105.758 -1.942 . . . . 99.99 105.758 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.627 ' HB3' ' HD3' ' E' ' 248' ' ' ARG . 85.7 mttt 80.39 -42.88 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.764 1.226 . . . . 99.99 111.384 170.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . 0.649 ' HB1' ' H ' ' E' ' 245' ' ' LYS . . . -56.33 -43.34 99.25 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.261 1.024 . . . . 99.99 112.208 170.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -95.38 174.63 1.06 Allowed 'Trans proline' 0 C--N 1.388 2.607 0 C-N-CA 122.665 2.243 . . . . 99.99 112.196 163.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 163.84 41.43 0.02 OUTLIER Glycine 0 C--N 1.349 1.282 0 CA-C-O 119.553 -0.582 . . . . 99.99 113.718 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' B' ' 3' ' ' GLU . 8.0 mp 70.77 -66.73 0.28 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.122 1.769 . . . . 99.99 112.626 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 67.88 20.8 9.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.225 1.41 . . . . 99.99 110.737 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -75.66 80.83 2.63 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.833 0.853 . . . . 99.99 109.932 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.09 14.04 5.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.008 1.323 . . . . 99.99 113.274 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.29 -83.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.918 0.887 . . . . 99.99 111.65 -170.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -162.38 125.06 2.85 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.709 -0.848 . . . . 99.99 108.709 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.9 t -164.26 176.15 9.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.784 0.834 . . . . 99.99 109.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -83.48 130.43 35.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.659 0.784 . . . . 99.99 109.151 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.65 -45.0 31.65 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.564 -0.532 . . . . 99.99 109.564 172.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 59.68 22.33 56.7 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 123.708 0.63 . . . . 99.99 114.212 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.59 126.5 35.31 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.657 0.783 . . . . 99.99 109.814 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . 0.491 HG13 ' H ' ' E' ' 422' ' ' MET . 56.4 t 75.76 -35.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 125.149 1.38 . . . . 99.99 112.74 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.9 mtt 59.72 41.12 18.91 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.706 1.202 . . . . 99.99 112.208 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 19.2 t 58.82 45.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.347 0 CA-C-O 122.336 1.065 . . . . 99.99 109.478 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 422' ' ' MET . . . . . 0.491 ' H ' HG13 ' E' ' 419' ' ' VAL . 42.0 ttm 65.4 22.48 11.96 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.624 1.57 . . . . 99.99 112.449 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 14.9 m -95.66 49.28 1.17 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.738 0.78 . . . . 99.99 108.945 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -156.48 146.53 21.19 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.699 -1.137 . . . . 99.99 109.209 -165.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 87.38 -48.28 3.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.371 -0.377 . . . . 99.99 112.237 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -84.93 155.73 21.52 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.858 0.863 . . . . 99.99 109.465 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.9 m 63.06 23.71 14.12 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.476 1.111 . . . . 99.99 111.32 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -81.78 87.45 6.34 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.537 -1.283 . . . . 99.99 107.537 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . 0.406 ' HB3' ' H ' ' E' ' 157' ' ' MET . 47.9 mm-40 -90.62 -0.98 57.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.134 -1.394 . . . . 99.99 112.82 -171.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -73.97 -42.3 60.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.908 0.483 . . . . 99.99 109.91 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 82.8 p -67.03 -37.59 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.005 0.922 . . . . 99.99 110.754 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -33.02 74.92 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.112 . . . . 99.99 109.965 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' E' ' 158' ' ' ALA . 3.6 tm-20 -63.85 -42.81 97.49 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.802 0.841 . . . . 99.99 109.885 172.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -77.53 74.75 4.09 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 122.855 0.462 . . . . 99.99 110.393 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 14.8 p -70.26 99.15 1.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.565 0.746 . . . . 99.99 110.468 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . 0.611 ' HA2' ' HA ' ' E' ' 465' ' ' LYS . . . 66.32 37.68 93.04 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.505 -0.77 . . . . 99.99 112.933 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 437' ' ' SER . . . . . 0.58 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 70.3 m 63.18 19.79 11.88 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.285 1.034 . . . . 99.99 112.357 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.29 -78.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.259 1.424 . . . . 99.99 110.617 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.95 -21.8 61.55 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.963 0.905 . . . . 99.99 111.927 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 80.25 -43.17 0.24 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.342 1.457 . . . . 99.99 112.293 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.3 mp 77.27 -33.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 125.199 1.4 . . . . 99.99 111.58 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -63.35 94.22 0.08 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.414 0.686 . . . . 99.99 111.414 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -90.45 5.83 45.94 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.574 1.15 . . . . 99.99 112.668 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 62.13 -160.98 0.3 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.609 1.164 . . . . 99.99 112.416 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -151.02 -175.93 23.4 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 119.823 -0.431 . . . . 99.99 113.299 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.94 144.64 83.45 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.229 2.619 . . . . 99.99 112.306 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -76.72 -24.99 53.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.284 0.634 . . . . 99.99 110.488 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -69.26 93.95 0.66 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.302 0.641 . . . . 99.99 110.222 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . 0.465 ' HB2' ' HA3' ' E' ' 453' ' ' GLY . . . -154.2 166.23 33.77 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.046 0.938 . . . . 99.99 109.941 -174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -135.4 115.93 13.72 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.993 0.517 . . . . 99.99 110.628 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 69.6 t 59.44 -80.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.063 1.345 . . . . 99.99 110.784 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.58 HG12 HD23 ' A' ' 98' ' ' LEU . 24.1 m -95.13 129.59 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' E' ' 449' ' ' ALA . . . -161.2 29.94 0.32 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 116.447 -0.342 . . . . 99.99 112.565 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.63 120.05 19.66 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 10.6 m -95.79 176.98 5.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.09 0.956 . . . . 99.99 109.705 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.8 153.26 40.53 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 122.825 0.45 . . . . 99.99 110.364 168.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . 0.621 HE21 ' HA ' ' E' ' 457' ' ' GLN . 0.0 OUTLIER 49.54 32.79 5.13 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.874 1.27 . . . . 99.99 111.996 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 49.9 m -101.71 130.29 48.06 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.72 115.52 2.61 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.917 0.761 . . . . 99.99 109.705 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 44' ' ' LEU . 2.7 pp -70.34 -34.59 72.84 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.426 0.454 . . . . 99.99 111.78 -176.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.486 ' N ' HD11 ' E' ' 460' ' ' LEU . 0.1 OUTLIER -176.94 -39.04 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.133 -1.432 . . . . 99.99 107.133 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -162.3 -179.66 7.18 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.658 0.783 . . . . 99.99 111.715 174.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 86.9 m -125.02 150.68 46.49 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.754 1.222 . . . . 99.99 108.061 168.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.23 18.68 2.51 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.286 0.634 . . . . 99.99 112.402 -176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.611 ' HA ' ' HA2' ' E' ' 436' ' ' GLY . 3.2 mppt? 62.73 -76.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.411 1.484 . . . . 99.99 110.889 -176.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -159.05 143.98 15.87 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 106.922 -1.511 . . . . 99.99 106.922 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -73.3 -73.51 0.21 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 117.924 0.329 . . . . 99.99 111.364 -172.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pp -174.02 144.05 0.97 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.673 0.389 . . . . 99.99 111.612 -165.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -97.09 38.43 3.1 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-N 116.378 -0.374 . . . . 99.99 112.318 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 71.48 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.176 1.39 . . . . 99.99 112.295 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.465 ' HB2' ' HZ3' ' E' ' 471' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.413 0 N-CA-C 106.306 -1.738 . . . . 99.99 106.306 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.502 -0.555 . . . . 99.99 109.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -155.9 67.02 0.6 Allowed 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.04 -1.467 . . . . 99.99 107.04 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.39 76.4 5.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.836 -171.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 HE22 ' N ' ' A' ' 54' ' ' ASP . 12.9 tt0 67.44 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.841 1.256 . . . . 99.99 111.402 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -100.24 174.91 5.92 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.936 1.294 . . . . 99.99 110.135 -172.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -67.46 174.01 3.68 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.957 0.903 . . . . 99.99 110.906 169.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.0 m -73.24 -86.9 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 118.937 -0.554 . . . . 99.99 111.49 -173.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 9' ' ' MET . 1.9 mp0 50.32 -155.56 0.12 Allowed 'General case' 0 C--N 1.365 1.281 0 C-N-CA 123.896 0.878 . . . . 99.99 112.085 -176.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.456 ' HB2' ' HB ' ' E' ' 451' ' ' VAL . 22.7 ptt? -156.7 133.18 10.01 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.232 -0.655 . . . . 99.99 109.232 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.532 ' HG1' ' HB1' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -166.59 145.22 5.43 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 122.085 0.945 . . . . 99.99 112.49 173.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.35 117.76 14.71 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 104.886 -2.264 . . . . 99.99 104.886 163.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -148.33 135.63 20.39 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' HD3' HD13 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 99.99 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 34.4 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 17.02 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' HG21 ' A' ' 59' ' ' VAL . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 50.99 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 18.45 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 13.15 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 6.92 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 22.19 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 43.73 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 29' ' ' PRO . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HZ1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' E' ' 470' ' ' LEU . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 63.88 112.655 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 73.6 110.291 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 99.99 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 50.91 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 67.81 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 99.99 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 81.17 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' HE22 ' A' ' 4' ' ' GLN . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.23 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 75.11 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 32.98 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 27.21 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 28.74 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 35.81 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 19.33 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 29.68 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 25.47 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 80.58 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD11 ' HZ1' ' A' ' 34' ' ' LYS . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 99.99 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 40.21 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 30.66 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 59.79 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 30.86 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 20.96 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' O ' HD11 ' A' ' 106' ' ' LEU . 6.9 tp-100 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 21.28 112.343 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.533 HD13 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 80.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HE1' HG21 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p -117.32 122.87 45.1 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.5 tp -105.64 148.61 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.206 1.002 . . . . 99.99 110.781 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.532 ' HB1' ' HG1' ' A' ' 10' ' ' THR . . . -159.95 140.3 11.84 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.912 0.885 . . . . 99.99 110.093 166.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -33.17 5.22 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 114.476 0.55 . . . . 99.99 114.476 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.11 146.21 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.241 0.616 . . . . 99.99 109.893 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 94' ' ' MET . 9.9 pt-20 -156.89 -152.68 0.38 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.949 0.899 . . . . 99.99 109.238 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.67 -146.37 38.51 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 118.203 0.456 . . . . 99.99 113.22 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -64.56 -25.76 68.12 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 117.023 0.412 . . . . 99.99 111.048 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -57.85 -36.17 71.93 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.362 0.665 . . . . 99.99 111.477 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.524 ' HE3' ' HA ' ' A' ' 94' ' ' MET . 10.2 mmt -59.92 -46.85 88.04 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 123.297 0.373 . . . . 99.99 111.202 168.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.71 67.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.523 0.329 . . . . 99.99 111.776 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -76.93 -41.43 43.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.698 0.799 . . . . 99.99 110.311 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.544 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.7 t -69.33 -56.11 8.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.41 1.084 . . . . 99.99 110.994 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.521 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp -72.85 -20.34 61.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.179 -1.373 . . . . 99.99 112.16 -172.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.6 ' HB1' ' HB2' ' A' ' 134' ' ' ASP . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 99.99 114.907 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 99.99 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.544 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 79.06 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 59.39 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.543 HD21 ' HB2' ' A' ' 132' ' ' ASN . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 99.99 111.459 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 83.34 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD23 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 42.55 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 17.98 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 13.2 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 36.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 15.85 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 19.0 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.546 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 5.43 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.421 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 18.83 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.453 HG23 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 22.63 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 6.65 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 88.83 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 51.92 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 39.96 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 11.33 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 32.89 109.964 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 19.39 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 30.18 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.455 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 90.79 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 93.81 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 77.99 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.585 ' HG3' HD12 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 85.02 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.478 HG11 ' HB ' ' E' ' 458' ' ' THR . 16.8 t -135.15 129.3 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' A' ' 104' ' ' ASN . 46.3 t30 -94.67 111.39 23.16 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.399 0.68 . . . . 99.99 111.311 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -66.59 -33.37 75.51 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.555 0.742 . . . . 99.99 112.236 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.6 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 34.4 t70 -67.55 -46.19 73.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.477 -0.329 . . . . 99.99 111.446 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.28 -19.04 65.78 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.998 0.811 . . . . 99.99 112.067 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.86 -50.9 30.24 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 108.748 -0.834 . . . . 99.99 108.748 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.31 -36.86 85.33 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.745 -1.116 . . . . 99.99 110.975 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.707 ' HE1' ' HB2' ' A' ' 147' ' ' GLU . 0.0 OUTLIER -72.06 -41.6 67.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 99.99 108.84 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.01 -41.45 83.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.959 0.904 . . . . 99.99 110.483 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -76.36 -30.41 57.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.074 0.949 . . . . 99.99 110.55 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 138' ' ' MET . 6.4 tt -68.38 -53.16 25.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.641 0.776 . . . . 99.99 109.666 -175.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.58 ' HG3' ' H ' ' A' ' 144' ' ' GLN . 13.7 pt20 -174.64 -21.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 56.02 5.25 0.16 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 125.193 1.397 . . . . 99.99 113.99 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.58 ' H ' ' HG3' ' A' ' 142' ' ' GLN . 25.5 tt0 -75.38 89.43 2.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.084 0.954 . . . . 99.99 110.574 -174.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 55.37 29.62 13.41 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.329 1.052 . . . . 99.99 111.49 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.98 -137.13 14.86 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.979 -0.848 . . . . 99.99 110.979 -170.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.707 ' HB2' ' HE1' ' A' ' 138' ' ' MET . 0.4 OUTLIER -160.16 141.02 12.11 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 177.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.8 -86.41 0.14 Allowed Glycine 0 CA--C 1.499 -0.924 0 N-CA-C 110.009 -1.236 . . . . 99.99 110.009 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m 70.36 157.49 0.17 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.369 1.068 . . . . 99.99 110.833 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 70.16 18.54 6.95 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.129 0.972 . . . . 99.99 110.367 -171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.74 161.44 28.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.089 0.556 . . . . 99.99 110.465 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -62.34 -28.08 69.5 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.862 0.465 . . . . 99.99 111.047 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -97.98 -61.24 1.41 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.561 0.744 . . . . 99.99 109.138 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t70 65.98 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.417 1.487 . . . . 99.99 112.463 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 123.712 0.805 . . . . 99.99 109.509 -177.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.783 0.801 . . . . 99.99 110.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.472 ' HA ' HG21 ' B' ' 7' ' ' THR . 65.0 m -92.91 -20.45 20.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.087 0.555 . . . . 99.99 112.457 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.42 -17.86 62.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.725 0.81 . . . . 99.99 112.292 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -76.94 22.41 0.19 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 113.478 0.918 . . . . 99.99 113.478 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 74.64 -66.19 0.31 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 126.04 1.736 . . . . 99.99 110.983 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . 0.448 HD21 ' HA ' ' B' ' 10' ' ' THR . 71.4 m-20 -65.77 -30.75 71.45 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.862 0.865 . . . . 99.99 111.247 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.472 HG21 ' HA ' ' B' ' 2' ' ' SER . 80.6 m 73.96 -58.0 0.6 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.085 1.354 . . . . 99.99 111.198 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.53 88.16 6.2 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.449 -0.945 . . . . 99.99 108.449 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.501 ' HE1' HD11 ' B' ' 86' ' ' ILE . 0.3 OUTLIER 67.23 171.31 0.26 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.587 1.155 . . . . 99.99 111.283 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.448 ' HA ' HD21 ' B' ' 6' ' ' ASN . 13.7 t -142.73 138.9 30.85 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.691 -0.63 . . . . 99.99 110.26 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.534 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 -148.6 145.35 27.76 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.489 -176.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 61.13 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 99.99 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 99.99 111.371 -173.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 22.84 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 25.35 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 18.25 109.467 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 41.37 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 15.07 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 29.37 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.546 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 11.41 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 27.88 109.522 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 90.3 m-20 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 51.27 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.432 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.587 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.587 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 99.99 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' B' ' 68' ' ' LEU . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 99.89 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HB3' ' HZ3' ' B' ' 41' ' ' LYS . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' E' ' 6' ' ' ILE . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 99.99 108.848 169.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.687 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 99.99 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 89.58 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 50.34 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 99.99 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 44.59 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 98.19 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 93.17 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 98.7 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.491 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 85.08 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 32.75 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 89.85 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.691 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 99.99 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 30.69 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.687 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 50.25 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.699 HG12 HG22 ' E' ' 6' ' ' ILE . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 27.1 109.0 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 27.69 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 28.91 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 82.69 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' B' ' 38' ' ' PRO . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 84.99 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 91.81 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.503 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 75' ' ' LEU . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 39.53 111.051 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 37.29 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 21.12 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 29.86 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' B' ' 117' ' ' MET . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 13.61 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.423 HG12 HD11 ' B' ' 21' ' ' ILE . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 13.23 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.691 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 36.68 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 12.8 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 51.05 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.491 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 99.99 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 99.23 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.501 HD11 ' HE1' ' B' ' 9' ' ' MET . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 99.99 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.607 ' SD ' HG22 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' E' ' 64' ' ' ALA . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.511 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 99.37 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 67.76 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 81.59 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 55.65 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 48.03 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 99.99 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 59.06 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 27.15 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 18.14 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 25.24 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 18.19 111.142 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 76.84 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.442 ' HG ' HD13 ' B' ' 21' ' ' ILE . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 28.75 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.441 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 30.1 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 17.12 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.81 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.577 ' HE3' ' SG ' ' B' ' 76' ' ' CYS . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 50.71 112.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 23.64 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 49.99 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.546 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 33.79 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 28.26 109.09 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 39.05 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 99.99 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' E' ' 304' ' ' PRO . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 99.99 109.029 175.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 99.99 109.476 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 64.44 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 75.43 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.43 HG11 ' O ' ' E' ' 8' ' ' LEU . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.99 109.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -110.5 74.8 0.89 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -60.34 -36.7 78.57 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.861 -1.063 . . . . 99.99 109.135 171.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -41.81 61.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.089 1.356 . . . . 99.99 111.721 173.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' E' ' 73' ' ' ASP . . . -74.87 -32.43 61.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.674 0.79 . . . . 99.99 111.937 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.72 -47.56 85.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.808 0.843 . . . . 99.99 110.416 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.426 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 97.1 m-85 -71.22 -38.05 72.03 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.536 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.41 64.91 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.459 0.703 . . . . 99.99 111.028 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -74.93 -24.46 58.49 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.81 -1.086 . . . . 99.99 110.484 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -84.57 -25.18 28.87 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.058 0.943 . . . . 99.99 110.822 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 79.8 mt -83.09 35.82 0.49 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.299 1.04 . . . . 99.99 111.973 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.434 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . 77.2 mt-30 -78.53 174.61 11.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.231 0.539 . . . . 99.99 110.826 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -81.38 34.16 0.37 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.016 0.926 . . . . 99.99 112.119 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . 0.434 ' HG2' ' HB2' ' B' ' 142' ' ' GLN . 87.6 mm-40 -67.57 -15.6 63.74 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 99.99 111.564 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.91 163.96 0.27 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.052 1.341 . . . . 99.99 111.478 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.5 13.09 83.59 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.189 -173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -109.55 -179.09 3.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.333 1.053 . . . . 99.99 110.221 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.39 61.72 0.06 OUTLIER Glycine 0 C--N 1.339 0.701 0 N-CA-C 111.603 -0.599 . . . . 99.99 111.603 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 54.3 m -151.47 95.5 2.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.411 0.685 . . . . 99.99 109.558 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 72.82 -31.83 0.23 Allowed 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.495 1.918 . . . . 99.99 114.403 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -177.39 5.73 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.415 0.686 . . . . 99.99 111.591 -168.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -70.92 80.27 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.841 0.713 . . . . 99.99 110.176 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 176.45 -51.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.05 -73.47 0.29 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.638 -1.165 . . . . 99.99 109.788 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.765 -0.636 . . . . 99.99 109.697 -178.336 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtm . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.16 -0.311 . . . . 99.99 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.449 ' HB2' HG22 ' E' ' 137' ' ' THR . 50.0 m -84.09 -164.11 0.89 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.666 0.787 . . . . 99.99 110.569 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.588 ' HB2' ' HA ' ' E' ' 137' ' ' THR . 33.7 tt0 77.39 -72.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.246 1.018 . . . . 99.99 111.629 168.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -91.41 154.4 19.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.176 0.99 . . . . 99.99 110.834 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . 0.424 HD22 ' HB3' ' C' ' 8' ' ' GLU . 4.1 p30 -143.82 -85.3 0.14 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.578 0.751 . . . . 99.99 110.141 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -133.16 -61.74 0.82 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.785 -0.82 . . . . 99.99 108.785 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 34.6 m -128.44 -33.43 2.12 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.017 0.527 . . . . 99.99 110.398 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.424 ' HB3' HD22 ' C' ' 5' ' ' ASN . 43.4 tt0 -67.4 80.94 0.15 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.526 0.73 . . . . 99.99 110.784 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 54.0 ttp 60.39 114.31 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.468 1.507 . . . . 99.99 112.116 -174.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -116.73 98.39 6.49 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 169.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -116.66 163.07 16.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.788 -1.096 . . . . 99.99 108.406 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 82.71 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.466 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 25.9 mm-40 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 99.99 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.455 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 17.72 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 9.52 109.059 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 51.3 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.75 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 13.13 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 15.89 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 10.19 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 26.52 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 43.6 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . 0.445 ' HG3' ' HZ3' ' D' ' 19' ' ' LYS . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 57.64 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.713 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 78.76 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 99.99 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 8.2 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 72.29 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 99.99 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 99.99 109.271 171.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.4 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.612 HD12 HD11 ' C' ' 136' ' ' LEU . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 99.99 110.131 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 90.89 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 55.92 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 78.18 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 57.25 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 99.99 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 97.58 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.69 ' HB2' HD12 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 43.88 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 30.1 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 99.67 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 31.81 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.4 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.79 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 29.1 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 36.6 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 38.08 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 65.72 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 99.99 109.008 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 83.21 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 40.89 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 38.89 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 66.65 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 32.91 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 14.84 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.75 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 26.52 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 12.17 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.489 HD13 HD12 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 39.17 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.499 HD11 ' HG2' ' C' ' 94' ' ' MET . 11.6 tt -157.54 126.71 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.93 -13.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.005 0.743 . . . . 99.99 113.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.23 -36.04 80.86 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.179 0.832 . . . . 99.99 115.179 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.528 HD12 ' HB2' ' E' ' 276' ' ' PRO . 37.7 mm 72.29 128.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.942 1.297 . . . . 99.99 110.264 -175.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.02 63.26 1.24 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.542 -0.91 . . . . 99.99 108.542 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 53.35 -125.04 30.49 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.743 -1.117 . . . . 99.99 113.884 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -83.81 -21.37 32.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.383 0.673 . . . . 99.99 111.589 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -61.02 -67.46 0.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.786 0.435 . . . . 99.99 110.735 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.499 ' HG2' HD11 ' C' ' 86' ' ' ILE . 1.1 tmt? -63.16 -36.97 85.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.364 0.665 . . . . 99.99 111.717 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.8 97.53 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.21 0.604 . . . . 99.99 111.447 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . 0.432 ' HA ' HD13 ' E' ' 280' ' ' LEU . 24.4 t-80 -83.93 -21.61 31.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.168 0.587 . . . . 99.99 110.985 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t -70.29 -43.36 70.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.229 0.612 . . . . 99.99 110.74 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.44 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 81.7 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 68.22 111.81 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.448 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 85.73 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 52.77 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' C' ' 134' ' ' ASP . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.585 HD12 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 18.22 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 62.78 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 20.21 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 17.97 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.453 ' HE2' HG23 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 10.09 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 18.56 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 31.03 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 26.09 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.506 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 21.24 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 14.3 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 10.17 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.672 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 12.08 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 54.79 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 23.93 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 27.3 112.904 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.565 ' HE1' HG12 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 36.76 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.586 ' HG3' ' H ' ' E' ' 297' ' ' TYR . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 44.0 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 92.07 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 43.42 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 64.09 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 45.54 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 40.22 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 98.11 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -81.19 -11.36 59.44 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.584 ' HB3' ' HB2' ' C' ' 104' ' ' ASN . 2.5 p-10 -58.07 -35.52 71.5 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.341 1.056 . . . . 99.99 110.264 160.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.41 24.3 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.155 0.982 . . . . 99.99 113.254 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.612 HD11 HD12 ' C' ' 44' ' ' LEU . 2.0 tm? -68.44 -25.5 65.04 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.041 0.936 . . . . 99.99 111.964 -177.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.593 ' HB2' ' HD2' ' E' ' 281' ' ' PHE . 0.0 OUTLIER -47.8 -40.96 22.42 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 115.066 1.506 . . . . 99.99 115.066 -174.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -79.22 -37.62 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.406 1.082 . . . . 99.99 110.236 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -64.25 -37.48 87.64 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.943 -1.026 . . . . 99.99 110.938 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.48 -93.12 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 O-C-N 123.874 0.733 . . . . 99.99 110.544 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.68 91.67 3.03 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.07 55.69 0.19 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 99.99 108.187 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 44.6 84.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.325 1.45 . . . . 99.99 112.327 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.98 79.43 1.18 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 122.094 0.95 . . . . 99.99 110.257 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -162.42 14.37 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.75 1.62 . . . . 99.99 109.176 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -152.07 71.29 0.29 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.78 -60.86 2.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.599 1.159 . . . . 99.99 110.563 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.86 5.05 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 115.764 -0.653 . . . . 99.99 113.352 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 24.8 p -63.86 -17.14 62.86 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 125.062 1.345 . . . . 99.99 113.777 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -72.29 -56.38 5.61 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 110.281 -0.266 . . . . 99.99 110.281 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.48 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.4 0.437 . . . . 99.99 111.684 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -116.46 -88.82 0.58 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.588 0.755 . . . . 99.99 109.845 -174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -153.54 -46.61 0.09 Allowed 'General case' 0 C--N 1.35 0.606 0 N-CA-C 107.784 -1.191 . . . . 99.99 107.784 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.29 106.07 16.06 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 106.761 -1.57 . . . . 99.99 106.761 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 C-N-CA 124.306 1.042 . . . . 99.99 110.271 -167.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.388 -0.597 . . . . 99.99 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' SER . . . . . 0.75 ' HB3' ' HB2' ' D' ' 5' ' ' ASN . 75.6 m -76.19 71.68 2.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.119 0.567 . . . . 99.99 112.271 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.4 -45.51 62.58 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.587 0.708 . . . . 99.99 110.028 173.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -85.69 -25.8 26.31 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.51 -1.223 . . . . 99.99 111.044 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . 0.75 ' HB2' ' HB3' ' D' ' 2' ' ' SER . 71.1 m-20 -81.88 108.95 15.8 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.176 -0.676 . . . . 99.99 109.176 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.69 -173.07 2.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.901 0.88 . . . . 99.99 109.972 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 64.5 m -60.6 110.23 1.23 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.939 0.895 . . . . 99.99 112.649 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.17 -179.09 6.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.981 -1.008 . . . . 99.99 109.226 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 15.4 ttt -28.58 128.29 0.08 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.243 1.417 . . . . 99.99 114.348 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -107.02 144.29 33.87 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.514 0.725 . . . . 99.99 109.299 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 79.57 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.495 HD12 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 99.99 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.431 HH12 ' HA ' ' E' ' 301' ' ' ILE . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.488 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 81.0 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.402 ' HE2' ' HZ2' ' D' ' 19' ' ' LYS . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 28.79 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 14.92 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.445 ' HZ3' ' HG3' ' C' ' 29' ' ' PRO . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 58.5 109.48 176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.672 HG21 ' HE1' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 14.63 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.411 ' N ' HG23 ' D' ' 21' ' ' ILE . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 15.53 108.749 176.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.563 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 6.05 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 14.28 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 16.78 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 22.87 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 21.13 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 30.2 109.088 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 64.18 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.583 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 34.41 109.263 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 54.02 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 34.31 112.196 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.622 HG11 HG11 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 83.42 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.648 ' HB2' HG12 ' E' ' 121' ' ' VAL . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 99.99 106.424 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.469 ' HB2' HD21 ' E' ' 111' ' ' LEU . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 97.22 111.191 -166.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.479 ' HB ' ' OG1' ' E' ' 107' ' ' THR . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 62.54 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.401 ' HG ' HG22 ' D' ' 58' ' ' VAL . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 55.71 110.401 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 61.91 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . 0.417 ' NE2' HD12 ' E' ' 100' ' ' LEU . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.99 108.813 176.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 93.38 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 99.99 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.401 HG22 ' HG ' ' D' ' 48' ' ' SER . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 71.26 109.664 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 36.06 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 79.92 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.554 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 22.5 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 23.18 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.622 HG11 HG11 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 24.43 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 32.61 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 25.12 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 49.15 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 32.34 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 33.15 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.583 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 19.1 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 12.32 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 8.66 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 19.44 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.466 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 10.02 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.554 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 29.4 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.3 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 65.32 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 99.99 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 99.99 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' E' ' 97' ' ' ILE . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 99.99 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.555 ' ND1' HD21 ' D' ' 141' ' ' LEU . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 99.99 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.693 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 70.12 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 64.46 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 46.86 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.693 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 45.41 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HB3' HD12 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 38.42 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 87.71 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD12 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 35.35 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 21.86 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 12.38 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 8.42 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 15.0 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 17.35 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.44 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 12.17 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.56 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.61 HD13 HD12 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 19.17 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 19.58 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 14.23 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.435 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 6.04 111.541 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 19.19 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 16.36 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 7.12 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 35.79 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.547 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 27.88 113.069 173.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 17.97 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.458 HD11 HG23 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 33.77 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.44 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.61 HD12 HD13 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 35.86 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 48.78 110.401 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.561 ' HB3' HD11 ' E' ' 71' ' ' ILE . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 48.18 114.286 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 95.86 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.13 -43.01 87.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.561 ' HA ' ' HE3' ' D' ' 138' ' ' MET . . . -61.48 -38.84 88.72 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.235 0.959 . . . . 99.99 112.218 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.61 -27.46 64.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.705 0.802 . . . . 99.99 111.304 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.612 ' HE1' ' HG ' ' E' ' 111' ' ' LEU . 5.7 m-85 -93.63 -27.4 16.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.347 0.659 . . . . 99.99 110.643 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.561 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 40.3 ttm -54.27 -40.21 67.61 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.333 1.453 . . . . 99.99 112.907 -170.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.4 -30.81 70.79 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.826 0.85 . . . . 99.99 111.496 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -85.9 -39.06 17.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.192 0.997 . . . . 99.99 111.371 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . 0.555 HD21 ' ND1' ' D' ' 96' ' ' HIS . 27.2 tp -61.03 -36.52 79.77 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.559 0.744 . . . . 99.99 111.549 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -75.83 0.31 18.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.359 -0.837 . . . . 99.99 112.276 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.82 88.16 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.765 0.826 . . . . 99.99 109.612 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -151.37 -61.62 0.18 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.623 -0.88 . . . . 99.99 108.623 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.05 106.04 1.51 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.54 0.736 . . . . 99.99 110.689 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.75 -65.85 4.03 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.122 -0.791 . . . . 99.99 111.122 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 89.37 0.09 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.525 1.53 . . . . 99.99 110.248 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.19 48.06 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 115.559 -0.746 . . . . 99.99 113.101 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.2 m -146.83 -61.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.028 -1.101 . . . . 99.99 108.028 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.92 20.36 11.34 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.445 1.098 . . . . 99.99 112.77 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' D' ' 152' ' ' HIS . 11.4 pt-20 46.61 -69.72 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.506 2.322 . . . . 99.99 116.052 172.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . 0.427 ' H ' ' HG3' ' D' ' 151' ' ' GLU . 30.1 m80 68.38 -177.86 0.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 124.802 1.241 . . . . 99.99 112.097 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.25 79.06 9.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.33 0.652 . . . . 99.99 109.596 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 20.2 t70 62.59 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.566 1.546 . . . . 99.99 111.017 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.08 0.952 . . . . 99.99 108.468 -179.374 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' E' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.951 -0.389 . . . . 99.99 109.951 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -162.15 150.61 14.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.218 0.607 . . . . 99.99 110.472 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -83.18 89.03 6.91 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.602 0.761 . . . . 99.99 109.386 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -141.84 147.7 37.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.146 -0.934 . . . . 99.99 110.744 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 30.1 m -67.59 148.57 51.24 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.135 0.974 . . . . 99.99 110.801 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.699 HG22 HG12 ' B' ' 64' ' ' VAL . 1.2 pp -58.46 108.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 113.893 1.071 . . . . 99.99 113.893 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.555 ' HA ' ' HB3' ' B' ' 128' ' ' LEU . . . -170.01 -90.11 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.253 -0.885 . . . . 99.99 108.696 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.43 ' O ' HG11 ' B' ' 131' ' ' VAL . 0.2 OUTLIER -176.86 35.9 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.136 -1.061 . . . . 99.99 108.136 176.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 84.1 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.733 0.813 . . . . 99.99 112.586 -167.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp 56.52 91.68 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.233 1.413 . . . . 99.99 111.854 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' E' ' 65' ' ' LYS . 2.6 pt? -56.24 154.8 14.52 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.338 -0.846 . . . . 99.99 111.478 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -46.8 154.21 1.12 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.997 3.132 . . . . 99.99 114.476 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.65 133.38 49.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.704 0.801 . . . . 99.99 110.338 -174.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.52 -178.3 0.17 Allowed 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.276 0.985 . . . . 99.99 112.645 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.502 ' O ' ' HE1' ' B' ' 94' ' ' MET . 1.4 t80 -172.03 101.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 103.028 -2.953 . . . . 99.99 103.028 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 19.9 m -77.08 -63.35 0.52 Allowed Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.215 -0.898 . . . . 99.99 112.624 -164.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.561 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 71.5 Cg_endo -99.78 132.9 0.2 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 122.475 2.117 . . . . 99.99 113.728 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.607 HG22 ' SD ' ' B' ' 94' ' ' MET . 41.2 t -62.24 -37.11 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 CA-C-O 121.657 0.742 . . . . 99.99 110.251 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' E' ' 17' ' ' PRO . 9.0 t -100.25 154.78 18.19 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.523 -1.217 . . . . 99.99 108.723 171.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.449 ' HB3' ' HG2' ' E' ' 22' ' ' ARG . 0.4 OUTLIER 74.39 -61.06 0.5 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.005 1.322 . . . . 99.99 112.122 -178.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.52 15.37 7.82 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 124.784 1.234 . . . . 99.99 113.417 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.449 ' HG2' ' HB3' ' E' ' 20' ' ' LYS . 39.7 ptt180 -112.79 -178.17 3.32 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.707 0.803 . . . . 99.99 109.897 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.21 149.84 82.43 Favored Pre-proline 0 CA--C 1.558 1.281 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.03 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -51.38 126.87 20.49 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 123.366 2.711 . . . . 99.99 113.531 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.43 -85.95 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.371 1.468 . . . . 99.99 112.051 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.9 mtt -120.2 136.82 25.36 Favored Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 122.943 0.497 . . . . 99.99 109.97 -171.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -76.49 81.49 2.49 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.276 1.984 . . . . 99.99 110.012 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -55.5 108.87 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 114.748 -1.114 . . . . 99.99 111.54 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 tp 76.57 -26.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.786 1.634 . . . . 99.99 112.955 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 58.76 -96.99 0.07 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.607 1.163 . . . . 99.99 110.34 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -153.3 125.89 8.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.877 0.871 . . . . 99.99 109.078 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -122.3 86.52 2.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.721 0.772 . . . . 99.99 109.955 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.38 42.72 0.83 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.172 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.62 82.88 2.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.129 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -161.71 151.94 17.2 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.354 0.662 . . . . 99.99 109.807 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.78 15.35 52.76 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.354 0.409 . . . . 99.99 113.422 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' E' ' 38' ' ' ILE . 10.4 t70 -78.52 88.53 4.47 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.226 1.01 . . . . 99.99 110.563 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.586 HD13 ' HB ' ' E' ' 419' ' ' VAL . 16.2 tt 169.84 163.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.771 1.628 . . . . 99.99 108.81 170.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m 85.24 -36.27 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.351 1.46 . . . . 99.99 111.91 172.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.442 ' H ' ' HD2' ' E' ' 41' ' ' PRO . . . -142.02 -48.05 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 123.397 0.679 . . . . 99.99 110.088 173.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . 0.467 ' HB3' ' HG2' ' E' ' 415' ' ' LYS . 66.0 Cg_endo -74.49 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.797 0 C-N-CA 121.39 1.393 . . . . 99.99 111.963 164.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.87 -64.17 1.03 Allowed Glycine 0 C--N 1.341 0.846 0 N-CA-C 111.226 -0.75 . . . . 99.99 111.226 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.13 -162.21 40.09 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.993 0.467 . . . . 99.99 111.966 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 76.5 -44.38 0.48 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.985 1.476 . . . . 99.99 114.985 164.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' E' ' 45' ' ' ARG . 3.9 ppt_? 37.47 89.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.845 1.658 . . . . 99.99 112.575 -165.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -75.81 -1.27 24.35 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 115.243 -0.889 . . . . 99.99 112.168 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.42 168.46 27.02 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.745 1.218 . . . . 99.99 109.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 62.9 m -65.43 -28.16 69.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.375 0.67 . . . . 99.99 111.138 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 116.48 -108.96 1.87 Allowed Glycine 0 C--N 1.34 0.769 0 N-CA-C 109.278 -1.529 . . . . 99.99 109.278 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.58 -72.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.427 1.491 . . . . 99.99 113.09 169.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.03 -26.8 62.9 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.932 1.293 . . . . 99.99 111.753 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.957 0.503 . . . . 99.99 111.519 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.11 -42.16 17.72 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.277 0.631 . . . . 99.99 110.077 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.3 16.72 8.73 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.643 1.177 . . . . 99.99 112.877 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.09 -65.22 0.16 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.217 1.407 . . . . 99.99 110.982 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -123.14 -60.25 1.51 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 107.213 -1.403 . . . . 99.99 107.213 168.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -175.2 -28.46 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 114.053 -1.43 . . . . 99.99 109.806 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -73.28 6.83 2.58 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.85 1.26 . . . . 99.99 114.329 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.88 62.47 5.69 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.691 -0.485 . . . . 99.99 109.691 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -178.38 -62.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.929 0.892 . . . . 99.99 108.659 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -135.47 -178.53 5.16 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.701 0.8 . . . . 99.99 109.832 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -100.07 98.17 7.17 Favored Pre-proline 0 N--CA 1.478 0.939 0 C-N-CA 123.896 0.878 . . . . 99.99 109.114 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.17 -58.07 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.943 2.429 . . . . 99.99 114.099 -168.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' B' ' 96' ' ' HIS . . . 59.0 92.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.697 1.199 . . . . 99.99 111.781 -173.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.482 ' HG2' HD22 ' E' ' 11' ' ' LEU . 0.5 OUTLIER -136.51 108.29 7.06 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 109.496 -0.557 . . . . 99.99 109.496 176.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.5 150.66 19.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.883 0.873 . . . . 99.99 109.49 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 13.7 tt -103.71 104.31 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.87 -28.51 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.197 0.999 . . . . 99.99 111.368 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.91 -47.37 80.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.181 0.992 . . . . 99.99 109.945 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt 61.75 90.48 0.07 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.819 1.325 . . . . 99.99 111.131 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' D' ' 130' ' ' PRO . 5.9 tp -75.64 -35.72 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.98 -56.49 0.16 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 109.65 -1.38 . . . . 99.99 109.65 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . 0.539 ' HB3' ' HB1' ' B' ' 135' ' ' ALA . 25.4 m-20 56.6 94.58 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.39 1.476 . . . . 99.99 113.338 163.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.52 103.27 0.65 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.882 -0.599 . . . . 99.99 112.444 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 64.6 mtt -68.61 96.03 0.69 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.272 0.629 . . . . 99.99 110.213 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.3 163.69 54.86 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.219 -0.9 . . . . 99.99 112.46 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.97 155.48 39.37 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.759 0.824 . . . . 99.99 110.701 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -61.44 -31.05 70.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.871 0.868 . . . . 99.99 112.09 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.472 ' HA ' ' NH2' ' E' ' 84' ' ' ARG . 41.3 mm-40 -78.32 -20.66 50.98 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.018 0.527 . . . . 99.99 111.503 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 8.6 mt 64.23 23.18 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.47 0 C-N-CA 125.034 1.333 . . . . 99.99 109.624 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 36.2 p 54.0 165.73 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 126.915 2.086 . . . . 99.99 113.997 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . 0.402 ' HA ' HG21 ' E' ' 309' ' ' THR . . . 64.06 -76.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.692 1.597 . . . . 99.99 113.092 173.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.28 -70.77 0.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.766 0.827 . . . . 99.99 109.295 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.472 ' NH2' ' HA ' ' E' ' 79' ' ' GLU . 0.1 OUTLIER -143.33 19.36 1.9 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.64 0.734 . . . . 99.99 109.548 173.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -166.56 154.25 9.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.844 0.857 . . . . 99.99 110.179 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.96 166.56 15.49 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.031 0.932 . . . . 99.99 111.889 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.0 -177.44 5.54 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.622 0.769 . . . . 99.99 110.142 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.25 -56.86 10.35 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.507 0.723 . . . . 99.99 109.84 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' E' ' 309' ' ' THR . . . 74.36 -154.23 47.33 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 114.958 -1.019 . . . . 99.99 113.669 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.53 146.76 25.5 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.635 1.174 . . . . 99.99 108.075 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.96 90.68 0.01 OUTLIER Glycine 0 C--N 1.346 1.121 0 O-C-N 124.244 0.965 . . . . 99.99 114.357 -171.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . 0.517 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . -137.29 138.55 9.81 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 110.817 -0.913 . . . . 99.99 110.817 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.16 170.41 11.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.183 0.993 . . . . 99.99 109.804 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -115.05 142.37 46.73 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.188 0.595 . . . . 99.99 110.029 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' E' ' 95' ' ' LYS . 9.8 mptt -109.09 133.56 52.84 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.889 0.876 . . . . 99.99 109.958 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.31 27.98 0.07 OUTLIER Glycine 0 C--N 1.347 1.187 0 O-C-N 123.347 0.404 . . . . 99.99 112.961 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.548 HG13 ' HA ' ' D' ' 87' ' ' ALA . 59.8 mt -137.46 139.74 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.411 1.085 . . . . 99.99 109.202 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.38 -60.01 2.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.362 0.665 . . . . 99.99 109.607 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.32 133.2 34.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.059 . . . . 99.99 109.068 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.441 ' HG ' HG23 ' E' ' 97' ' ' ILE . 2.7 mp -97.45 89.43 0.71 Allowed Pre-proline 0 CA--C 1.558 1.266 0 N-CA-C 107.471 -1.307 . . . . 99.99 107.471 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -69.69 -20.62 34.92 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.267 2.644 . . . . 99.99 113.666 -164.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.622 ' HG ' ' H ' ' E' ' 104' ' ' GLY . 25.4 tp 71.4 140.9 0.05 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.644 1.577 . . . . 99.99 111.965 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 10.9 t -78.46 -13.15 59.97 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.063 0.945 . . . . 99.99 111.326 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . 0.622 ' H ' ' HG ' ' E' ' 102' ' ' LEU . . . 158.78 132.63 1.41 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.932 -0.867 . . . . 99.99 110.932 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -55.51 -44.96 77.09 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.681 0.753 . . . . 99.99 110.153 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -118.42 163.21 17.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.111 -1.404 . . . . 99.99 107.226 158.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 107' ' ' THR . . . . . 0.479 ' OG1' ' HB ' ' D' ' 46' ' ' THR . 61.1 m -66.67 87.69 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.247 0.546 . . . . 99.99 109.942 175.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.08 -20.21 62.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.958 -1.019 . . . . 99.99 110.472 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.229 -0.896 . . . . 99.99 111.001 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 69.04 130.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.127 1.371 . . . . 99.99 110.924 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.612 ' HG ' ' HE1' ' D' ' 137' ' ' PHE . 6.6 mp -64.72 116.6 6.43 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.26 0.624 . . . . 99.99 110.936 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 46.3 t30 72.86 139.9 0.06 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.258 1.423 . . . . 99.99 110.937 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -106.92 -44.29 4.45 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -91.61 111.04 22.39 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.637 -0.711 . . . . 99.99 109.773 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 5.7 t -67.91 105.66 2.06 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.399 0.619 . . . . 99.99 111.409 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.61 58.35 4.58 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 114.993 -1.003 . . . . 99.99 113.633 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' E' ' 118' ' ' PRO . 60.0 tttm -151.87 -56.66 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.51 0 CA-C-O 118.538 -0.744 . . . . 99.99 111.044 175.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' E' ' 117' ' ' LYS . 30.6 Cg_endo -100.43 26.05 0.15 Allowed 'Trans proline' 0 C--N 1.389 2.688 0 C-N-CA 122.786 2.324 . . . . 99.99 111.19 171.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.49 140.06 31.73 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.014 -0.994 . . . . 99.99 110.42 -171.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -120.84 5.43 10.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.467 0.707 . . . . 99.99 111.527 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.648 HG12 ' HB2' ' D' ' 42' ' ' LEU . 85.2 t -72.35 109.53 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 122.853 0.461 . . . . 99.99 110.324 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 16.8 m 65.24 112.88 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.355 1.462 . . . . 99.99 113.37 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -109.69 155.17 21.87 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.057 -0.72 . . . . 99.99 109.057 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 23.7 t -79.15 68.48 5.13 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.431 0.693 . . . . 99.99 109.814 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -159.01 155.23 27.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.519 1.128 . . . . 99.99 109.411 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 65.89 86.5 0.13 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.325 1.05 . . . . 99.99 111.297 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 51.0 m -134.52 147.25 50.29 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.586 0.754 . . . . 99.99 110.067 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.93 91.72 0.98 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.607 0.763 . . . . 99.95 109.499 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.547 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 9.0 t -107.5 141.21 39.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 99.99 111.379 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.02 169.32 18.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.793 1.237 . . . . 99.99 108.909 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -147.14 165.77 28.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.534 0.334 . . . . 99.99 110.166 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 57.4 m -58.8 156.55 11.0 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.377 1.471 . . . . 99.99 114.14 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 30.9 p -80.87 -28.86 35.86 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.147 0.979 . . . . 99.99 111.847 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.02 149.83 26.27 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 110.589 -1.004 . . . . 99.66 110.589 -168.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.621 ' HA ' ' HB2' ' E' ' 468' ' ' LEU . 14.5 p -157.91 165.79 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.232 0.613 . . . . 99.99 110.112 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.507 ' HZ2' ' HB3' ' E' ' 136' ' ' LYS . 0.2 OUTLIER -168.65 -167.34 0.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.404 1.082 . . . . 99.99 109.231 178.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' C' ' 3' ' ' GLU . 25.1 m 70.06 75.8 0.21 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.002 1.321 . . . . 99.99 111.068 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -126.18 133.25 51.6 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.89 1.276 . . . . 99.99 109.371 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -144.31 -168.42 2.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.588 1.155 . . . . 99.99 108.023 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.05 146.02 18.47 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 116.823 -0.172 . . . . 99.99 113.037 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -167.63 12.83 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.852 0.861 . . . . 99.99 110.987 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.55 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.402 1.481 . . . . 99.99 111.062 -169.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.0 141.34 6.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.392 -0.367 . . . . 99.99 112.814 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.0 m -122.2 81.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-O 121.939 0.876 . . . . 99.99 109.168 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.3 115.25 21.37 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.624 -0.716 . . . . 99.99 110.171 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.23 109.51 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -139.64 88.23 2.23 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.461 . . . . 99.99 107.054 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.24 164.54 25.34 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.21 0.604 . . . . 99.99 110.605 -174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -64.32 132.0 48.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.457 -0.792 . . . . 99.99 109.741 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.2 128.06 35.17 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.21 -0.663 . . . . 99.99 109.21 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -63.52 115.95 22.23 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.868 0.73 . . . . 99.99 111.272 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.11 -175.26 1.96 Allowed 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.875 2.384 . . . . 99.99 111.525 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 153' ' ' THR . . . . . 0.471 ' HA ' ' OG ' ' E' ' 347' ' ' SER . 27.8 m 62.11 81.33 0.2 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.084 0.953 . . . . 99.99 110.926 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.32 -14.83 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.116 -0.947 . . . . 99.99 111.767 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.94 -42.59 94.36 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.571 1.148 . . . . 99.99 110.018 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -85.44 -17.17 37.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.923 0.712 . . . . 99.99 112.923 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 91.9 mtp -58.53 -41.41 85.43 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.814 0.446 . . . . 99.99 111.709 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' E' ' 161' ' ' ALA . . . -166.91 120.92 1.03 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.053 0.541 . . . . 99.99 110.369 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -86.19 -66.52 0.89 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.562 -0.533 . . . . 99.99 109.562 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -94.28 -41.35 9.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.897 0.879 . . . . 99.99 110.535 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . 0.712 ' HB3' ' HB1' ' E' ' 158' ' ' ALA . . . 64.85 -82.05 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.03 1.332 . . . . 99.99 111.56 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 144.7 53.6 0.03 OUTLIER Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.331 -1.108 . . . . 99.99 110.331 -175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.32 152.67 38.15 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.808 0.843 . . . . 99.99 111.486 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 74.88 174.29 0.26 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.248 1.419 . . . . 99.99 112.746 172.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 49.7 m -61.48 -43.27 99.16 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 115.173 -0.921 . . . . 99.99 111.42 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.82 90.74 0.52 Allowed Glycine 0 C--N 1.34 0.753 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -100.53 125.97 46.93 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.025 0.53 . . . . 99.99 110.149 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 55.7 t -84.84 -62.76 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.679 0.792 . . . . 99.99 109.495 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 18.0 t 74.03 -47.06 0.64 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.07 1.748 . . . . 99.99 112.721 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 4.7 m 61.77 33.93 17.57 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.281 1.032 . . . . 99.99 110.095 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.55 -17.38 60.09 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.556 -0.747 . . . . 99.99 111.923 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . 0.77 ' HB2' HD13 ' E' ' 329' ' ' ILE . 6.3 mp0 -90.81 158.15 16.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.841 -0.8 . . . . 99.99 108.841 174.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.12 102.82 1.07 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.46 -0.941 . . . . 99.99 108.46 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.506 HE22 ' HA ' ' E' ' 326' ' ' ASP . 29.9 tt0 -69.6 102.81 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.19 0.519 . . . . 99.99 110.272 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.63 167.88 24.44 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.363 -0.835 . . . . 99.99 108.928 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 74.52 -65.63 0.34 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.957 1.303 . . . . 99.99 110.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 29.8 m 65.38 82.71 0.2 Allowed Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.306 1.043 . . . . 99.99 111.192 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.7 121.28 5.02 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 122.985 2.457 . . . . 99.99 111.735 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.75 89.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.103 0.561 . . . . 99.99 110.718 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' E' ' 336' ' ' GLU . . . 59.48 82.24 0.15 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.754 1.222 . . . . 99.99 111.797 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.17 152.6 21.26 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.827 0.851 . . . . 99.99 109.481 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 73.1 t -68.74 104.52 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -94.25 154.05 17.73 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 123.503 0.721 . . . . 99.99 110.526 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 76.6 -7.0 1.91 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.26 1.424 . . . . 99.99 112.669 173.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.0 t 67.34 -71.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 124.918 1.287 . . . . 99.99 111.345 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m 64.23 -77.17 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.837 1.655 . . . . 99.99 112.376 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.7 m -65.75 -43.61 88.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.835 . . . . 99.99 111.288 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 61.45 102.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.934 1.294 . . . . 99.99 110.568 -172.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 81.49 -40.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.859 1.664 . . . . 99.99 111.216 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 51.9 t 79.91 -45.84 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 125.612 1.565 . . . . 99.99 112.877 171.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -79.85 -21.86 43.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.541 0.737 . . . . 99.99 111.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -163.65 153.1 23.37 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 121.224 -0.512 . . . . 99.99 113.422 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.2 -173.28 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.588 2.858 . . . . 99.99 111.845 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 194' ' ' SER . . . . . 0.848 ' HB2' ' HB2' ' E' ' 198' ' ' GLU . 15.9 m -67.69 -35.42 78.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.375 0.27 . . . . 99.99 111.113 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 58.11 -78.63 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.329 1.452 . . . . 99.99 113.357 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 24.9 m -64.37 -31.95 73.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.313 0.645 . . . . 99.99 110.643 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.0 t -108.32 31.62 5.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.898 0.879 . . . . 99.99 110.026 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.848 ' HB2' ' HB2' ' E' ' 194' ' ' SER . 34.0 tt0 -148.85 107.89 3.89 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.051 -0.722 . . . . 99.99 109.051 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 59.98 36.05 21.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.193 0.997 . . . . 99.99 110.6 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 37.7 t -57.84 -39.95 80.11 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 114.352 -1.295 . . . . 99.99 113.074 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.44 73.53 4.53 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 120.895 1.355 . . . . 99.99 111.501 167.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -74.98 -23.61 74.16 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 115.348 -0.842 . . . . 99.99 112.046 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.02 148.71 51.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 99.99 110.443 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.6 71.68 2.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 99.99 110.148 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 17.3 tp 60.1 29.38 18.96 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.948 1.299 . . . . 99.99 111.387 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 61.19 23.8 13.97 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.574 1.149 . . . . 99.99 111.256 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -83.71 123.11 29.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.519 -0.548 . . . . 99.99 109.519 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -84.58 44.89 3.41 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 122.952 0.311 . . . . 99.99 113.303 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -98.44 -145.66 19.17 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -64.95 -55.37 19.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.951 0.501 . . . . 99.99 110.341 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 57.87 48.24 83.55 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 123.92 0.762 . . . . 99.99 114.06 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 77.7 p -123.0 151.15 42.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.369 0.668 . . . . 99.99 110.005 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.594 HD11 ' HB3' ' E' ' 216' ' ' GLN . 40.1 pt -69.28 -33.43 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.359 0.412 . . . . 99.99 111.258 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 28.7 m 59.51 -82.7 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.221 1.408 . . . . 99.99 112.898 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.57 0.748 . . . . 99.99 111.6 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . 0.594 ' HB3' HD11 ' E' ' 213' ' ' ILE . 1.0 OUTLIER -66.77 -54.67 20.32 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 45.8 tp 75.78 -36.56 0.29 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.269 1.428 . . . . 99.99 113.183 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 59.1 tp 60.98 86.72 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.943 1.297 . . . . 99.99 110.989 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -100.03 -72.51 0.66 Allowed 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.677 -0.692 . . . . 99.99 109.621 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.59 -76.78 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.887 1.275 . . . . 99.99 110.114 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -160.04 -62.19 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 168.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -174.87 -78.7 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.556 -1.202 . . . . 99.99 109.23 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -174.13 26.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.734 1.213 . . . . 99.99 108.185 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 32.4 m -79.25 -172.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 114.635 -1.166 . . . . 99.99 113.034 -162.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 6.2 m -70.55 93.2 0.89 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.235 1.014 . . . . 99.99 110.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 8.4 tt -157.76 -55.3 0.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.054 -0.721 . . . . 99.99 109.054 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -95.93 29.06 10.49 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.681 -0.691 . . . . 99.99 113.241 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 83.3 156.49 22.01 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.844 0.322 . . . . 99.99 113.135 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 85.93 -50.31 4.27 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 119.849 -0.417 . . . . 99.99 113.155 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 75.21 -50.02 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.847 1.659 . . . . 99.99 111.921 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.69 20.18 11.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.694 1.198 . . . . 99.99 110.958 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.7 t -171.11 92.7 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.762 1.225 . . . . 99.99 108.641 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' E' ' 354' ' ' ALA . 84.4 t80 62.38 108.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.237 1.015 . . . . 99.99 111.243 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -170.98 -179.42 2.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.297 0.639 . . . . 99.99 110.973 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 58.31 42.94 20.82 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.837 1.336 . . . . 99.99 112.031 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 236' ' ' THR . . . . . 0.459 ' HA ' ' HE2' ' E' ' 353' ' ' HIS . 66.8 m -81.27 -38.6 26.59 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.79 175.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -78.96 -29.33 43.87 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.879 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 29.9 m -106.29 96.53 6.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.746 . . . . 99.99 109.183 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 69.92 178.08 0.26 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.631 1.172 . . . . 99.99 111.932 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 90.47 -16.22 58.26 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 115.806 -0.634 . . . . 99.99 112.302 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . 0.45 ' HG3' ' H ' ' E' ' 242' ' ' TRP . 8.6 tp10 -89.26 -176.33 5.06 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.046 0.938 . . . . 99.99 109.448 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . 0.45 ' H ' ' HG3' ' E' ' 241' ' ' GLU . 32.9 t90 84.31 -49.53 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 126.269 1.828 . . . . 99.99 108.654 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.554 ' HB3' ' HB3' ' E' ' 381' ' ' GLU . 75.7 mt-30 71.55 165.13 0.29 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.425 1.49 . . . . 99.99 113.415 164.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 140.39 -172.08 23.69 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.932 -1.031 . . . . 99.99 111.108 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 112.95 8.77 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.449 0.7 . . . . 99.99 110.406 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.55 HG21 ' HB3' ' E' ' 248' ' ' ARG . 21.5 m 55.78 107.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.989 1.316 . . . . 99.99 113.518 163.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.11 -23.58 65.61 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.469 0.708 . . . . 99.99 111.506 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.55 ' HB3' HG21 ' E' ' 246' ' ' THR . 3.9 tpp180 -62.03 -14.57 37.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.902 1.281 . . . . 99.99 112.508 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' E' ' 252' ' ' GLN . 19.0 pt-20 -47.92 -27.38 2.13 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.8 1.24 . . . . 99.99 113.721 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.41 -52.91 59.57 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.407 1.083 . . . . 99.99 111.126 175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' E' ' 248' ' ' ARG . . . -84.82 -13.99 49.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.323 1.049 . . . . 99.99 112.042 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' E' ' 249' ' ' GLU . 27.3 tt0 -73.51 -13.79 61.11 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.28 1.032 . . . . 99.99 111.195 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -45.55 -59.62 2.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.36 1.064 . . . . 99.99 111.704 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 58.76 -172.19 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.56 1.144 . . . . 99.99 112.858 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -129.73 98.52 0.43 Allowed Glycine 0 C--N 1.34 0.782 0 N-CA-C 109.692 -1.363 . . . . 99.99 109.692 172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -83.08 -82.73 0.14 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.436 -0.579 . . . . 99.99 109.436 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 52.81 23.78 2.94 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.707 1.203 . . . . 99.99 112.665 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.16 67.32 9.69 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.991 0.901 . . . . 99.99 108.575 -173.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -49.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 125.688 1.595 . . . . 99.99 106.866 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 15.5 p -88.16 -45.53 10.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.113 0.965 . . . . 99.99 109.413 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.69 91.98 4.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.277 0.631 . . . . 99.99 109.446 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -89.94 1.4 56.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.477 1.111 . . . . 99.99 112.632 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.28 42.74 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.129 0.971 . . . . 99.99 112.804 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 23.5 m 65.2 3.22 2.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.735 1.214 . . . . 99.99 114.002 173.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . 0.404 ' HB3' ' OG ' ' E' ' 267' ' ' SER . 0.5 OUTLIER 65.46 0.51 1.41 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 125.09 1.356 . . . . 99.99 111.739 -178.007 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 53.57 32.83 15.04 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.468 1.107 . . . . 99.99 112.504 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 267' ' ' SER . . . . . 0.404 ' OG ' ' HB3' ' E' ' 265' ' ' LEU . 13.6 m -75.88 71.45 2.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.959 0.904 . . . . 99.99 111.554 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.01 -21.03 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.21 0.604 . . . . 99.99 110.93 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 30.4 m -125.01 108.88 12.3 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 72.68 176.27 0.27 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.157 1.383 . . . . 99.99 111.529 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.0 27.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.529 0.732 . . . . 99.99 112.803 -170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -88.58 -55.74 3.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.86 0.464 . . . . 99.99 111.653 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.28 -165.87 1.21 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.942 0.719 . . . . 99.99 112.942 -165.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.38 -40.2 1.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.6 1.16 . . . . 99.99 109.213 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -112.77 127.16 27.19 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.16 0.984 . . . . 99.99 109.437 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.528 ' HB2' HD12 ' C' ' 89' ' ' ILE . 8.2 Cg_endo -89.15 -82.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.123 2.548 . . . . 99.99 112.143 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 1.5 tt 51.06 -85.42 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.636 1.575 . . . . 99.99 111.24 -170.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 74.4 mt -145.55 -167.03 2.59 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.408 1.083 . . . . 99.99 109.329 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 74.87 -100.46 1.22 Allowed Glycine 0 C--N 1.345 1.033 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.307 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.672 HD12 ' H ' ' E' ' 282' ' ' ALA . 2.5 tm? 62.67 -83.75 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.345 1.058 . . . . 99.99 109.103 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.593 ' HD2' ' HB2' ' C' ' 137' ' ' PHE . 14.7 m-85 53.95 14.41 0.68 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.542 1.137 . . . . 99.99 113.979 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . 0.672 ' H ' HD12 ' E' ' 280' ' ' LEU . . . -93.47 -173.8 3.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.807 1.243 . . . . 99.99 110.292 176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.38 75.82 0.38 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.615 1.166 . . . . 99.99 110.606 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -140.88 -114.45 1.11 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-O 119.357 -0.691 . . . . 99.99 111.945 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 10.2 t30 63.31 97.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.379 1.072 . . . . 99.99 111.713 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.67 153.9 23.85 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.149 0.58 . . . . 99.99 109.93 176.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.47 133.5 22.59 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.541 2.16 . . . . 99.99 110.549 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.7 -44.76 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 C-N-CA 123.336 0.655 . . . . 99.99 110.464 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? 56.99 73.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.445 1.098 . . . . 99.99 110.21 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -96.95 174.19 6.9 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.047 -1.433 . . . . 99.99 110.41 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -124.87 176.92 17.02 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.57 -174.32 1.23 Allowed 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.125 2.55 . . . . 99.99 112.594 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.521 ' HZ1' ' HB2' ' E' ' 294' ' ' LYS . 10.2 mtmp? 76.85 -43.16 0.44 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 125.648 1.579 . . . . 99.99 112.697 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.64 80.05 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.874 0.87 . . . . 99.99 111.911 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 27.1 m -81.86 131.4 35.25 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.509 -0.769 . . . . 99.99 109.027 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.586 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 32.8 m-85 73.23 24.86 2.34 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.657 1.583 . . . . 99.99 111.9 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.33 -41.63 98.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.415 0.686 . . . . 99.99 110.634 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -169.39 108.03 0.28 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.463 -0.655 . . . . 99.99 111.463 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . 0.521 HD22 ' HD1' ' E' ' 297' ' ' TYR . 2.6 p30 -164.39 -32.11 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.558 0.743 . . . . 99.99 110.576 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.431 ' HA ' HH12 ' D' ' 15' ' ' ARG . 91.3 mt -88.38 126.64 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.572 0.749 . . . . 99.99 109.082 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.91 68.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.255 1.422 . . . . 99.99 109.824 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.414 ' HB3' ' HD3' ' E' ' 304' ' ' PRO . 17.8 tppt? -168.23 -60.95 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.838 -174.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.515 ' HB2' ' HB3' ' B' ' 127' ' ' ASN . 44.0 Cg_endo -96.25 28.57 0.21 Allowed 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 122.933 2.422 . . . . 99.99 111.956 -170.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -120.16 141.19 50.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.233 1.013 . . . . 99.99 109.729 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 38.4 t -79.36 105.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.6 p -135.8 167.6 20.85 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.059 0.943 . . . . 99.99 109.556 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.517 ' SG ' ' HA3' ' E' ' 92' ' ' GLY . 27.8 p -63.6 126.14 26.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.964 0.505 . . . . 99.99 109.874 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 309' ' ' THR . . . . . 0.466 ' HA ' ' HA2' ' E' ' 89' ' ' GLY . 10.2 t -83.71 118.09 70.45 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 123.15 0.58 . . . . 99.99 111.292 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -93.15 -179.0 0.85 Allowed 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.798 2.332 . . . . 99.99 112.049 171.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -109.05 144.66 30.12 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 115.234 -0.894 . . . . 99.99 108.716 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.19 85.2 1.05 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.045 1.83 . . . . 99.99 111.158 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.53 -20.42 65.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.484 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -114.72 46.8 1.34 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.708 0.803 . . . . 99.99 108.95 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.19 96.16 0.32 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.491 -0.929 . . . . 99.99 108.491 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -163.39 102.23 0.95 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.351 -0.841 . . . . 99.99 109.661 -169.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 317' ' ' SER . . . . . 0.545 ' HB2' ' HG3' ' E' ' 432' ' ' GLN . 69.5 m -143.84 151.97 40.59 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.807 0.843 . . . . 99.99 109.985 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 24.5 m -126.47 147.34 59.91 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.934 0.894 . . . . 99.99 110.181 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.48 128.53 26.29 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.586 2.19 . . . . 99.99 111.094 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 28.8 m -45.98 -45.49 15.73 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.357 1.463 . . . . 99.99 114.36 -168.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 20.3 tp -139.19 21.7 2.59 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.012 0.434 . . . . 99.99 110.411 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.97 28.95 13.45 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.82 1.248 . . . . 99.99 114.269 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 63.35 104.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.509 1.124 . . . . 99.99 111.484 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.46 145.43 9.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.52 0.728 . . . . 99.99 109.372 173.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 9.8 t -157.34 150.63 23.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.981 0.913 . . . . 99.99 109.678 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.506 ' HA ' HE22 ' E' ' 174' ' ' GLN . 60.4 m-20 -102.0 -114.64 0.2 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.423 0.689 . . . . 99.99 109.169 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm 77.57 -29.7 0.17 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.305 1.442 . . . . 99.99 114.336 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.92 62.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.087 0.555 . . . . 99.99 111.671 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' E' ' 172' ' ' GLU . 8.0 tp -66.68 -27.23 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.295 1.038 . . . . 99.99 111.527 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.57 -28.13 68.28 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.644 0.778 . . . . 99.99 111.318 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.517 ' HA ' ' HE3' ' E' ' 334' ' ' LYS . 84.5 mt -75.81 -30.67 59.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.627 0.771 . . . . 99.99 110.3 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 28.5 tp -79.38 145.13 33.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.417 -0.811 . . . . 99.99 109.318 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 32.6 t 66.54 13.34 9.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.392 1.077 . . . . 99.99 110.823 -169.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' E' ' 331' ' ' LEU . 13.7 ttpp -136.21 29.23 3.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.387 0.675 . . . . 99.99 109.705 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.57 111.86 8.11 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.323 -0.621 . . . . 99.99 109.323 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.415 ' H ' ' HB1' ' E' ' 180' ' ' ALA . 42.2 mt-10 64.66 18.23 11.3 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.537 1.135 . . . . 99.99 111.593 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -84.95 135.82 33.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.173 -0.921 . . . . 99.99 109.085 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' E' ' 392' ' ' HIS . . . 111.62 4.95 26.34 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-O 120.064 -0.298 . . . . 99.99 113.311 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.04 156.67 27.39 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.372 0.669 . . . . 99.99 109.565 170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -72.32 78.58 1.0 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.548 0.689 . . . . 99.99 110.624 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.2 tp -87.26 -38.94 15.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.926 -1.034 . . . . 99.99 108.852 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -114.58 92.4 3.94 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.896 0.878 . . . . 99.99 108.977 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 4.1 p -146.15 108.89 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.26 161.55 19.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.49 1.116 . . . . 99.99 109.673 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -65.8 -83.28 0.1 OUTLIER Glycine 0 C--N 1.344 0.988 0 O-C-N 124.03 0.831 . . . . 99.99 111.831 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 72.25 -35.64 0.33 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.567 1.547 . . . . 99.99 113.003 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 347' ' ' SER . . . . . 0.471 ' OG ' ' HA ' ' E' ' 153' ' ' THR . 29.9 t -79.95 85.87 5.52 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.616 0.766 . . . . 99.99 110.397 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.73 126.63 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 N-CA-C 108.103 -1.073 . . . . 99.99 108.103 172.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -110.51 155.71 21.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.696 0.798 . . . . 99.99 110.883 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 55.4 tttm 82.82 116.46 0.05 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.826 1.651 . . . . 99.99 110.862 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 67.01 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.298 1.439 . . . . 99.99 111.331 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . 0.41 ' HB3' ' HB1' ' E' ' 355' ' ' ALA . 15.5 t70 -170.79 161.53 7.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.387 0.675 . . . . 99.99 109.32 -169.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . 0.459 ' HE2' ' HA ' ' E' ' 236' ' ' THR . 52.9 t-80 -49.12 -37.36 21.59 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.363 1.465 . . . . 99.99 112.883 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . 0.421 ' HA ' ' HD2' ' E' ' 233' ' ' PHE . . . -152.93 -47.8 0.1 Allowed 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.061 0.944 . . . . 99.99 110.253 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' E' ' 352' ' ' ASP . . . 71.12 -74.33 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.626 1.57 . . . . 99.99 111.316 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 102.51 -59.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.698 0 C-N-CA 128.276 2.63 . . . . 99.99 110.562 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.529 ' HD3' ' HG2' ' E' ' 376' ' ' GLU . 98.3 Cg_endo -75.04 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-N 121.924 1.723 . . . . 99.99 111.672 169.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 38.6 t -121.46 24.17 10.01 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.061 -0.972 . . . . 99.99 108.81 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 138.34 -116.54 1.31 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.561 -1.416 . . . . 99.99 109.561 -170.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 47.44 26.7 0.81 Allowed 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 125.926 1.69 . . . . 99.99 114.04 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 85.8 mt -87.96 139.29 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.162 0.985 . . . . 99.99 109.667 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 132.29 170.76 12.62 Favored Glycine 0 N--CA 1.471 0.974 0 N-CA-C 111.557 -0.617 . . . . 99.99 111.557 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.39 86.88 0.43 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.186 0.517 . . . . 99.99 109.9 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 36.0 m -154.85 103.94 2.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.151 0.98 . . . . 99.99 108.528 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.15 139.42 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.349 0.66 . . . . 99.99 109.588 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . 0.425 ' HB3' ' HB3' ' E' ' 369' ' ' GLU . 15.0 t70 -126.15 149.57 48.88 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.371 -1.344 . . . . 99.99 107.371 170.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.46 -42.23 86.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.771 0.428 . . . . 99.99 111.993 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.04 -41.66 63.94 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.213 0.605 . . . . 99.99 110.646 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 38.2 tt0 -64.8 -34.29 78.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.947 0.899 . . . . 99.99 112.287 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -55.84 -16.0 3.98 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.097 1.147 . . . . 99.99 114.097 -170.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 13.6 p -59.51 -24.49 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 124.24 1.016 . . . . 99.99 112.09 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' E' ' 376' ' ' GLU . 0.0 OUTLIER -59.57 -27.15 66.0 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 112.776 0.658 . . . . 99.99 112.776 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.446 ' HG3' ' OE1' ' E' ' 372' ' ' GLN . 51.5 mtp180 -58.77 -38.57 78.78 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.269 0.627 . . . . 99.99 111.006 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.58 39.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.199 -0.909 . . . . 99.99 110.502 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.38 -20.56 65.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.619 0.768 . . . . 99.99 112.409 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' E' ' 372' ' ' GLN . 52.1 mt-10 -59.27 -45.71 90.49 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.74 0.816 . . . . 99.99 111.277 174.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' E' ' 380' ' ' LYS . 93.7 m-85 -68.18 -46.02 71.85 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.052 0.541 . . . . 99.99 110.276 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.16 -10.84 60.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.722 0.809 . . . . 99.99 112.548 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . 0.409 ' HB3' ' HE3' ' E' ' 379' ' ' LYS . 0.3 OUTLIER -61.64 -41.0 96.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.148 0.979 . . . . 99.99 110.975 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 22.6 pttp -69.87 3.21 2.75 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.72 1.007 . . . . 99.99 113.72 -169.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . 0.554 ' HB3' ' HB3' ' E' ' 243' ' ' GLN . 40.4 mm-40 -64.62 98.23 0.25 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.951 0.5 . . . . 99.99 109.713 165.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 159.6 104.59 0.2 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 116.436 -0.347 . . . . 99.99 112.675 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -128.03 -39.49 1.75 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.079 0.951 . . . . 99.99 109.042 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 11.3 m 62.82 -80.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.569 1.548 . . . . 99.99 110.717 -175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 81.5 mt 58.53 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.521 1.528 . . . . 99.99 113.197 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 47.3 t -81.22 104.85 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.277 0.631 . . . . 99.99 110.783 -171.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.78 101.12 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.232 -1.396 . . . . 99.99 107.232 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.14 111.21 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.402 0.62 . . . . 99.99 110.511 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.2 t -144.95 157.8 44.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.681 0.792 . . . . 99.99 110.33 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.86 108.12 10.87 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.287 -0.634 . . . . 99.99 109.287 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.8 161.18 17.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.877 0.871 . . . . 99.99 111.825 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . 0.454 ' HB2' ' HA2' ' E' ' 338' ' ' GLY . 51.5 p-80 -60.23 -8.36 2.48 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.569 1.547 . . . . 99.99 113.683 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -62.77 -167.17 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.696 1.198 . . . . 99.99 113.072 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' E' ' 397' ' ' GLN . 83.2 t60 -47.74 -24.99 1.08 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.884 1.273 . . . . 99.99 113.494 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -48.0 -41.09 24.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.47 1.108 . . . . 99.99 113.072 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 56.6 p -106.68 -4.48 19.46 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.547 0.739 . . . . 99.99 112.942 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' E' ' 394' ' ' HIS . 15.1 pt20 -157.88 125.09 5.07 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.283 0.563 . . . . 99.99 112.252 -173.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.33 -44.93 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.831 0.853 . . . . 99.99 108.779 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.581 HG11 ' H ' ' E' ' 400' ' ' ALA 0.297 5.7 p 37.47 -94.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 126.543 1.937 . . . . 99.99 113.073 -171.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.581 ' H ' HG11 ' E' ' 399' ' ' VAL 0.294 . . 92.21 -86.73 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.63 0 C-N-CA 126.425 1.89 . . . . 99.99 114.581 172.132 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 85.4 Cg_endo -75.7 129.43 11.72 Favored 'Trans proline' 0 C--N 1.401 3.336 0 CA-C-N 123.562 2.308 . . . . 99.99 113.295 -165.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.4 -25.9 46.28 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.606 0.762 . . . . 99.99 110.187 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -75.99 -40.16 54.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.12 0.968 . . . . 99.99 111.139 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.75 -86.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.141 1.376 . . . . 99.99 110.941 -170.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -150.3 79.54 7.42 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.676 0.79 . . . . 99.99 109.877 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -89.49 148.42 5.2 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 122.641 2.227 . . . . 99.99 112.139 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -74.09 -78.33 0.59 Allowed Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.521 -1.032 . . . . 99.99 110.521 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 86.9 mt 46.82 34.28 2.55 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.331 1.452 . . . . 99.99 113.563 172.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.4 m -74.14 99.69 3.45 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.762 -0.653 . . . . 99.99 109.976 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -84.88 1.05 48.88 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.288 -0.869 . . . . 99.99 111.069 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -61.74 110.24 1.46 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 123.613 0.765 . . . . 99.99 109.85 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.561 HD22 ' H ' ' E' ' 412' ' ' LEU . 1.9 pt? -103.55 34.33 3.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.53 0.732 . . . . 99.99 110.292 -177.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.19 95.94 0.09 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.835 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 9.8 t -67.8 154.13 42.22 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.266 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . 0.467 ' HG2' ' HB3' ' E' ' 41' ' ' PRO . 8.3 mtmp? -122.69 26.11 8.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.964 0.905 . . . . 99.99 108.763 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -125.45 -18.42 5.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.727 0.811 . . . . 99.99 111.151 -169.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.34 -51.0 29.17 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.819 -0.434 . . . . 99.99 114.036 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 52.47 85.08 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.61 1.164 . . . . 99.99 111.707 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . 0.586 ' HB ' HD13 ' E' ' 38' ' ' ILE . 93.3 t -54.7 -48.55 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.132 0.573 . . . . 99.99 110.806 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 57.5 ttp -155.08 -70.33 0.12 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.5 m -95.19 154.85 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.284 0.633 . . . . 99.99 110.618 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 24.2 ttt -89.32 -66.35 0.93 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.378 -0.828 . . . . 99.99 109.97 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 44.8 m -117.52 95.53 5.0 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.403 0.681 . . . . 99.99 110.374 -171.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.74 -37.76 15.24 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -110.71 -149.32 11.9 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.227 -0.897 . . . . 99.99 111.966 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -153.77 155.89 36.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.285 0.634 . . . . 99.99 109.717 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 51.1 p -76.96 100.74 5.7 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 165.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -139.69 0.31 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.739 0.816 . . . . 99.99 110.73 -172.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.35 -38.23 68.63 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.472 0.709 . . . . 99.99 111.96 -168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.52 -38.23 77.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.184 0.516 . . . . 99.99 110.073 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 22.2 m -64.35 -28.25 69.57 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.254 -0.885 . . . . 99.99 111.082 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.545 ' HG3' ' HB2' ' E' ' 317' ' ' SER . 20.7 tp60 -86.72 0.53 54.49 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 124.529 1.132 . . . . 99.99 110.569 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 82.39 -58.5 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.457 1.903 . . . . 99.99 111.454 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 69.62 13.72 8.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.373 1.069 . . . . 99.99 111.758 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 5.1 m -135.32 177.41 7.83 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.789 0.836 . . . . 99.99 110.267 -171.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -114.67 86.61 0.42 Allowed Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.433 -0.667 . . . . 99.99 111.433 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 76.3 p -76.72 -24.79 53.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.109 0.564 . . . . 99.99 111.204 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -71.88 88.89 1.05 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.455 0.702 . . . . 99.99 109.763 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.3 158.49 0.15 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 99.99 111.868 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -105.68 94.08 5.0 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.422 -0.955 . . . . 99.99 108.422 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.13 132.2 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.153 -0.93 . . . . 99.99 109.419 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 69.46 28.16 4.74 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.888 1.275 . . . . 99.99 111.939 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -107.04 171.15 7.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.306 0.642 . . . . 99.99 111.81 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 67.14 177.63 0.24 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.261 1.424 . . . . 99.99 111.41 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 149.73 -174.97 29.08 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 120.018 -0.323 . . . . 99.99 113.277 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.92 135.57 56.31 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 123.349 2.7 . . . . 99.99 112.092 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.22 -22.73 20.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.177 0.591 . . . . 99.99 110.602 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 61.12 32.79 19.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.579 1.151 . . . . 99.99 111.525 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -120.04 175.42 5.93 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.781 0.832 . . . . 99.99 111.459 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -77.52 172.79 12.8 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.948 0.899 . . . . 99.99 110.421 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.48 HG22 ' H ' ' E' ' 452' ' ' VAL . 9.1 p -108.95 177.47 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.278 0.631 . . . . 99.99 110.401 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.48 ' H ' HG22 ' E' ' 451' ' ' VAL . 93.9 t -54.32 99.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 124.701 1.2 . . . . 99.99 111.224 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -137.59 38.5 1.71 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 108.919 -1.672 . . . . 99.99 108.919 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.425 HD22 ' SG ' ' A' ' 97' ' ' CYS . 2.2 pp -79.86 133.21 36.24 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.818 -1.191 . . . . 99.99 111.805 -169.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -136.95 -96.71 0.21 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.0 0.92 . . . . 99.99 109.719 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.56 78.66 0.2 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.389 1.076 . . . . 99.99 111.543 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -80.57 97.81 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.473 0.654 . . . . 99.99 109.358 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.478 ' HB ' HG11 ' A' ' 131' ' ' VAL . 2.2 m -88.4 -81.72 0.25 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.167 -170.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -171.09 -177.9 2.31 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.664 0.786 . . . . 99.99 109.113 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 35.1 tp -93.55 137.61 32.65 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.015 0.825 . . . . 99.99 109.486 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.54 115.55 8.34 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.221 0.534 . . . . 99.99 110.351 -175.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -139.87 -154.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 106.792 -1.559 . . . . 99.99 106.792 171.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 463' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 41' ' ' LYS . 48.0 m -68.39 83.47 0.26 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.195 -1.409 . . . . 99.99 107.195 166.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 72.1 mtm -70.85 116.59 11.32 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.926 -1.034 . . . . 99.99 110.751 -169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.41 -27.79 66.33 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.541 -1.209 . . . . 99.99 111.127 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -72.74 86.0 1.22 Allowed 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 167.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -70.38 139.64 51.94 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.114 -0.948 . . . . 99.99 111.684 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.621 ' HB2' ' HA ' ' E' ' 135' ' ' VAL . 3.4 pp -70.56 -21.33 62.71 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.678 -0.692 . . . . 99.99 111.241 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 158.97 -164.77 33.9 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.345 -0.843 . . . . 99.99 111.075 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.664 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 84.8 mt 63.64 23.01 13.38 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.589 1.156 . . . . 99.99 112.427 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 -174.632 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.956 -0.386 . . . . 99.99 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -120.51 141.36 50.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.92 0.888 . . . . 99.99 109.595 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -80.87 167.77 19.52 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.797 0.439 . . . . 99.99 111.006 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 64.6 11.36 6.63 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.714 1.206 . . . . 99.99 111.741 -172.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.5 -174.89 4.48 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 106.618 -1.623 . . . . 99.99 106.618 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -117.38 -73.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.132 -1.432 . . . . 99.99 107.132 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 m 56.62 -75.33 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.938 1.695 . . . . 99.99 113.282 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 74.22 140.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.096 1.758 . . . . 99.99 109.961 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.562 ' HG2' ' HB ' ' E' ' 451' ' ' VAL . 0.5 OUTLIER -156.14 152.97 28.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.764 0.826 . . . . 99.99 109.722 -169.587 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -138.85 141.99 38.63 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.257 0.623 . . . . 99.99 110.618 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HB2' HG12 ' E' ' 451' ' ' VAL . 72.4 t80 -120.33 133.88 55.37 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.425 1.09 . . . . 99.99 108.819 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 -139.32 135.7 34.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.054 0.542 . . . . 99.99 110.161 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 HE22 HG12 ' A' ' 55' ' ' VAL . 47.3 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 99.99 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 34.4 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HB3' HG23 ' B' ' 122' ' ' THR . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 17.02 109.554 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 50.99 110.244 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.87 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 18.45 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 13.15 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 6.92 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 22.19 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 43.73 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HZ2' ' HB2' ' A' ' 71' ' ' GLU . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.517 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.754 ' HA ' HD22 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 63.88 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG23 ' HG ' ' E' ' 468' ' ' LEU . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 73.6 109.154 -175.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' H ' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 99.99 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 136' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.572 HG22 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 50.91 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 67.81 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 99.99 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 81.17 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 83' ' ' ILE . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.422 HG12 HE22 ' A' ' 14' ' ' GLN . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.23 106.608 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG13 ' HD3' ' A' ' 103' ' ' PRO . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 75.11 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 32.98 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 27.21 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 28.74 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 35.81 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.655 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 19.33 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.629 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 29.68 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 25.47 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 80.58 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.754 HD22 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 99.99 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.672 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 40.21 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 30.66 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 59.79 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD11 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 30.86 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.655 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 20.96 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.87 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HG3' HD23 ' A' ' 106' ' ' LEU . 8.6 tp-100 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 21.28 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.557 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 51' ' ' LEU . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 80.87 108.202 174.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.498 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t -118.37 115.41 24.63 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 1.7 mp -97.39 149.95 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 125.034 1.334 . . . . 99.99 108.399 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.56 144.8 20.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.284 0.634 . . . . 99.99 110.096 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.45 8.24 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 123.963 0.79 . . . . 99.99 114.705 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -130.96 177.2 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 123.704 0.802 . . . . 99.99 112.334 -166.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.653 ' HA ' ' SD ' ' A' ' 94' ' ' MET . 0.0 OUTLIER -149.08 179.66 7.71 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.194 0.997 . . . . 99.99 110.86 -171.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.39 -135.17 51.95 Favored Glycine 0 C--N 1.356 1.667 0 O-C-N 123.777 0.673 . . . . 99.99 114.324 170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -65.7 -23.67 66.82 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.491 0.716 . . . . 99.99 112.232 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -62.42 -56.05 21.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.653 ' SD ' ' HA ' ' A' ' 90' ' ' GLU . 13.5 ptm -77.99 -18.95 55.35 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.013 -0.539 . . . . 99.99 111.264 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.01 41.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.293 0.637 . . . . 99.99 112.414 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -91.58 -18.72 23.63 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 117.995 -1.002 . . . . 99.99 112.682 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.789 ' HB2' HG12 ' E' ' 452' ' ' VAL . 31.5 t -53.06 -40.39 63.97 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.943 0.878 . . . . 99.99 112.811 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.95 -10.32 59.52 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 113.435 -1.711 . . . . 99.99 112.793 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.572 ' HA2' HG22 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 99.99 114.204 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 99.99 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 79.06 114.271 -172.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' HG13 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 59.39 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 99.99 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 83.34 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.557 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 42.55 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 17.98 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 13.2 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 36.0 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 15.85 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.614 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 19.0 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 5.43 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 18.83 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 22.63 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 6.65 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 88.83 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 51.92 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 39.96 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 11.33 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.49 HG23 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 32.89 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.711 ' HA ' ' HZ3' ' E' ' 471' ' ' LYS . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 19.39 108.749 173.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.616 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 30.18 112.693 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 90.79 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 93.81 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' E' ' 138' ' ' TYR . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 77.99 111.124 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.614 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 85.02 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.551 HG12 HE22 ' C' ' 4' ' ' GLN . 18.0 m -101.08 135.45 37.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -82.45 64.91 7.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.012 0.925 . . . . 99.99 112.337 -167.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.527 ' O ' ' HG ' ' A' ' 136' ' ' LEU . 23.9 m-85 -60.71 -28.57 68.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.923 -0.485 . . . . 99.99 111.084 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.03 -28.95 64.93 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.773 0.829 . . . . 99.99 111.0 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' HB1' ' HZ ' ' E' ' 461' ' ' PHE . . . -82.27 -17.26 46.55 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 133' ' ' PHE . 4.2 pp -71.78 -20.61 61.84 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.268 0.94 . . . . 99.99 110.218 175.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.55 -27.47 69.28 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.272 0.629 . . . . 99.99 111.268 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 97.5 mmm -57.9 -26.39 62.1 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.156 0.583 . . . . 99.99 111.499 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.565 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 45.0 m-80 -55.88 -61.06 2.62 Favored 'General case' 0 C--N 1.364 1.198 0 O-C-N 123.535 0.522 . . . . 99.99 109.94 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -57.11 -31.58 65.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.215 0.947 . . . . 99.99 111.758 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.654 ' HG ' ' HG3' ' A' ' 142' ' ' GLN . 25.9 tp -68.93 -56.06 9.06 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 123.398 0.436 . . . . 99.99 111.396 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.654 ' HG3' ' HG ' ' A' ' 141' ' ' LEU . 57.8 mt-30 -157.63 -15.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 112.773 0.657 . . . . 99.99 112.773 -169.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.565 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 17.5 mm-40 -94.88 -17.23 22.23 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.563 0.949 . . . . 99.99 113.563 -165.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 139' ' ' ASN . 12.6 pt20 -85.55 -27.05 25.81 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.297 0.499 . . . . 99.99 110.139 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.2 150.94 1.21 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.975 1.31 . . . . 99.99 108.319 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 108.68 -113.48 3.79 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.69 -0.564 . . . . 99.99 111.69 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.52 -58.14 3.51 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.257 0.623 . . . . 99.99 110.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.63 82.25 0.37 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 110.624 -0.99 . . . . 99.99 110.624 -168.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 11.8 m -61.24 98.63 0.08 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.433 1.093 . . . . 99.99 111.098 -174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 59.98 28.76 18.33 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.267 1.427 . . . . 99.99 112.152 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 62.08 -86.81 0.02 OUTLIER 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.011 1.324 . . . . 99.99 110.496 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -139.31 -4.84 1.45 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.182 0.993 . . . . 99.99 110.181 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.16 142.46 27.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.364 1.066 . . . . 99.99 110.43 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -94.24 -18.19 21.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.503 0.721 . . . . 99.99 109.844 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.527 1.131 . . . . 99.99 109.604 -176.219 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HE2' ' HB3' ' B' ' 90' ' ' GLU . 42.5 ttm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.88 -0.415 . . . . 99.99 109.88 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' B' ' 147' ' ' GLU . 38.5 t -81.25 168.86 18.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.98 0.912 . . . . 99.99 111.209 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' HA ' ' HG2' ' B' ' 93' ' ' GLN . 3.9 tm-20 -81.01 -36.53 30.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.814 0.845 . . . . 99.99 109.427 170.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.403 ' HG2' ' OG ' ' B' ' 2' ' ' SER . 10.8 pt20 -83.46 -168.48 2.12 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.565 0.746 . . . . 99.99 110.947 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 71.2 100.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.399 1.479 . . . . 99.99 110.067 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 56.77 65.84 1.31 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.183 0.993 . . . . 99.99 110.366 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' E' ' 65' ' ' LYS . 23.2 p -79.08 87.13 4.86 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.372 -0.831 . . . . 99.99 109.291 177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' E' ' 64' ' ' ALA . 47.1 mt-10 -131.66 -62.46 0.86 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.584 -0.734 . . . . 99.99 110.271 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.606 ' HE2' ' HB ' ' B' ' 86' ' ' ILE . 24.1 ttt 62.43 -178.06 0.14 Allowed 'General case' 0 CA--C 1.564 1.491 0 O-C-N 124.103 0.877 . . . . 99.99 109.711 -171.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' B' ' 9' ' ' MET . 23.7 m -137.36 125.73 23.36 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 162.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.491 ' HE2' HG13 ' B' ' 13' ' ' ILE . 16.8 t80 -130.43 133.73 46.56 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 99.99 107.867 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 61.13 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 99.99 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.49 ' HE ' HG23 ' A' ' 122' ' ' THR . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 99.99 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.667 HD13 HD22 ' D' ' 127' ' ' ASN . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 22.84 107.438 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 25.35 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 18.25 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 41.37 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 15.07 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 29.37 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 11.41 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 27.88 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 51.27 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' B' ' 25' ' ' ALA . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' B' ' 71' ' ' GLU . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 99.99 110.345 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HA ' HD21 ' B' ' 68' ' ' LEU . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.487 HG13 HD12 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 99.89 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.781 ' HB2' ' HB1' ' E' ' 7' ' ' ALA . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 99.99 108.377 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' E' ' 7' ' ' ALA . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 99.99 110.021 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.739 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 89.58 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 50.34 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 99.99 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 44.59 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 98.19 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 93.17 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.542 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 98.7 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 99.99 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 85.08 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 32.75 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 89.85 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.739 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 99.99 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 30.69 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 50.25 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 114' ' ' ILE . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 27.1 109.494 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 27.69 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 28.91 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 82.69 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.513 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 84.99 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 91.81 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.507 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 39.53 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 37.29 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 21.12 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 29.86 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 13.61 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 13.23 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 36.68 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 12.8 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 51.05 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 99.99 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.546 ' HB3' HG21 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 99.23 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.606 ' HB ' ' HE2' ' B' ' 9' ' ' MET . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 99.99 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.599 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.462 ' HB3' ' HE2' ' B' ' 1' ' ' MET . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' B' ' 3' ' ' GLU . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.599 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.45 ' HB1' HD12 ' E' ' 13' ' ' LEU . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.595 ' SG ' ' HE3' ' B' ' 9' ' ' MET . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.473 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 99.37 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 67.76 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 81.59 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 55.65 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 48.03 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 99.99 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 59.06 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 27.15 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.411 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 18.14 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 25.24 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 18.19 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 76.84 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.63 ' SG ' HD13 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 28.75 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 30.1 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 17.12 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.81 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.462 ' HE3' HG21 ' A' ' 21' ' ' ILE . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 50.71 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 23.64 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 49.99 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 17' ' ' TYR . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 33.79 112.382 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 28.26 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 39.05 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 99.99 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 99.99 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.543 HD22 ' H ' ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 64.44 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.411 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 75.43 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.44 ' H ' ' HG ' ' E' ' 8' ' ' LEU . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.99 111.067 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -76.56 79.62 3.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -90.31 -10.5 43.89 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 115.661 -0.7 . . . . 99.99 110.017 164.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.567 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 8.4 t70 -57.32 -37.5 72.61 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.818 1.647 . . . . 99.99 112.336 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.37 69.63 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.013 0.821 . . . . 99.99 110.936 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.47 -35.65 76.4 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.263 1.025 . . . . 99.99 110.489 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -43.03 99.91 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.49 0.716 . . . . 99.99 110.349 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.04 -34.02 44.19 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.679 0.392 . . . . 99.99 111.833 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -73.4 -33.19 64.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.423 0.289 . . . . 99.99 110.434 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.16 -47.8 82.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.663 0.602 . . . . 99.99 109.673 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' B' ' 144' ' ' GLN . 97.6 mt -83.61 -3.29 57.58 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.45 -0.795 . . . . 99.99 112.154 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -74.19 -47.73 33.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.029 0.531 . . . . 99.99 110.217 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -84.15 -36.47 22.86 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.017 -0.538 . . . . 99.99 110.465 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' B' ' 141' ' ' LEU . 7.9 tp60 -61.73 -25.65 67.57 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.448 0.699 . . . . 99.99 111.205 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.1 115.0 4.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.625 0.77 . . . . 99.99 111.029 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.25 -49.41 57.43 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.934 0.771 . . . . 99.99 112.68 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' B' ' 2' ' ' SER . 3.5 mp0 -72.22 94.46 1.57 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.95 -0.759 . . . . 99.99 108.95 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -167.49 49.64 0.24 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.547 -1.021 . . . . 99.99 110.547 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.2 m -66.27 -30.37 70.78 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.912 0.885 . . . . 99.99 111.98 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 69.42 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.86 1.264 . . . . 99.99 110.035 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -120.04 -45.74 2.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.307 1.043 . . . . 99.99 108.963 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -111.63 -64.78 1.24 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 106.807 -1.553 . . . . 99.99 106.807 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -142.48 -55.19 0.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 105.344 -2.095 . . . . 99.99 105.344 157.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -152.88 -56.79 0.13 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 99.99 107.262 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.801 -1.091 . . . . 99.99 109.111 171.22 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.563 ' HG3' ' HB ' ' E' ' 389' ' ' THR . 77.5 mtp . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.61 7.46 1.89 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.689 1.196 . . . . 99.99 113.67 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 58.01 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.073 1.349 . . . . 99.99 112.168 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . 0.551 HE22 HG12 ' A' ' 131' ' ' VAL . 16.9 mm-40 70.93 -88.06 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.354 1.462 . . . . 99.99 109.227 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 36.37 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.322 1.449 . . . . 99.99 113.702 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -65.04 81.93 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.781 1.232 . . . . 99.99 109.883 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -167.12 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.536 2.335 . . . . 99.99 106.342 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 67.22 159.8 0.15 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 126.675 1.99 . . . . 99.99 111.626 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.3 136.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.866 1.267 . . . . 99.99 112.404 177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 93.5 m -84.32 99.18 10.44 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.716 -0.615 . . . . 99.99 109.998 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.44 ' HB2' ' HB1' ' E' ' 141' ' ' ALA . 55.1 m-85 -124.62 138.43 54.31 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 166.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.437 ' HA ' ' HD2' ' E' ' 138' ' ' TYR . 9.1 tm0? -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 82.71 108.12 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.555 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 30.7 mm-40 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 99.99 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 17.72 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 9.52 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 51.3 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 13.13 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 15.89 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 10.19 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 26.52 108.263 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 43.6 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 57.64 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.585 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 78.76 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.498 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.585 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 99.99 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.64 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 72.29 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.581 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 99.99 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.439 ' H ' ' HA ' ' E' ' 289' ' ' ARG . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 99.99 108.765 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.632 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' E' ' 285' ' ' ASN . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 99.99 108.255 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 90.89 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 55.92 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' E' ' 275' ' ' LYS . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 78.18 110.312 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 57.25 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.475 ' HB2' HG11 ' C' ' 55' ' ' VAL . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.409 ' HB2' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 99.99 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 97.58 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 43.88 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 30.1 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 99.67 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 31.81 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.79 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 29.1 108.657 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 36.6 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 38.08 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 65.72 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 99.99 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 83.21 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 40.89 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 38.89 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.558 ' HD2' ' HH ' ' E' ' 297' ' ' TYR . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 66.65 111.815 175.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.406 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 32.91 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 14.84 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 26.52 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 7.9 tp-100 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 12.17 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.512 ' HA3' HD22 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 39.17 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' C' ' 10' ' ' THR . 2.5 tp -131.34 128.36 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.5 173.51 14.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.739 1.215 . . . . 99.99 110.57 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.01 -60.33 0.34 Allowed Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.899 -0.591 . . . . 99.99 114.555 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.488 HG21 ' HE1' ' E' ' 147' ' ' HIS . 1.1 pp -125.79 168.15 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.544 0.737 . . . . 99.99 111.083 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -155.03 152.07 29.19 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.695 -1.139 . . . . 99.99 108.365 -174.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.3 -136.37 13.19 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-O 119.577 -0.568 . . . . 99.99 113.106 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.449 ' HA ' HD21 ' E' ' 265' ' ' LEU . 40.5 p -61.37 -49.89 75.12 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.623 0.769 . . . . 99.99 111.827 -174.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -50.43 69.54 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.93 0.892 . . . . 99.99 110.059 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -47.14 79.77 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 114.662 -1.154 . . . . 99.99 110.881 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.08 77.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.475 0.71 . . . . 99.99 112.311 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -73.06 -25.63 60.99 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 122.355 -0.215 . . . . 99.99 111.469 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.06 -40.02 20.44 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.181 0.593 . . . . 99.99 110.716 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' E' ' 280' ' ' LEU . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 81.7 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 68.22 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 85.73 113.053 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.443 ' HG3' ' HZ ' ' E' ' 281' ' ' PHE . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 52.77 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.481 HD13 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 18.22 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.512 HD22 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 62.78 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 20.21 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 17.97 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 10.09 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 18.56 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 31.03 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 26.09 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.482 HD11 ' HB ' ' C' ' 62' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 21.24 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' THR . . . . . 0.47 HG22 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 14.3 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 10.17 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.577 ' HA ' ' HD2' ' C' ' 120' ' ' ARG . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 12.08 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 54.79 110.124 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 23.93 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.453 HG22 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 27.3 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 36.76 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 44.0 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.47 ' HB3' HG22 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 92.07 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 43.42 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 64.09 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 45.54 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.45 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 40.22 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 98.11 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -65.24 -27.31 68.57 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.69 -47.82 83.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.552 0.741 . . . . 99.99 109.703 175.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.89 -29.16 61.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.434 1.094 . . . . 99.99 111.649 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.586 HD22 HG21 ' E' ' 288' ' ' VAL . 1.2 tt -63.72 -30.99 72.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.202 1.001 . . . . 99.99 110.216 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.38 -32.93 71.76 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.104 0.562 . . . . 99.99 110.647 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.6 -39.16 46.43 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.045 0.938 . . . . 99.99 110.843 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -54.21 -32.28 55.35 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.236 1.014 . . . . 99.99 112.592 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -42.66 -82.02 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.849 1.26 . . . . 99.99 111.933 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' E' ' 262' ' ' ALA . 41.9 tp -82.9 74.26 9.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 122.351 1.072 . . . . 99.99 109.415 174.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.22 -22.3 5.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.268 -1.333 . . . . 99.99 108.682 172.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 73.05 138.62 0.05 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.705 1.602 . . . . 99.99 110.143 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 17.4 pm0 -84.94 141.2 30.54 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.892 0.877 . . . . 99.99 110.882 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.09 30.58 0.76 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.681 0.792 . . . . 99.99 111.456 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.81 -39.73 2.78 Favored Glycine 0 C--N 1.35 1.309 0 N-CA-C 112.202 -0.359 . . . . 99.99 112.202 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 65.71 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.544 1.538 . . . . 99.99 111.925 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.62 164.35 34.03 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.475 -0.25 . . . . 99.99 112.475 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.0 t -153.5 43.37 0.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.828 1.251 . . . . 99.99 107.655 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.59 -34.77 69.58 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.486 -1.234 . . . . 99.99 111.835 -172.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.98 139.34 50.0 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -161.56 122.17 2.69 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.216 1.406 . . . . 99.99 107.444 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -63.01 -66.79 0.49 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.369 0.667 . . . . 99.99 112.196 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -103.13 -51.73 3.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.19 0.596 . . . . 99.99 110.445 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.7 0.8 . . . . 99.99 109.142 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.541 ' H3 ' ' HB3' ' E' ' 83' ' ' ALA . 13.3 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 45.43 -91.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 125.416 1.486 . . . . 99.99 113.033 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.688 ' HG3' ' HG3' ' D' ' 93' ' ' GLN . 3.9 mp0 -102.82 63.61 0.84 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.935 0.894 . . . . 99.99 109.383 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 54.21 83.41 0.08 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.111 1.364 . . . . 99.99 111.696 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.09 70.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.027 0.931 . . . . 99.99 110.284 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -77.4 109.05 10.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 121.274 0.559 . . . . 99.99 110.325 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' THR . . . . . 0.468 ' HB ' ' HA2' ' D' ' 88' ' ' GLY . 35.7 m -77.39 66.16 3.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.761 1.224 . . . . 99.99 109.905 175.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' E' ' 87' ' ' ALA . 27.0 mm-40 42.43 61.19 2.1 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.427 1.491 . . . . 99.99 112.11 -174.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.537 ' HE1' HD11 ' D' ' 89' ' ' ILE . 25.5 ttt -31.41 124.38 0.24 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.182 1.393 . . . . 99.99 113.924 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -119.28 138.91 52.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.405 ' CE2' ' SG ' ' D' ' 102' ' ' CYS . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 79.57 108.377 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.51 HD12 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 99.99 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 81.0 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.453 ' HB3' HG22 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 28.79 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 14.92 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 58.5 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.556 HG23 ' HE1' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 14.63 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 15.53 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.517 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 6.05 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 14.28 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 16.78 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 22.87 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 21.13 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 30.2 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 64.18 110.973 -170.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.453 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.61 ' HA ' HE21 ' D' ' 33' ' ' GLN . 0.0 OUTLIER -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 34.41 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 54.02 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . 0.451 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 34.31 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . 0.631 ' HG3' HD23 ' E' ' 321' ' ' LEU . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.46 HG23 HD11 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 83.42 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 99.99 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.431 HD22 HD13 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 97.22 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 62.54 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 55.71 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 61.91 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.99 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 93.38 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.425 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 99.99 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . 0.476 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 71.26 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.504 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 36.06 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.431 HD13 HD22 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 79.92 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 22.5 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 23.18 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 24.43 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 32.61 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 25.12 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 49.15 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 32.34 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 33.15 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 19.1 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 12.32 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 8.66 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 19.44 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.495 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 10.02 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 29.4 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.458 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.3 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 65.32 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 99.99 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 99.99 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' D' ' 7' ' ' THR . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.537 HD11 ' HE1' ' D' ' 9' ' ' MET . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.688 ' HG3' ' HG3' ' D' ' 3' ' ' GLU . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 99.99 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.514 ' SG ' ' HE3' ' D' ' 9' ' ' MET . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 99.99 111.796 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.672 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 70.12 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 64.46 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 46.86 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 45.41 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 38.42 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 87.71 111.521 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.51 HG21 HD12 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 35.35 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.458 HD11 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 21.86 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 12.38 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 8.42 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 15.0 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 17.35 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 12.17 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.56 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.426 ' O ' HG22 ' D' ' 118' ' ' VAL . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 19.17 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 19.58 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 14.23 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 6.04 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 19.19 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 119' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 16.36 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 7.12 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 35.79 111.595 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 27.88 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 17.97 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.46 HD11 HG23 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 33.77 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.667 HD22 HD13 ' B' ' 16' ' ' ILE . 7.9 t-20 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 99.99 108.05 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 35.86 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.417 ' HB2' HE21 ' E' ' 313' ' ' GLN . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 48.78 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.428 ' HG3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 48.18 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.677 HG21 HG22 ' E' ' 121' ' ' VAL . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 95.86 110.935 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.58 ' HD2' HD21 ' E' ' 111' ' ' LEU . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -59.39 -44.85 92.72 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.33 -29.6 68.38 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.145 0.978 . . . . 99.99 110.081 -176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.41 HD21 ' HZ1' ' E' ' 113' ' ' LYS . 58.1 tp -68.56 -43.8 75.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.275 1.03 . . . . 99.99 110.523 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.69 -45.63 85.82 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.817 0.847 . . . . 99.99 110.406 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.409 ' HA ' HD22 ' D' ' 141' ' ' LEU . 76.2 mtm -74.35 -18.59 60.66 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.064 -0.971 . . . . 99.99 111.365 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.7 -24.26 59.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.442 0.697 . . . . 99.99 110.524 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.73 -22.41 66.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.522 0.329 . . . . 99.99 111.821 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' D' ' 138' ' ' MET . 4.0 mm? -66.94 -44.98 79.22 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.248 0.619 . . . . 99.99 110.095 173.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -92.53 30.78 1.45 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.923 0.889 . . . . 99.99 111.785 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -118.16 100.07 7.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.248 0.619 . . . . 99.99 110.61 -167.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.09 95.03 3.03 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.56 69.66 0.7 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.687 1.195 . . . . 99.99 109.055 -166.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.96 -161.31 40.92 Favored Glycine 0 C--N 1.353 1.477 0 CA-C-N 115.45 -0.796 . . . . 99.99 111.506 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.69 83.55 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.112 -1.44 . . . . 99.99 107.112 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 74.87 -21.57 1.6 Allowed Glycine 0 CA--C 1.541 1.669 0 N-CA-C 115.355 0.902 . . . . 99.99 115.355 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 12.8 t -79.06 -33.82 44.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.932 0.893 . . . . 99.99 111.35 -172.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.51 154.06 28.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.902 0.881 . . . . 99.99 110.019 -173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.08 -177.21 5.69 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.619 1.167 . . . . 99.99 108.243 167.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 69.34 116.9 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.275 1.03 . . . . 99.99 111.518 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.37 174.44 8.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.297 0.639 . . . . 99.99 111.305 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.49 81.05 0.57 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.25 0.62 . . . . 99.99 109.365 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.418 -0.81 . . . . 99.99 109.397 -178.264 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.484 ' HG2' ' HD3' ' E' ' 304' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -114.45 98.29 6.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.405 1.082 . . . . 99.99 109.101 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -128.63 120.82 27.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.155 0.582 . . . . 99.99 109.612 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 72.1 p -90.16 28.65 1.37 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.639 0.776 . . . . 99.99 111.804 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 17.7 m -142.68 22.36 1.97 Allowed 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.854 0.862 . . . . 99.99 109.196 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tp -137.77 150.43 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.465 -0.772 . . . . 99.99 111.319 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.781 ' HB1' ' HB2' ' B' ' 42' ' ' LEU . . . -85.34 -149.06 0.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.421 1.088 . . . . 99.99 109.949 172.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' B' ' 131' ' ' VAL . 3.2 mm? 65.19 26.96 12.33 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.179 0.991 . . . . 99.99 110.476 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.46 45.57 1.29 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.367 1.067 . . . . 99.99 111.624 -172.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp 65.06 153.04 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.563 1.545 . . . . 99.99 112.36 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.412 HD13 HD22 ' B' ' 44' ' ' LEU . 2.5 mm? -118.78 151.64 50.38 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.532 0.733 . . . . 99.99 109.829 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.81 -78.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.195 2.597 . . . . 99.99 114.175 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.45 HD12 ' HB1' ' B' ' 95' ' ' ALA . 38.9 tp -138.96 -30.12 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.497 0.719 . . . . 99.99 110.357 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp 58.86 -83.85 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.953 1.701 . . . . 99.99 112.458 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.76 143.18 50.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.205 1.002 . . . . 99.99 108.561 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -125.96 -46.99 0.04 OUTLIER Pre-proline 0 CA--C 1.573 1.832 0 N-CA-C 114.323 1.231 . . . . 99.99 114.323 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.0 100.86 1.45 Allowed 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-N 121.984 1.744 . . . . 99.99 111.483 -172.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 86' ' ' ILE . 6.5 p -170.46 114.84 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 123.421 0.688 . . . . 99.99 110.217 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 54.0 p -124.38 -103.25 0.37 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.189 -1.862 . . . . 99.99 110.433 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -29.88 97.33 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.353 0 C-N-CA 125.598 1.559 . . . . 99.99 113.436 -168.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.23 34.79 1.11 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.965 1.098 . . . . 99.99 113.965 -162.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -157.11 130.82 8.12 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.442 -0.577 . . . . 99.99 109.442 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 38.7 m -82.07 115.03 55.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.446 0.698 . . . . 99.99 109.267 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.72 167.42 26.39 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.659 2.239 . . . . 99.99 111.818 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 66.64 19.34 10.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.714 1.206 . . . . 99.99 111.767 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.01 112.84 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.581 1.552 . . . . 99.99 112.632 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.538 ' HA ' ' HB3' ' E' ' 408' ' ' LEU . 73.4 Cg_endo -74.65 -169.64 0.64 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.792 2.328 . . . . 99.99 111.783 170.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.411 HG12 ' HG ' ' E' ' 408' ' ' LEU . 12.7 m -65.72 82.32 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 CA-C-O 122.384 1.088 . . . . 99.99 111.481 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -125.44 -58.63 1.42 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.473 1.109 . . . . 99.99 108.117 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' E' ' 32' ' ' ARG . 15.7 pt-20 -89.87 147.33 23.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.678 -1.146 . . . . 99.99 110.334 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -85.55 68.41 10.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.831 0.852 . . . . 99.99 109.065 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . 0.457 ' HB2' ' HG3' ' E' ' 30' ' ' GLU . 15.2 ttt180 -90.38 41.35 1.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.422 1.089 . . . . 99.99 109.649 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.25 77.27 2.37 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.057 0.943 . . . . 99.99 109.703 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.28 -50.94 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.826 1.25 . . . . 99.99 108.63 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -148.02 144.44 27.94 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.122 0.969 . . . . 99.99 109.825 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.12 93.71 0.97 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 110.722 -0.951 . . . . 99.99 110.722 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -74.76 141.93 44.36 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.417 -0.957 . . . . 99.99 108.417 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.12 78.66 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 121.322 0.582 . . . . 99.99 110.303 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t 49.42 20.94 0.51 Allowed 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 126.82 2.048 . . . . 99.99 115.928 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 -46.07 2.06 Favored Pre-proline 0 CA--C 1.566 1.579 0 N-CA-C 112.325 0.491 . . . . 99.99 112.325 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -104.02 -147.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.51 2.806 . . . . 99.99 111.659 175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.18 -41.44 2.14 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.818 -0.513 . . . . 99.99 111.818 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.36 75.87 0.44 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 -175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.3 7.37 4.37 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.984 0.914 . . . . 99.99 113.147 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 70.32 -71.16 0.13 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.514 1.526 . . . . 99.99 111.105 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 77.21 -33.16 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.45 1.5 . . . . 99.99 113.476 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.42 125.16 20.76 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.886 0.874 . . . . 99.99 108.732 165.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 3.6 t 53.52 20.85 2.23 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 126.006 1.722 . . . . 99.99 113.263 -172.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.73 44.19 1.06 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.982 -0.847 . . . . 99.99 110.982 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 160.59 25.34 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.751 0.821 . . . . 99.99 110.807 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.28 -30.97 70.8 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.775 0.83 . . . . 99.99 111.154 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -66.73 -42.44 86.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.765 0.826 . . . . 99.99 110.544 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.31 68.77 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.393 -0.821 . . . . 99.99 111.364 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.94 82.51 0.11 Allowed 'General case' 0 C--N 1.36 1.045 0 O-C-N 124.599 1.187 . . . . 99.99 110.034 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.73 1.14 0.92 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.824 1.416 . . . . 99.99 114.824 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 72.47 167.23 0.31 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.337 1.455 . . . . 99.99 111.837 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.69 -72.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.206 -1.035 . . . . 99.99 108.206 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -152.85 -63.37 0.16 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.803 -0.814 . . . . 99.99 108.803 175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.57 -172.88 3.48 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.393 0.677 . . . . 99.99 110.448 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 22.9 m -63.98 129.27 39.38 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.354 0.662 . . . . 99.99 110.219 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.76 95.89 1.55 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 141.48 26.26 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.459 1.504 . . . . 99.99 114.419 -171.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -84.16 1.82 8.53 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.137 2.558 . . . . 99.99 111.91 170.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' B' ' 8' ' ' GLU . . . -60.1 125.86 25.29 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.018 0.927 . . . . 99.99 110.191 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 89' ' ' ILE . 0.0 OUTLIER -120.86 176.3 5.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.321 0.648 . . . . 99.99 110.756 -169.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 57.01 112.61 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.132 1.773 . . . . 99.99 112.713 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.401 HD12 ' CD1' ' B' ' 11' ' ' PHE . 5.2 tt -55.01 112.69 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 C-N-CA 124.644 1.178 . . . . 99.99 112.629 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 tt -91.82 -34.78 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.123 0.569 . . . . 99.99 110.348 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.93 92.89 0.03 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.824 1.25 . . . . 99.99 110.962 -166.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 31.1 tp -150.78 134.18 16.29 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.26 -0.645 . . . . 99.99 109.26 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.95 -52.95 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.842 0.857 . . . . 99.99 109.607 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.28 -133.1 2.5 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.559 -1.416 . . . . 99.99 109.559 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.64 150.81 0.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.495 1.118 . . . . 99.99 111.893 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.68 41.7 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.792 -0.64 . . . . 99.99 111.987 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.2 146.11 54.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.009 0.924 . . . . 99.99 110.556 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.74 105.42 0.66 Allowed Glycine 0 C--N 1.352 1.465 0 N-CA-C 111.129 -0.788 . . . . 99.99 111.129 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.6 154.8 3.42 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.075 1.35 . . . . 99.99 112.601 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 41.4 m -62.76 -16.12 56.39 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.844 1.258 . . . . 99.99 113.744 -170.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.0 -15.88 57.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.636 1.174 . . . . 99.99 113.079 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.16 -53.02 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.053 0.541 . . . . 99.99 109.633 169.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.488 HG22 ' HB1' ' E' ' 83' ' ' ALA . 38.1 m 65.88 120.28 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.438 1.495 . . . . 99.99 111.722 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.02 -57.65 11.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.767 0.827 . . . . 99.99 110.408 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.541 ' HB3' ' H3 ' ' D' ' 1' ' ' MET . . . 50.16 100.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.544 1.537 . . . . 99.99 113.614 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -62.56 156.83 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.811 0.845 . . . . 99.99 111.516 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.39 -89.89 0.29 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.404 0.681 . . . . 99.99 109.895 -174.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 3.1 p90 179.2 173.48 0.79 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.148 1.779 . . . . 99.99 107.982 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' D' ' 8' ' ' GLU . . . -150.13 106.27 3.46 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.24 0.459 . . . . 99.99 112.24 -172.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.6 114.2 26.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.912 0.885 . . . . 99.99 109.768 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' E' ' 94' ' ' PHE . . . -65.8 -30.39 77.11 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 124.353 1.033 . . . . 99.99 113.693 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.61 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.99 1.316 . . . . 99.99 111.701 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.54 98.74 0.13 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.196 -0.762 . . . . 99.99 111.196 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 -64.43 4.29 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.361 -0.696 . . . . 99.99 111.361 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -108.16 160.36 15.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.629 0.772 . . . . 99.99 109.459 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . 0.461 ' HB2' ' HB2' ' D' ' 87' ' ' ALA . 44.3 m-85 -100.33 -172.38 2.2 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.656 0.782 . . . . 99.99 110.44 -173.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 137.87 54.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.731 0.812 . . . . 99.99 111.415 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.6 -56.55 0.13 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.306 -0.861 . . . . 99.99 111.133 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' D' ' 54' ' ' ASP . 47.8 mt -88.07 144.92 8.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 124.195 0.998 . . . . 99.99 111.077 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -106.16 -71.37 0.75 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.708 0.803 . . . . 99.99 109.183 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.91 125.16 34.34 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 123.762 0.825 . . . . 99.99 109.679 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.31 49.87 0.73 Allowed Pre-proline 0 CA--C 1.57 1.741 0 N-CA-C 113.238 0.829 . . . . 99.99 113.238 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -90.41 5.41 4.33 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.077 1.851 . . . . 99.99 112.779 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt 64.08 98.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.4 1.48 . . . . 99.99 109.588 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 76.4 p 53.19 46.52 26.38 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.328 1.451 . . . . 99.99 112.773 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.66 -60.33 4.24 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.876 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . 0.408 ' HG2' ' HD2' ' E' ' 106' ' ' TYR . 62.5 tt0 175.48 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.934 1.293 . . . . 99.99 107.785 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . 0.408 ' HD2' ' HG2' ' E' ' 105' ' ' GLN . 82.3 m-85 65.36 151.55 0.05 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.575 1.15 . . . . 99.99 110.935 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -89.76 136.62 32.93 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.514 -0.741 . . . . 99.99 110.368 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -66.59 -26.4 67.08 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.717 0.807 . . . . 99.99 110.92 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -52.39 -48.54 65.57 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.876 0.735 . . . . 99.99 110.095 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 57.19 19.76 5.13 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 124.975 1.422 . . . . 99.99 111.327 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' D' ' 133' ' ' PHE . 7.6 mp 52.28 33.46 12.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.851 1.66 . . . . 99.99 113.355 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.36 97.19 1.99 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.305 0.642 . . . . 99.99 110.704 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . 0.447 ' HB3' ' HZ3' ' E' ' 113' ' ' LYS . 7.0 ttpm? -103.83 -18.99 14.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.177 0.991 . . . . 99.99 110.702 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 73.56 103.08 0.07 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.387 1.475 . . . . 99.99 109.863 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -63.88 101.67 0.4 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.92 0.888 . . . . 99.99 111.392 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.24 -44.46 0.04 OUTLIER Glycine 0 C--N 1.339 0.721 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.283 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 119.67 73.23 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.994 0.918 . . . . 99.99 109.455 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.56 93.83 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.162 2.574 . . . . 99.99 110.063 172.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -133.2 -153.56 0.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 108.674 -0.862 . . . . 99.99 108.674 -170.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -62.88 130.51 45.14 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 118.608 0.64 . . . . 99.99 109.708 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.677 HG22 HG21 ' D' ' 131' ' ' VAL . 45.3 t 63.4 81.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 124.543 1.137 . . . . 99.99 110.145 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 90.5 m -142.57 106.93 4.77 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.217 -1.401 . . . . 99.99 107.217 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . 0.447 ' HA ' HE22 ' E' ' 313' ' ' GLN . 26.4 t70 -81.66 106.92 13.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.976 0.511 . . . . 99.99 110.633 -174.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -144.35 68.52 1.26 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.184 -1.043 . . . . 99.99 108.184 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -152.99 175.0 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.868 -1.06 . . . . 99.99 110.763 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 62.27 50.86 3.66 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.375 1.07 . . . . 99.99 111.148 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -60.96 98.51 0.07 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.314 1.045 . . . . 99.99 111.792 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . . . -97.81 -170.74 2.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.084 0.954 . . . . 99.95 111.661 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.457 HG22 ' HA ' ' E' ' 471' ' ' LYS . 32.6 p -135.49 151.61 50.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.498 0.719 . . . . 99.99 112.064 -172.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.616 ' HA ' ' HA ' ' A' ' 124' ' ' PRO . . . -154.03 -176.03 5.66 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.425 1.09 . . . . 99.99 110.11 173.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 59.54 -97.04 0.07 Allowed 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.894 1.278 . . . . 99.99 111.562 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.2 m 56.95 -77.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.26 1.424 . . . . 99.99 112.222 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 16.3 m -88.62 88.65 7.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.075 0.95 . . . . 99.99 110.075 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.94 158.07 53.47 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.314 -0.857 . . . . 99.66 111.937 171.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.428 HG12 HE22 ' C' ' 12' ' ' GLN . 16.0 t -101.03 126.69 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 5.51 0.47 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.911 0.884 . . . . 99.99 111.422 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 17.8 p -119.53 73.15 0.94 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.386 0.674 . . . . 99.99 110.835 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.608 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 45.2 t80 -168.25 137.87 2.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.137 -0.938 . . . . 99.99 109.354 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -144.32 148.96 35.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 172.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.69 -167.37 33.56 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.241 0.338 . . . . 99.99 112.756 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' C' ' 11' ' ' PHE . . . -158.94 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.366 0.666 . . . . 99.99 110.737 171.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 45.8 tp -170.01 101.66 0.3 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.536 -0.913 . . . . 99.99 108.536 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.23 163.21 33.91 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 110.703 -0.959 . . . . 99.99 110.703 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.722 ' HB ' ' HB3' ' E' ' 448' ' ' ALA . 21.9 t -121.85 85.41 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -146.38 112.04 5.6 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 106.927 -1.509 . . . . 99.99 106.927 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . 0.559 HD12 ' HD2' ' E' ' 379' ' ' LYS . 13.0 pt -62.33 89.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 O-C-N 124.919 1.387 . . . . 99.99 112.857 -164.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.488 ' HE1' HG21 ' C' ' 89' ' ' ILE . 25.8 m170 -131.98 105.06 7.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.521 1.528 . . . . 99.99 108.635 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.05 -44.72 68.59 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.529 ' HG2' ' HB ' ' E' ' 435' ' ' THR . 3.8 mptt -139.37 126.81 21.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.683 0.793 . . . . 99.99 109.374 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -128.29 122.64 32.13 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.479 0.711 . . . . 99.99 109.749 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 5.9 t60 176.4 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.955 0 C-N-CA 124.755 1.222 . . . . 99.99 110.414 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.49 -8.76 19.76 Favored 'Trans proline' 0 C--N 1.402 3.391 0 C-N-CA 122.254 1.97 . . . . 99.99 112.26 -171.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 80.8 p -75.02 -47.93 26.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.43 1.492 . . . . 99.99 110.968 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -82.51 -18.13 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.757 -0.656 . . . . 99.99 110.916 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.2 -40.35 67.92 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.258 1.023 . . . . 99.99 110.642 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.86 -41.34 91.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.993 0.517 . . . . 99.99 111.826 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 16.5 tpt -173.89 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.459 -1.312 . . . . 99.99 107.459 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 166.32 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.92 1.688 . . . . 99.99 109.424 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' E' ' 160' ' ' ALA . 0.0 OUTLIER -61.93 -36.45 81.4 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.105 0.962 . . . . 99.99 113.249 -172.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . 0.463 ' N ' ' HD2' ' E' ' 159' ' ' LYS . . . -81.96 -25.58 34.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.564 0.346 . . . . 99.99 110.58 -177.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.34 83.81 0.38 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.532 0.733 . . . . 99.99 110.974 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' E' ' 358' ' ' CYS . . . 78.49 -81.64 1.34 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.547 -0.752 . . . . 99.99 113.888 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 60.13 -80.89 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.175 1.39 . . . . 99.99 110.339 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 57.96 -91.89 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.344 1.458 . . . . 99.99 110.865 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 4.2 m 51.1 33.91 10.06 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.54 1.136 . . . . 99.99 111.33 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -124.2 16.81 7.6 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.269 -0.878 . . . . 99.99 112.703 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -76.42 94.95 3.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.441 0.697 . . . . 99.99 109.361 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 63.3 t -77.77 -59.24 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.594 0.757 . . . . 99.99 110.746 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.3 p -67.45 110.53 3.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.8 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 65.6 m -139.19 106.73 5.57 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.292 1.037 . . . . 99.99 108.682 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -140.34 176.78 8.49 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.931 0.892 . . . . 99.99 110.02 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -78.76 83.43 4.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.553 0.741 . . . . 99.99 109.956 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.43 -18.26 65.03 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.076 0.95 . . . . 99.99 111.286 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -79.86 158.77 26.65 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 99.99 110.33 172.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -160.06 -70.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.356 1.062 . . . . 99.99 108.445 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 57.26 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.345 1.458 . . . . 99.99 110.768 -172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 121.29 81.07 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 124.076 0.951 . . . . 99.99 109.497 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -42.93 -51.52 5.38 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 124.963 3.775 . . . . 99.99 116.217 -169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -163.36 81.26 0.46 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.023 -0.732 . . . . 99.99 109.023 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 66.14 5.47 3.61 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.481 1.113 . . . . 99.99 113.318 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.44 118.83 30.23 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.237 -0.653 . . . . 99.99 109.237 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.74 144.51 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.073 0.549 . . . . 99.99 110.308 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.84 104.15 1.03 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.68 0.792 . . . . 99.99 109.292 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 81.5 t60 64.92 114.2 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.885 1.274 . . . . 99.99 111.177 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 13.1 p -85.02 150.11 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 123.75 0.82 . . . . 99.99 109.125 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 27.4 m -71.3 -37.27 71.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.963 0.505 . . . . 99.99 109.658 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 88.2 p 55.06 20.03 3.06 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.035 1.734 . . . . 99.99 113.342 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 58.72 -78.87 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.234 1.414 . . . . 99.99 111.747 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 66.16 106.89 0.04 OUTLIER 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.545 1.538 . . . . 99.99 110.987 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 70.8 m -140.27 138.51 35.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.557 0.743 . . . . 99.99 109.779 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -113.78 118.56 34.63 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.607 0.763 . . . . 99.99 109.116 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.44 65.77 2.61 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.039 -0.867 . . . . 99.99 112.414 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.36 94.17 0.2 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.933 2.422 . . . . 99.99 112.438 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 40.9 m 63.52 18.52 11.13 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.885 1.274 . . . . 99.99 112.228 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -85.83 -76.04 0.35 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.502 0.721 . . . . 99.99 109.852 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 26.9 m 73.09 -28.0 0.19 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.627 1.343 . . . . 99.99 114.627 168.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 17.0 m 60.01 47.06 10.16 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.404 1.082 . . . . 99.99 109.249 -165.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.25 64.98 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.556 -0.747 . . . . 99.99 110.78 -175.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -154.18 133.06 12.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.563 1.545 . . . . 99.99 107.02 171.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.32 -45.5 90.05 Favored Pre-proline 0 CA--C 1.556 1.203 0 O-C-N 123.713 0.633 . . . . 99.99 110.725 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -81.25 107.07 1.81 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 120.283 1.137 . . . . 99.99 109.895 161.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -82.4 57.91 4.99 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 116.179 -0.464 . . . . 99.99 113.185 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.44 72.54 0.52 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.064 1.346 . . . . 99.99 111.684 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -17.86 54.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.478 0.711 . . . . 99.99 111.221 173.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 3.7 pp 43.53 35.29 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 126.453 1.901 . . . . 99.99 113.366 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 54.49 53.41 10.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.772 1.629 . . . . 99.99 111.163 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 77.9 -49.19 0.49 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.506 1.522 . . . . 99.99 112.714 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.43 -12.41 2.25 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.342 -0.703 . . . . 99.99 111.342 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 78.17 156.5 8.94 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 111.85 -0.5 . . . . 99.99 111.85 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.01 -29.54 66.63 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.127 0.463 . . . . 99.99 111.014 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 84.74 24.7 44.74 Favored Glycine 0 C--N 1.342 0.9 0 N-CA-C 110.499 -1.04 . . . . 99.99 110.499 -169.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 40.4 p -81.27 176.06 10.07 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.758 0.823 . . . . 99.99 111.944 -172.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 15.8 pt -56.91 142.74 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.426 -1.261 . . . . 99.99 110.767 172.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 214' ' ' THR . . . . . 0.525 ' HA ' ' HB3' ' E' ' 217' ' ' LEU . 11.3 t 46.44 37.77 4.66 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.08 1.752 . . . . 99.99 113.849 175.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -61.02 1.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.995 -0.742 . . . . 99.99 108.995 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -90.76 -43.53 10.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.525 ' HB3' ' HA ' ' E' ' 214' ' ' THR . 0.7 OUTLIER 44.03 28.58 0.27 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 126.53 1.932 . . . . 99.99 113.786 -178.362 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 3.3 pp 42.6 26.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.632 1.973 . . . . 99.99 114.17 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -76.36 -29.28 57.15 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.18 0.592 . . . . 99.99 111.311 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.6 18.76 11.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.209 1.004 . . . . 99.99 111.825 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 52.98 51.84 15.03 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 124.968 1.307 . . . . 99.99 111.7 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 79.37 -39.26 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 126.025 1.73 . . . . 99.99 111.816 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 29.1 t70 69.56 128.57 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.88 1.672 . . . . 99.99 111.984 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 18.2 m -88.39 135.79 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 94.47 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.629 0.772 . . . . 99.99 111.426 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.5 mt 60.35 26.34 15.87 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.773 1.229 . . . . 99.99 112.195 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -78.71 79.28 1.57 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.979 -0.448 . . . . 99.99 111.979 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -124.66 -73.53 0.23 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 109.23 123.04 4.66 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 112.562 -0.215 . . . . 99.99 112.562 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -146.66 108.01 4.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.331 1.053 . . . . 99.99 108.571 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -116.39 105.98 13.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.707 0.803 . . . . 99.99 110.154 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 32.0 m -69.9 113.87 7.54 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.09 -42.68 37.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.528 0.731 . . . . 99.99 111.275 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.05 68.18 0.9 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.729 1.212 . . . . 99.99 110.277 -170.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -96.12 -73.33 0.6 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.485 -0.78 . . . . 99.99 111.658 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 44.1 p -70.23 -37.63 75.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.302 0.641 . . . . 99.99 111.821 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.44 -89.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.055 1.342 . . . . 99.99 111.864 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 19.2 p -156.09 -51.65 0.08 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.592 1.157 . . . . 99.99 108.871 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 60.55 87.18 0.09 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.093 1.357 . . . . 99.99 109.961 -172.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -84.03 58.36 5.01 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.878 -0.601 . . . . 99.99 112.793 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.27 -164.04 0.17 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.794 1.238 . . . . 99.99 112.946 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -91.03 -70.14 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.234 0.614 . . . . 99.99 109.632 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -150.27 -173.76 4.54 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 99.99 111.003 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 77.64 35.05 37.45 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 116.332 -0.394 . . . . 99.99 113.161 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -95.86 51.65 1.27 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.858 0.863 . . . . 99.99 111.257 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.551 ' O ' ' HG3' ' E' ' 249' ' ' GLU . 57.1 m 55.92 -87.46 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.676 1.59 . . . . 99.99 113.946 169.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.88 -16.92 63.89 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.012 0.925 . . . . 99.99 111.561 -169.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -64.53 -11.29 32.65 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 115.059 1.503 . . . . 99.99 115.059 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' E' ' 246' ' ' THR . 69.3 mt-10 -44.28 -40.45 5.24 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 115.049 1.5 . . . . 99.99 115.049 -160.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.72 -44.97 69.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.863 0.465 . . . . 99.99 109.982 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.67 32.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.85 0.86 . . . . 99.99 112.833 -175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -83.95 -42.68 16.02 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.715 0.406 . . . . 99.99 110.699 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.85 10.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.344 0.658 . . . . 99.99 111.079 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 60.44 91.5 0.05 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.61 1.164 . . . . 99.99 110.742 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -77.77 62.37 3.57 Favored Glycine 0 C--N 1.355 1.589 0 O-C-N 123.677 0.611 . . . . 99.99 113.355 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -173.52 166.23 4.64 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.576 1.551 . . . . 99.99 107.39 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.43 -62.78 1.33 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.764 0.426 . . . . 99.99 111.705 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 62.29 115.94 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 124.025 0.93 . . . . 99.99 110.207 -169.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 97.4 t 67.53 -76.04 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.873 1.269 . . . . 99.99 109.682 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 260' ' ' SER . . . . . 0.432 ' HB3' HD21 ' C' ' 141' ' ' LEU . 39.9 t -154.25 -50.46 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.904 0.481 . . . . 99.99 110.385 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 5.5 t70 52.56 96.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.076 1.351 . . . . 99.99 111.655 -175.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' C' ' 141' ' ' LEU . . . -76.31 -8.71 57.67 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.676 0.621 . . . . 99.99 112.676 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.78 23.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.093 0.557 . . . . 99.99 110.292 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 22.2 m -109.28 117.21 33.49 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 99.99 110.596 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' C' ' 92' ' ' THR . 4.2 pp -72.64 -28.56 62.82 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.714 0.406 . . . . 99.99 110.464 172.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.361 1.464 . . . . 99.99 109.955 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.0 m -129.34 -48.1 1.19 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.601 0.76 . . . . 99.99 110.634 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . 0.666 HG11 ' HA ' ' E' ' 280' ' ' LEU . 45.7 t 58.98 86.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.934 1.294 . . . . 99.99 110.595 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 269' ' ' THR . . . . . 0.51 HG22 ' HB3' ' E' ' 274' ' ' GLN . 33.5 p -137.04 42.44 2.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.448 1.099 . . . . 99.99 109.558 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.67 -164.75 0.53 Allowed 'General case' 0 CA--C 1.566 1.586 0 C-N-CA 123.544 0.738 . . . . 99.99 112.226 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.6 -29.52 69.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.54 1.136 . . . . 99.99 113.775 -165.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -91.1 13.29 17.33 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.254 1.022 . . . . 99.99 109.82 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 83.55 163.28 0.12 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.676 1.591 . . . . 99.99 114.408 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . 0.51 ' HB3' HG22 ' E' ' 269' ' ' THR . 0.1 OUTLIER -84.44 30.5 0.54 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.331 -2.213 . . . . 99.99 112.827 -173.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.401 ' HG3' ' OG ' ' C' ' 48' ' ' SER . 73.2 mmtt -36.92 130.71 0.72 Allowed Pre-proline 0 N--CA 1.496 1.856 0 C-N-CA 125.803 1.641 . . . . 99.99 114.403 -153.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -20.58 -81.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.786 1 C-N-CA 126.777 4.985 . . . . 99.99 117.69 -160.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.3 -16.88 23.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 122.561 0.345 . . . . 99.99 110.36 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.459 HD22 ' H ' ' E' ' 278' ' ' LEU . 0.4 OUTLIER -109.14 45.75 1.03 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.545 1.138 . . . . 99.99 110.233 -168.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -75.8 75.26 1.49 Allowed Glycine 0 C--N 1.35 1.319 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.949 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.666 ' HA ' HG11 ' E' ' 268' ' ' VAL . 50.1 tp -165.53 -45.85 0.03 OUTLIER 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.554 1.141 . . . . 99.99 108.279 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.443 ' HZ ' ' HG3' ' C' ' 103' ' ' PRO . 8.0 m-85 -74.43 82.34 1.94 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.876 0.846 . . . . 99.99 109.313 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -143.5 -78.83 0.21 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.912 -1.494 . . . . 99.99 108.184 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.99 36.59 4.61 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.462 0.705 . . . . 99.99 109.662 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -71.04 83.66 0.41 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.153 -0.93 . . . . 99.99 111.07 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' C' ' 44' ' ' LEU . 18.1 m120 -104.58 97.02 6.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.17 0.988 . . . . 99.99 109.717 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.21 117.1 67.91 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.769 -0.826 . . . . 99.99 108.769 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -63.27 -54.94 0.86 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.342 2.028 . . . . 99.99 111.472 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.586 HG21 HD22 ' C' ' 136' ' ' LEU . 30.1 t 63.71 -70.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 125.496 1.518 . . . . 99.99 112.16 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.439 ' HA ' ' H ' ' C' ' 42' ' ' LEU . 19.5 ttt85 71.19 -79.33 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.916 1.686 . . . . 99.99 109.852 -178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.581 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 -154.67 153.39 31.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.71 0.804 . . . . 99.99 110.869 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -162.41 122.09 1.08 Allowed Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -71.6 95.01 0.69 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.203 2.602 . . . . 99.99 111.509 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -116.41 122.2 44.13 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.512 0.725 . . . . 99.99 109.246 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -72.55 125.65 27.95 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.708 0.803 . . . . 99.99 110.081 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 26.9 m -90.51 160.12 16.15 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.939 0.896 . . . . 99.99 110.378 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.64 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.5 m-30 75.07 124.69 0.04 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.547 1.539 . . . . 99.99 112.28 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -169.52 -73.54 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 106.153 -1.795 . . . . 99.99 106.153 176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 56.39 -148.6 29.51 Favored Glycine 0 C--N 1.356 1.685 0 O-C-N 124.492 1.12 . . . . 99.99 114.555 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -168.77 76.69 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.479 1.512 . . . . 99.99 107.225 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.31 83.91 2.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 CA-C-N 114.915 -1.039 . . . . 99.99 108.48 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -172.05 83.6 0.07 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.822 -1.081 . . . . 99.99 109.001 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.542 ' HB3' ' HZ2' ' E' ' 303' ' ' LYS . 0.1 OUTLIER 178.44 157.5 0.59 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 124.439 1.095 . . . . 99.99 110.383 177.294 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.484 ' HD3' ' HG2' ' E' ' 1' ' ' MET . 4.2 Cg_exo -75.15 -175.79 2.57 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 123.059 2.506 . . . . 99.99 112.804 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.54 -162.69 1.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.209 -0.905 . . . . 99.99 109.857 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.423 ' O ' HG22 ' D' ' 105' ' ' ILE . 28.6 m -74.48 163.44 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.585 0.754 . . . . 99.99 112.78 -168.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 307' ' ' THR . . . . . 0.524 HG21 ' HB3' ' B' ' 134' ' ' ASP . 5.9 t -120.44 124.77 46.28 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.178 -0.919 . . . . 99.99 108.594 169.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 89.2 m -149.38 138.29 21.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.444 0.697 . . . . 99.99 109.178 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 3.4 t -134.73 74.97 63.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.095 0.958 . . . . 99.99 108.477 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.91 176.36 10.22 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.133 2.555 . . . . 99.99 113.188 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -179.28 -50.36 0.0 OUTLIER Pre-proline 0 CA--C 1.565 1.537 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.762 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.48 102.39 0.98 Allowed 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 122.363 2.042 . . . . 99.99 111.978 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.447 HE22 ' HA ' ' E' ' 123' ' ' ASP . 14.1 tm0? -148.51 143.57 26.76 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.61 -1.177 . . . . 99.99 107.935 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.453 ' HA ' ' OG ' ' E' ' 317' ' ' SER . 2.1 tmm_? 62.79 67.43 0.7 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.598 1.159 . . . . 99.99 108.413 -176.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.98 66.46 8.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 107.365 -1.346 . . . . 99.99 107.365 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 62.23 15.51 7.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 114.166 -1.379 . . . . 99.99 112.467 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 317' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' E' ' 314' ' ' ARG . 72.8 p -76.89 105.12 7.77 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 121.318 0.58 . . . . 99.99 110.02 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 98.6 t -110.96 141.06 23.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.804 1.242 . . . . 99.99 108.959 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.86 117.69 3.24 Favored 'Trans proline' 0 C--N 1.392 2.841 0 C-N-CA 123.229 2.619 . . . . 99.99 111.519 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.7 m -75.78 -33.59 60.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.445 1.098 . . . . 99.99 111.931 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.631 HD23 ' HG3' ' D' ' 39' ' ' GLU . 40.0 mt 61.1 81.59 0.19 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.845 1.258 . . . . 99.99 109.668 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -67.74 -5.93 18.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -78.25 -38.3 43.18 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.554 0.742 . . . . 99.99 110.332 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' E' ' 321' ' ' LEU . 4.3 ppp? -61.27 -29.73 70.03 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.854 0.461 . . . . 99.99 111.54 -171.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.0 p -70.98 113.8 8.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.47 0.708 . . . . 99.99 109.653 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -65.95 123.37 19.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.636 0.774 . . . . 99.99 110.01 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -144.04 -177.73 5.59 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.049 0.939 . . . . 99.99 110.38 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.568 ' HA ' ' HB2' ' E' ' 331' ' ' LEU . . . -58.84 -13.26 5.76 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.044 1.338 . . . . 99.99 112.844 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 31.4 pt -55.57 -41.21 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.354 1.062 . . . . 99.99 111.879 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.63 -35.89 16.58 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.534 0.734 . . . . 99.99 109.932 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 3.9 mm? -73.7 4.29 5.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.061 -0.972 . . . . 99.99 111.891 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.0 -57.89 5.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.259 -1.015 . . . . 99.99 108.259 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 25.2 p -77.74 97.11 5.07 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.059 -0.973 . . . . 99.99 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -121.14 -58.26 1.81 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.05 0.94 . . . . 99.99 109.834 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -70.65 167.51 18.47 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.383 -0.826 . . . . 99.99 110.679 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.54 90.03 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.329 0.651 . . . . 99.99 109.875 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 72.0 133.47 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.459 1.504 . . . . 99.99 110.172 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.64 37.53 2.08 Favored Glycine 0 N--CA 1.477 1.413 0 N-CA-C 113.743 0.257 . . . . 99.99 113.743 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.85 -177.99 4.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.284 1.434 . . . . 99.99 108.023 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -85.43 30.54 0.62 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.219 1.008 . . . . 99.99 112.21 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 73.95 -54.27 0.68 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 126.198 1.799 . . . . 99.99 110.226 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? 76.06 101.46 0.07 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.966 1.707 . . . . 99.99 108.949 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.95 110.95 34.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . 0.496 ' HG3' ' CE1' ' E' ' 434' ' ' HIS . 30.4 tt0 -74.47 113.37 11.62 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.435 0.459 . . . . 99.99 110.752 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -90.77 89.48 1.5 Allowed Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.539 -0.755 . . . . 99.99 111.244 173.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -89.63 -18.51 26.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.85 0.86 . . . . 99.99 111.686 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 20.6 t -81.84 17.3 1.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.976 0.91 . . . . 99.99 111.351 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 7.2 tp -68.69 132.96 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 124.061 0.945 . . . . 99.99 110.96 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.84 158.54 32.01 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.236 1.014 . . . . 99.99 109.941 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . 0.554 ' HB3' ' HZ3' ' E' ' 350' ' ' LYS . 3.8 mmmp? 83.13 -0.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.009 1.324 . . . . 99.99 112.273 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.55 93.86 3.08 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 106.74 -1.578 . . . . 99.99 106.74 169.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -115.94 130.57 56.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.755 . . . . 99.99 110.161 -174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.38 -23.54 14.73 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.365 0.666 . . . . 99.99 110.723 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -73.3 128.03 34.34 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.428 0.691 . . . . 99.99 111.17 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -166.5 -175.74 3.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.004 0.922 . . . . 99.99 110.333 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . 0.559 ' H ' ' HD2' ' E' ' 357' ' ' PRO . 47.8 t-20 -130.68 -49.23 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 124.342 1.057 . . . . 99.99 109.209 174.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' E' ' 356' ' ' ASN . 61.0 Cg_endo -72.03 91.65 0.73 Allowed 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 121.48 1.453 . . . . 99.99 112.056 170.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . 0.465 ' SG ' ' HA3' ' E' ' 162' ' ' GLY . 20.5 t -141.91 -48.09 0.37 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.303 1.041 . . . . 99.99 108.5 173.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -86.69 52.72 4.48 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 115.496 -0.774 . . . . 99.99 111.307 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . 0.476 ' HG2' HG13 ' E' ' 361' ' ' ILE . 26.7 tt0 -87.22 135.16 33.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 99.99 110.143 -173.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . 0.476 HG13 ' HG2' ' E' ' 360' ' ' GLN . 28.8 mt 61.69 73.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.102 1.361 . . . . 99.99 110.16 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -66.97 -55.14 17.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.979 -1.009 . . . . 99.99 111.835 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . 0.464 ' HG2' HG22 ' E' ' 364' ' ' THR . 0.0 OUTLIER -134.8 -34.7 0.89 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.835 0.854 . . . . 99.99 109.649 175.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 364' ' ' THR . . . . . 0.464 HG22 ' HG2' ' E' ' 363' ' ' GLU . 13.1 t -163.54 160.68 23.4 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.223 0.609 . . . . 99.99 110.863 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . 0.498 HG11 ' HB3' ' E' ' 369' ' ' GLU . 78.5 t -135.82 138.5 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.067 1.347 . . . . 99.99 107.898 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -113.2 173.94 6.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.672 0.789 . . . . 99.99 109.008 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -54.54 -32.61 58.57 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.733 0.813 . . . . 99.99 113.154 -168.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.23 -42.15 69.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.87 0.868 . . . . 99.99 110.928 -175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.498 ' HB3' HG11 ' E' ' 365' ' ' VAL . 10.4 tp10 -82.03 -22.27 36.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.227 0.611 . . . . 99.99 111.264 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.98 -14.45 6.45 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.532 1.133 . . . . 99.99 113.517 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 28.0 m -54.62 -21.08 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 C-N-CA 124.606 1.162 . . . . 99.99 113.284 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.13 -17.54 7.48 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.49 1.116 . . . . 99.99 113.302 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.57 -21.37 17.0 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.025 0.93 . . . . 99.99 113.488 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.45 -20.21 29.13 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.117 0.967 . . . . 99.99 113.432 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.82 -17.99 62.12 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.533 0.733 . . . . 99.99 112.317 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -58.05 -31.4 66.99 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.897 1.279 . . . . 99.99 111.474 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -63.13 -36.19 82.77 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.797 0.439 . . . . 99.99 110.756 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.52 59.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.826 0.851 . . . . 99.99 111.888 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' E' ' 379' ' ' LYS . 11.2 mmpt? -87.36 -3.22 59.02 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.124 0.569 . . . . 99.99 112.265 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -79.15 -173.62 3.7 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.262 0.625 . . . . 99.99 109.952 173.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 74.5 -52.59 0.68 Allowed 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 125.278 1.431 . . . . 99.99 111.986 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -85.03 42.56 3.16 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 171.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -83.11 116.85 22.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.901 1.28 . . . . 99.99 110.334 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 12.9 t 40.56 58.98 2.23 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.093 1.757 . . . . 99.99 112.292 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.66 157.2 30.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 114.31 -1.314 . . . . 99.99 111.665 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.55 132.04 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.57 0.748 . . . . 99.99 110.459 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 9.3 tp -85.0 146.48 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 123.51 0.724 . . . . 99.99 110.14 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.1 124.85 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.428 1.091 . . . . 99.99 110.622 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 389' ' ' THR . . . . . 0.563 ' HB ' ' HG3' ' C' ' 1' ' ' MET . 63.7 m -142.8 137.39 29.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.083 0.953 . . . . 99.99 108.552 174.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.85 126.85 29.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.341 0.656 . . . . 99.99 110.079 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.24 158.31 31.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.829 0.852 . . . . 99.99 109.73 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 68.66 -179.17 0.22 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.089 1.356 . . . . 99.99 111.016 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -115.54 159.1 21.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.421 0.689 . . . . 99.99 110.477 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -72.39 -17.8 61.78 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.842 0.857 . . . . 99.99 110.663 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -50.7 111.56 0.56 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.651 1.18 . . . . 99.99 111.928 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 29.4 p -145.63 -170.03 3.36 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.482 1.113 . . . . 99.99 109.192 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.24 115.49 5.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.32 0.581 . . . . 99.99 109.894 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.2 mm -85.36 -60.55 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.903 0.881 . . . . 99.99 109.06 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.74 125.49 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-N 114.998 -1.001 . . . . 99.99 109.423 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -165.42 -45.44 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.189 0.996 . . . . 99.99 111.055 -174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.95 136.76 10.61 Favored 'Trans proline' 0 C--N 1.391 2.785 0 C-N-CA 121.311 1.341 . . . . 99.99 112.213 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.13 30.61 18.59 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.962 1.305 . . . . 99.99 112.46 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 5.4 t -85.19 80.46 9.2 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.685 0.794 . . . . 99.99 111.002 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -156.33 -41.42 0.08 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.96 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.95 28.83 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 123.17 0.588 . . . . 99.99 111.074 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.99 174.84 11.07 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.952 2.435 . . . . 99.99 112.56 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 154.52 -158.03 27.96 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.749 -0.66 . . . . 99.99 111.901 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . 0.538 ' HB3' ' HA ' ' E' ' 27' ' ' PRO . 63.3 tp -151.42 107.3 3.39 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 176.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 11.0 t -147.14 178.94 7.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.118 0.485 . . . . 99.99 110.382 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.25 129.87 34.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.478 1.111 . . . . 99.99 108.359 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -94.05 -83.82 0.33 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 122.935 0.494 . . . . 99.99 110.446 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 49.4 tp 41.68 -83.1 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.787 2.035 . . . . 99.99 113.682 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.61 -13.11 4.99 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.81 1.244 . . . . 99.99 112.036 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.1 m -74.66 77.5 2.03 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.054 0.942 . . . . 99.99 109.507 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 67.6 29.41 7.1 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 124.894 1.278 . . . . 99.99 113.757 165.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.07 -34.93 79.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.816 . . . . 99.99 110.724 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 101.57 -43.91 1.63 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.184 -0.916 . . . . 99.99 112.068 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.41 -79.25 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.097 1.359 . . . . 99.99 111.459 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 48.1 t 64.18 123.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 125.945 1.698 . . . . 99.99 112.766 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 53.8 ttp -138.33 141.7 39.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.15 -6.53 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.985 0.914 . . . . 99.99 113.231 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 47.0 ttp -58.42 -38.47 77.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.251 0.62 . . . . 99.99 110.741 174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 41.4 p -78.13 128.42 33.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.66 91.87 0.2 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.909 0.884 . . . . 99.99 111.387 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -86.31 77.77 1.99 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.466 -0.788 . . . . 99.99 111.586 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 67.53 83.0 0.17 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.91 1.284 . . . . 99.99 110.913 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 24.2 m -80.33 -49.12 11.95 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.53 -0.759 . . . . 99.99 109.814 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 73.63 -59.3 0.57 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.86 1.664 . . . . 99.99 113.489 171.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.26 -19.25 32.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.887 1.275 . . . . 99.99 114.362 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.05 -24.88 42.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.53 0.732 . . . . 99.99 112.099 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -72.65 -58.1 3.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.672 0.789 . . . . 99.99 110.423 171.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -83.27 -70.02 0.59 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.808 0.67 . . . . 99.99 112.808 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.7 -21.58 1.49 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.848 0.685 . . . . 99.99 112.848 -166.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' E' ' 344' ' ' GLU . 31.1 m-70 73.78 21.57 2.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 124.771 1.229 . . . . 99.99 110.288 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 435' ' ' THR . . . . . 0.529 ' HB ' ' HG2' ' E' ' 149' ' ' LYS . 60.3 p 56.98 29.53 16.55 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.665 1.586 . . . . 99.99 111.785 -170.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -87.28 44.35 3.28 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.613 -0.721 . . . . 99.99 112.917 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 7.0 m -69.08 -43.68 74.06 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.926 0.89 . . . . 99.99 110.205 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -81.35 -77.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.853 -1.067 . . . . 99.99 110.338 -170.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 33.6 tp 69.48 -64.96 0.32 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.415 1.486 . . . . 99.99 111.786 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.441 ' HA ' ' HA2' ' E' ' 162' ' ' GLY . 51.0 mtm180 -52.15 -53.8 38.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.914 1.686 . . . . 99.99 113.453 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . 0.483 HG21 HG13 ' E' ' 146' ' ' ILE . 32.4 mt -101.69 70.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -168.2 69.49 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.441 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -173.6 -52.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.809 1.244 . . . . 99.99 108.33 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -113.38 155.34 25.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.651 -1.159 . . . . 99.99 108.442 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 175.67 173.07 41.07 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.502 0.501 . . . . 99.99 112.533 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -86.17 149.79 9.32 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.054 2.503 . . . . 99.99 112.909 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -74.38 -44.95 49.89 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . 0.722 ' HB3' ' HB ' ' E' ' 144' ' ' VAL . . . 58.18 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.198 1.799 . . . . 99.99 112.976 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 68.78 100.72 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.157 1.383 . . . . 99.99 109.943 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -58.76 -46.49 87.35 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.586 0.754 . . . . 99.99 112.22 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.562 ' HB ' ' HG2' ' A' ' 9' ' ' MET . 79.5 t 48.06 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.65 1.58 . . . . 99.99 112.101 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.789 HG12 ' HB2' ' A' ' 97' ' ' CYS . 48.3 t 72.24 8.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.579 2.058 0 C-N-CA 123.683 0.793 . . . . 99.99 111.842 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -66.31 -63.82 3.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 121.696 -0.628 . . . . 99.99 112.905 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 7.0 mp 55.32 84.48 0.07 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.168 1.387 . . . . 99.99 112.613 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 66.2 p -121.17 -46.61 2.3 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 62.44 -152.94 0.35 Allowed 'General case' 0 C--N 1.363 1.162 0 CA-C-N 114.14 -1.391 . . . . 99.99 111.052 168.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . 0.403 ' HB2' ' CD1' ' E' ' 461' ' ' PHE . 20.6 mp0 -78.87 -8.33 58.73 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.066 0.546 . . . . 99.99 110.152 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 143' ' ' GLN . 93.7 m 75.57 -70.25 0.15 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.354 1.462 . . . . 99.99 112.197 175.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.22 163.6 27.66 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.172 0.989 . . . . 99.99 110.819 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 68.1 tp -60.97 96.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.271 0.629 . . . . 99.99 109.684 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.481 ' HZ ' ' HB1' ' A' ' 135' ' ' ALA . 1.0 OUTLIER -74.24 -63.75 1.16 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.718 1.207 . . . . 99.99 110.259 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 3.6 t80 44.45 -105.5 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 126.004 1.722 . . . . 99.99 112.227 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 25.7 m 35.92 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.776 2.03 . . . . 99.99 115.459 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 41.7 ttp -138.78 146.71 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.524 ' HA ' ' HE2' ' E' ' 465' ' ' LYS . 11.2 mmpt? -61.51 -52.89 62.6 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.467 0.707 . . . . 99.99 111.306 -175.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 58.51 90.18 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.803 1.315 . . . . 99.99 112.345 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -142.97 126.0 16.3 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.244 0.617 . . . . 99.99 110.18 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.472 ' HG ' HG23 ' A' ' 40' ' ' VAL . 97.5 mt -108.73 129.86 55.36 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.374 1.069 . . . . 99.99 110.171 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.02 -27.25 53.64 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.351 0.407 . . . . 99.99 112.213 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 75.3 mt 64.0 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.658 1.583 . . . . 99.99 111.664 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.711 ' HZ3' ' HA ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.206 0 C-N-CA 123.22 0.608 . . . . 99.99 111.693 -175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 109.86 -0.422 . . . . 99.99 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -74.99 -26.07 59.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.131 0.572 . . . . 99.99 110.552 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -111.03 119.74 40.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 99.99 110.315 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -131.56 -11.25 3.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.32 1.048 . . . . 99.99 111.486 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.41 -33.32 10.04 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.584 0.753 . . . . 99.99 112.575 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -54.92 -44.15 73.96 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.643 0.777 . . . . 99.99 112.637 -170.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m 61.22 -74.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.561 1.545 . . . . 99.99 111.28 -175.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.82 21.47 11.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.315 1.446 . . . . 99.99 111.769 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.4 157.9 43.94 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.515 0.726 . . . . 99.99 109.826 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -140.5 150.62 43.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.216 -1.401 . . . . 99.99 107.216 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.742 ' HA ' HG13 ' A' ' 86' ' ' ILE . 1.2 t80 -130.48 127.77 39.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.609 0.641 . . . . 99.99 111.826 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.542 HE21 ' HB2' ' E' ' 145' ' ' ASP . 59.2 tp60 -142.5 118.24 10.47 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.623 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.579 ' NE2' HG21 ' A' ' 83' ' ' ILE . 30.3 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 99.99 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 34.4 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' HB3' HG23 ' B' ' 122' ' ' THR . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 17.02 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 50.99 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 18.45 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 13.15 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB2' ' HE1' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 6.92 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 22.19 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 43.73 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.489 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 63.88 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 73.6 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 99.99 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.593 HD11 ' HE2' ' A' ' 133' ' ' PHE . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' E' ' 460' ' ' LEU . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 50.91 109.641 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 67.81 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.441 ' HB3' HD11 ' E' ' 454' ' ' LEU . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 99.99 109.691 172.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 81.17 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB2' HD13 ' E' ' 454' ' ' LEU . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' HD13 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.23 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HD3' ' A' ' 103' ' ' PRO . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 75.11 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 32.98 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 27.21 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 28.74 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 35.81 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 19.33 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 29.68 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 25.47 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 80.58 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.595 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 99.99 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 40.21 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.714 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 30.66 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 59.79 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 30.86 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 20.96 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 21.28 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG21 ' NE2' ' A' ' 14' ' ' GLN . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 80.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.623 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t -119.55 95.6 4.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.742 HG13 ' HA ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -147.65 167.26 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.357 0 N-CA-C 115.611 1.708 . . . . 99.99 115.611 -170.301 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.612 ' H ' HD12 ' A' ' 86' ' ' ILE . . . -143.28 144.68 32.22 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.21 1.804 . . . . 99.99 109.877 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 2.68 31.4 Favored Glycine 0 C--N 1.35 1.333 0 C-N-CA 123.488 0.566 . . . . 99.99 113.352 175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 86' ' ' ILE . 2.0 mp -111.57 134.46 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.418 0.687 . . . . 99.99 109.502 -170.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -168.42 174.9 6.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.809 1.244 . . . . 99.99 109.258 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.87 43.66 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.405 0.441 . . . . 99.99 113.114 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -78.2 -15.67 58.59 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.462 0.705 . . . . 99.99 111.352 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -72.16 -37.95 69.27 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.075 -0.713 . . . . 99.99 109.075 173.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.419 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 4.4 tpt -70.23 -49.0 54.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.55 68.18 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.907 0.883 . . . . 99.99 111.367 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.26 -46.14 57.15 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 123.095 0.558 . . . . 99.99 109.676 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 34.2 t -65.5 -64.37 0.88 Allowed 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.479 0.487 . . . . 99.99 110.667 -173.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.506 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.6 pp -74.08 -13.99 60.92 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 99.99 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.558 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 99.99 113.255 -167.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 79.06 111.483 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.519 ' HD3' HG13 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 59.39 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 99.99 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.622 ' HA ' ' HB2' ' E' ' 139' ' ' ASN . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 83.34 110.952 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 42.55 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.456 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 17.98 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 13.2 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 36.0 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 15.85 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.454 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 19.0 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 5.43 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 18.83 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.494 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 22.63 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 6.65 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 88.83 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 51.92 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 39.96 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 11.33 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 32.89 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 19.39 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.489 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 30.18 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 90.79 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.551 ' HB3' HG11 ' E' ' 135' ' ' VAL . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 93.81 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 77.99 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 85.02 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t -130.62 113.38 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.61 96.44 7.11 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.724 0.809 . . . . 99.99 109.305 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.593 ' HE2' HD11 ' A' ' 44' ' ' LEU . 52.8 m-85 -65.0 -45.8 84.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.096 0.95 . . . . 99.99 109.569 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.19 -37.68 86.21 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 113.278 -1.783 . . . . 99.99 112.007 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.41 78.3 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.23 0.331 . . . . 99.99 111.689 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.54 -40.5 94.9 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.334 0.396 . . . . 99.99 110.66 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -66.48 -40.48 89.34 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.372 -0.831 . . . . 99.99 110.845 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.433 ' SD ' HD21 ' A' ' 141' ' ' LEU . 22.2 mmt -77.58 -22.76 50.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.613 0.765 . . . . 99.99 112.097 -175.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.55 -30.3 68.53 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.418 0.449 . . . . 99.99 110.333 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -95.74 -46.83 6.43 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.717 0.807 . . . . 99.99 110.986 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.433 HD21 ' SD ' ' A' ' 138' ' ' MET . 23.1 tp -67.46 -12.29 59.94 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.203 1.001 . . . . 99.99 112.326 -170.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -142.79 -12.91 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.8 0.44 . . . . 99.99 110.599 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.85 166.94 0.31 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.583 1.153 . . . . 99.99 109.767 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -53.96 108.09 0.33 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.663 0.785 . . . . 99.99 111.374 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.02 179.56 7.77 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.952 0.901 . . . . 99.99 111.529 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -58.77 128.67 48.21 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.935 0.772 . . . . 99.99 111.896 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.72 -20.85 61.85 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.045 0.938 . . . . 99.99 112.148 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 120.77 147.81 7.87 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 110.665 -0.974 . . . . 99.99 110.665 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.0 m -76.88 -51.43 11.27 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 117.435 0.617 . . . . 99.99 109.961 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.4 -26.68 9.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.553 -1.203 . . . . 99.99 109.99 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' C' ' 145' ' ' ALA . 2.1 mp0 -72.35 -74.04 0.18 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.036 0.934 . . . . 99.99 110.166 -173.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 61.76 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.034 1.334 . . . . 99.99 110.299 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -134.94 -59.23 0.8 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.425 -1.324 . . . . 99.99 107.425 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -157.75 161.4 38.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 113.85 -1.523 . . . . 99.99 108.682 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.797 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 65.84 101.55 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.618 1.199 . . . . 99.99 112.702 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.23 26.08 8.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.338 0.655 . . . . 99.99 111.227 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 81.52 1.13 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.883 -0.784 . . . . 99.99 108.883 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 60.9 -73.31 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.482 1.513 . . . . 99.99 112.707 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . 0.527 ' HA ' ' HA3' ' E' ' 229' ' ' GLY . 48.4 t30 79.12 -58.26 0.41 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 126.007 1.723 . . . . 99.99 112.173 172.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -82.27 44.95 0.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.663 1.185 . . . . 99.99 111.232 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.31 119.04 15.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.639 0.776 . . . . 99.99 111.673 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' B' ' 87' ' ' ALA . 17.0 ttt 66.71 168.65 0.23 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.184 1.794 . . . . 99.99 113.016 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 146.32 48.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.363 1.465 . . . . 99.99 107.621 168.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.464 ' HD2' ' HG ' ' E' ' 70' ' ' LEU . 50.9 t80 -137.64 132.69 33.36 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' E' ' 70' ' ' LEU . 0.1 OUTLIER -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 61.13 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 99.99 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 99.99 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 22.84 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 25.35 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.558 HG23 HD12 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 18.25 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 41.37 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.447 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.558 HD12 HG23 ' B' ' 18' ' ' THR . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 15.07 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 29.37 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 11.41 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.528 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 27.88 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 51.27 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.528 ' HB1' ' CB ' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' HZ1' ' HG2' ' B' ' 71' ' ' GLU . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 99.99 110.254 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.637 ' HB3' ' HE2' ' E' ' 149' ' ' LYS . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 99.89 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' E' ' 7' ' ' ALA . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 99.99 110.688 -172.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.528 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 99.99 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 89.58 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 50.34 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 99.99 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 44.59 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 98.19 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 93.17 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 98.7 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 99.99 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.662 ' HB2' HD13 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.439 ' HB ' ' HE1' ' E' ' 15' ' ' PHE . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 85.08 109.237 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 32.75 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 89.85 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.761 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 30.69 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 50.25 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.531 HG22 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 27.1 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 27.69 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 28.91 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 82.69 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 84.99 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 91.81 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HZ1' ' B' ' 34' ' ' LYS . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.497 HG22 HD23 ' B' ' 75' ' ' LEU . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 39.53 111.755 -176.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 37.29 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.433 ' HZ ' HD22 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 21.12 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.497 HD23 HG22 ' B' ' 72' ' ' THR . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 29.86 106.748 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 13.61 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 13.23 108.924 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 36.68 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 12.8 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 51' ' ' LEU . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 51.05 108.336 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 99.99 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 99.23 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 99.99 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 9' ' ' MET . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.522 ' HB3' HG22 ' E' ' 19' ' ' THR . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.446 ' HA2' HG12 ' E' ' 28' ' ' VAL . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.558 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 99.37 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 67.76 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 81.59 112.042 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 55.65 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 48.03 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 99.99 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 59.06 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 27.15 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 18.14 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 25.24 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 18.19 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 76.84 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 28.75 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.531 HG21 HG22 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 30.1 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 17.12 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.81 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 50.71 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 23.64 110.138 175.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 49.99 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.444 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 17' ' ' TYR . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 33.79 112.503 175.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 28.26 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 39.05 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . 0.471 ' H ' HD21 ' B' ' 127' ' ' ASN . 0.1 OUTLIER -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 99.99 107.97 168.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 99.99 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 64.44 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.564 ' HB3' ' HH ' ' D' ' 109' ' ' TYR . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 75.43 111.508 173.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.431 ' HA ' ' OG1' ' E' ' 81' ' ' THR . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.99 109.766 172.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 56.3 t-20 -83.55 69.53 10.1 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.439 ' HZ ' ' HB2' ' E' ' 11' ' ' LEU . 15.7 t80 -58.61 -38.45 78.02 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 114.393 1.257 . . . . 99.99 114.393 -159.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.556 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 14.3 t70 -75.51 -57.19 4.04 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.805 0.442 . . . . 99.99 111.167 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.84 63.16 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.68 0.792 . . . . 99.99 111.788 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.616 HD12 HD12 ' E' ' 80' ' ' ILE . 28.3 tp -51.57 -34.67 37.89 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.738 1.615 . . . . 99.99 111.648 174.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.97 -31.27 61.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.665 0.786 . . . . 99.99 111.659 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -37.45 49.41 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.183 0.516 . . . . 99.99 110.201 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.93 2.2 54.22 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.689 1.196 . . . . 99.99 110.69 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -59.1 -15.83 16.15 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.195 1.798 . . . . 99.99 111.705 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' E' ' 172' ' ' GLU . 13.4 mt -97.95 -7.72 29.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.973 . . . . 99.99 111.47 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -109.19 95.49 5.67 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.366 0.666 . . . . 99.99 110.66 -173.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.86 160.72 34.83 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.904 0.882 . . . . 99.99 108.76 169.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -108.66 156.16 19.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.431 0.692 . . . . 99.99 110.327 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.74 -84.17 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.244 1.417 . . . . 99.99 111.573 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.51 -118.03 5.91 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 119.255 -0.747 . . . . 99.99 112.427 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.71 -155.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.771 1.228 . . . . 99.99 110.843 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 165.45 -85.67 0.1 Allowed Glycine 0 C--N 1.351 1.364 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 176.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 80.2 m -143.54 137.0 28.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.344 1.058 . . . . 99.99 108.166 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . 0.565 ' HG3' ' HG2' ' B' ' 151' ' ' GLU . 13.4 tp10 71.05 153.18 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.944 1.298 . . . . 99.99 111.236 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.565 ' HG2' ' HG3' ' B' ' 150' ' ' GLU . 24.5 mm-40 60.36 88.36 0.08 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.626 1.17 . . . . 99.99 111.674 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 58.3 69.87 0.7 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.658 1.183 . . . . 99.99 110.685 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.17 -135.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 107.109 -1.441 . . . . 99.99 107.109 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 70.28 122.53 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.166 1.386 . . . . 99.99 111.598 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.812 0.845 . . . . 99.99 110.913 -176.274 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.4 0.148 . . . . 99.99 111.4 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -143.64 -9.54 0.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.87 0.468 . . . . 99.99 112.218 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.82 58.5 0.62 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.813 0.816 . . . . 99.99 109.417 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 58.92 57.1 3.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.575 1.15 . . . . 99.99 112.232 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -159.68 107.1 1.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.168 -0.924 . . . . 99.99 110.035 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -97.61 -1.94 42.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.023 1.329 . . . . 99.99 110.766 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p 61.27 -68.44 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.995 2.118 . . . . 99.99 113.028 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.35 85.35 1.46 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.596 0.759 . . . . 99.99 109.781 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.579 ' HG2' ' HA2' ' C' ' 88' ' ' GLY . 55.2 mtm 59.21 112.67 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.47 1.508 . . . . 99.99 112.592 -175.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m -130.22 119.46 22.95 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.458 1.103 . . . . 99.99 109.296 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 -126.64 127.22 44.85 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.164 0.438 . . . . 99.99 109.939 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.601 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' E' ' 136' ' ' LYS . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 82.71 108.352 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.684 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 99.99 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.684 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 17.72 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 9.52 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 51.3 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 13.13 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 15.89 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.557 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 10.19 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 26.52 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 43.6 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' C' ' 31' ' ' VAL . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 57.64 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.626 HG13 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 78.76 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 99.99 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.492 ' CH2' ' HB ' ' E' ' 301' ' ' ILE . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.643 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 72.29 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 99.99 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.548 ' HB3' HD12 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 99.99 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' THR . . . . . 0.428 HG21 ' HD1' ' E' ' 281' ' ' PHE . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 90.89 111.092 -170.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 55.92 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 78.18 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 57.25 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.454 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.511 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 99.99 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 97.58 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.454 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 43.88 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 30.1 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 99.67 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.735 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 31.81 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.79 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 29.1 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 36.6 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 38.08 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 65.72 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.643 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 99.99 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 83.21 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 40.89 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 38.89 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 66.65 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 32.91 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.615 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 14.84 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 26.52 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 12.17 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' D' ' 29' ' ' PRO . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 39.17 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt -134.76 99.55 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.34 -60.31 1.75 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.87 -0.605 . . . . 99.99 109.507 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.579 ' HA2' ' HG2' ' C' ' 9' ' ' MET . . . 56.59 -101.25 0.14 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 -168.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 6.3 tp -170.08 61.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 125.007 1.323 . . . . 99.99 108.808 166.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.549 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 42.7 mt-10 60.63 -179.91 0.1 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 114.056 -1.429 . . . . 99.99 114.573 170.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.06 -119.16 13.1 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 114.147 -1.388 . . . . 99.99 114.23 168.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -68.29 -39.31 82.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.189 0.996 . . . . 99.99 111.017 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.75 -35.7 78.87 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.198 0.599 . . . . 99.99 111.154 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' E' ' 278' ' ' LEU . 55.9 mtt -75.11 -47.16 30.06 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.937 -0.574 . . . . 99.99 109.73 170.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.78 65.89 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.269 1.028 . . . . 99.99 113.716 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . 0.409 ' HA ' ' CD1' ' C' ' 137' ' ' PHE . 76.2 m-70 -69.98 -47.75 60.97 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.377 0.671 . . . . 99.99 111.661 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -81.49 -37.92 27.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.082 0.553 . . . . 99.99 111.062 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.541 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 81.7 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' C' ' 137' ' ' PHE . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 68.22 111.978 -175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 85.73 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 52.77 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 18.22 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 62.78 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 20.21 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 17.97 113.938 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.494 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 10.09 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 18.56 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.726 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 31.03 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.425 ' SG ' HG21 ' C' ' 78' ' ' VAL . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 26.09 110.823 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.425 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 21.24 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 14.3 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 10.17 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.621 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 12.08 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 54.79 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 23.93 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 27.3 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.626 ' HE1' HG13 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 36.76 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 44.0 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.407 HD13 ' HG1' ' E' ' 296' ' ' THR . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 92.07 109.307 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 43.42 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.726 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 64.09 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 45.54 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 40.22 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 98.11 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -86.05 -32.03 21.64 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.57 -52.25 40.86 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.258 -1.337 . . . . 99.99 113.38 -165.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -69.52 -23.85 63.66 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 118.387 -0.816 . . . . 99.99 112.992 -168.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.05 -47.5 80.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 123.756 0.66 . . . . 99.99 110.731 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' C' ' 100' ' ' ALA . 78.5 m-85 -83.26 -40.82 19.09 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.376 -0.829 . . . . 99.99 111.368 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' MET . . . . . 0.444 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 13.0 tmm? -46.21 -29.47 1.59 Allowed 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 125.615 1.566 . . . . 99.99 113.798 -171.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -51.39 -34.6 35.16 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.322 1.049 . . . . 99.99 112.856 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . 0.413 ' HD1' ' O ' ' C' ' 137' ' ' PHE . 1.5 p90 -56.77 -78.71 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.087 0.955 . . . . 99.99 109.875 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.66 139.57 12.9 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.057 -1.46 . . . . 99.99 107.057 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.46 146.9 48.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.781 0.432 . . . . 99.99 110.609 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.39 -72.45 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 125.388 1.475 . . . . 99.99 112.361 167.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 79.46 112.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 125.783 1.633 . . . . 99.99 112.179 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.426 ' HA ' ' HG2' ' A' ' 151' ' ' GLU . . . 58.32 -97.59 0.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.405 1.482 . . . . 99.99 114.168 167.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 104.44 1.73 Allowed Glycine 0 C--N 1.358 1.786 0 N-CA-C 111.094 -0.803 . . . . 99.99 111.094 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -35.05 63.73 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.698 0.799 . . . . 99.99 112.241 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 157.95 -64.74 0.3 Allowed Glycine 0 C--N 1.352 1.428 0 N-CA-C 113.638 0.215 . . . . 99.99 113.638 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.1 t -98.24 -10.76 23.49 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.076 0.769 . . . . 99.99 113.076 -166.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -77.92 -27.09 49.36 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.483 0.583 . . . . 99.99 109.441 167.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.601 ' HG2' ' HB2' ' C' ' 12' ' ' GLN . 10.7 tp10 -75.08 143.9 43.18 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.589 -1.187 . . . . 99.99 108.011 164.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -62.78 -23.01 67.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.808 0.843 . . . . 99.99 110.869 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . 0.492 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 8.5 tt0 64.15 38.64 8.16 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.576 1.15 . . . . 99.99 111.18 164.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 66.44 16.66 10.48 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.761 -1.109 . . . . 99.99 113.063 176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.873 -0.788 . . . . 99.99 108.873 173.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.269 -0.271 . . . . 99.99 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -116.79 98.15 6.35 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.118 -1.068 . . . . 99.99 108.118 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 63.4 -170.89 0.18 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.927 1.291 . . . . 99.99 112.053 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 67.61 89.66 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.83 1.252 . . . . 99.99 111.807 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -105.75 -19.67 13.68 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.475 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.68 57.08 4.45 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.587 1.155 . . . . 99.99 111.256 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -79.14 -84.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 122.837 0.455 . . . . 99.99 110.387 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -150.13 -163.81 1.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.58 1.552 . . . . 99.99 108.295 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.442 ' HA ' ' HA3' ' D' ' 88' ' ' GLY . 0.0 OUTLIER -34.15 125.96 0.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.57 1.148 . . . . 99.99 112.667 171.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.475 HG22 HE22 ' D' ' 12' ' ' GLN . 98.0 m -119.21 140.48 50.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.521 1.128 . . . . 99.99 109.863 -174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 79.57 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.475 HE22 HG22 ' D' ' 10' ' ' THR . 23.4 mp0 -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.423 HD12 HD11 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 99.99 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 81.0 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.508 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 28.79 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 14.92 109.986 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.619 ' HD3' HG13 ' D' ' 59' ' ' VAL . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 58.5 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.621 HG23 ' HE1' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 14.63 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 15.53 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 6.05 104.426 169.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 14.28 109.219 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 16.78 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' HZ ' ' D' ' 123' ' ' PHE . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 22.87 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.533 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 21.13 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 30.2 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' D' ' 68' ' ' LEU . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 64.18 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.623 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 34.41 109.037 174.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 54.02 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 34.31 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 83.42 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 99.99 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.405 ' HA ' HG13 ' E' ' 121' ' ' VAL . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.445 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 97.22 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' E' ' 111' ' ' LEU . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.528 ' H ' HD23 ' E' ' 111' ' ' LEU . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 99.99 109.897 173.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 62.54 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 55.71 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 61.91 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.99 110.261 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 93.38 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 99.99 115.606 -154.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.414 ' HH ' HD11 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . 0.442 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 71.26 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.619 HG13 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 36.06 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 79.92 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.436 HG23 ' HB1' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 22.5 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 23.18 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 24.43 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 32.61 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 25.12 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 49.15 111.142 -174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 32.34 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 33.15 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.623 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 19.1 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.477 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 12.32 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 8.66 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 19.44 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.655 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 10.02 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.761 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 29.4 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.3 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.508 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 65.32 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 99.99 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.703 HG12 HD12 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' D' ' 9' ' ' MET . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.703 HD12 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . 0.595 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 99.99 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 99.99 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 70.12 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 64.46 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 46.86 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.507 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 45.41 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.501 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 38.42 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.45 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 87.71 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 35.35 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 21.86 111.696 -172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 12.38 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 8.42 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . 0.564 ' HH ' ' HB3' ' B' ' 130' ' ' PRO . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 15.0 111.384 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 17.35 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.45 ' HA ' HD11 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 12.17 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.56 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.655 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 19.17 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 19.58 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 14.23 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 6.04 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.478 HG22 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 19.19 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 16.36 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 7.12 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 35.79 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . 0.454 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.582 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 27.88 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 17.97 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 33.77 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 99.99 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 35.86 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 48.78 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 48.18 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 95.86 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.45 ' HE2' ' HA ' ' D' ' 104' ' ' ASN . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -52.26 -38.53 58.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.14 65.7 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.895 0.878 . . . . 99.99 111.431 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.636 ' HB3' HD11 ' E' ' 111' ' ' LEU . 2.4 tt -72.39 -40.48 67.2 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' D' ' 141' ' ' LEU . 41.1 t80 -61.44 -38.64 87.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 99.99 111.183 -172.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 22.7 ptp -73.95 -38.86 64.09 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.313 0.645 . . . . 99.99 110.589 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -73.54 -29.6 62.55 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.773 0.829 . . . . 99.99 111.236 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -87.22 -34.44 18.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.394 0.678 . . . . 99.99 109.867 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' D' ' 137' ' ' PHE . 6.7 tt -62.94 -43.59 98.37 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.395 0.678 . . . . 99.99 109.759 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -76.17 -1.03 24.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.507 0.323 . . . . 99.99 111.641 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -135.14 42.75 2.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.589 0.756 . . . . 99.99 109.627 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -178.06 128.14 0.13 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.936 0.894 . . . . 99.99 109.196 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -165.45 -57.04 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.426 0.69 . . . . 99.99 109.356 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.43 -25.99 22.97 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.857 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 64.8 -77.73 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.679 1.592 . . . . 99.99 110.975 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -125.12 5.5 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.583 -1.407 . . . . 99.99 109.583 170.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 2.6 m 59.74 26.69 15.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.295 1.038 . . . . 99.99 111.205 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.31 117.66 7.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.469 0.708 . . . . 99.99 110.459 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 70.6 96.51 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.703 1.601 . . . . 99.99 110.095 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.66 -54.64 0.78 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.432 1.093 . . . . 99.99 109.071 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 53.6 -75.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 125.872 1.669 . . . . 99.99 113.516 171.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.35 -42.12 88.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.79 1.236 . . . . 99.99 110.491 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.109 0 C-N-CA 123.984 0.914 . . . . 99.99 110.043 -179.428 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.894 -0.41 . . . . 99.99 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.672 ' HG3' ' HB3' ' E' ' 305' ' ' ALA . 13.1 mptt 66.61 160.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.143 0.977 . . . . 99.99 112.306 -172.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.637 ' HG3' ' HD3' ' E' ' 303' ' ' LYS . 17.8 mm-40 -114.52 40.4 2.57 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.941 0.896 . . . . 99.99 109.798 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -71.55 131.66 43.57 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.716 -1.129 . . . . 99.99 109.912 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.451 ' HA ' HD22 ' E' ' 85' ' ' ASN . 13.3 t -141.53 21.59 2.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.494 0.717 . . . . 99.99 110.199 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.12 152.03 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.177 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' B' ' 42' ' ' LEU . . . -149.49 167.58 25.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.432 0.693 . . . . 99.99 111.458 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.404 ' HB3' HG11 ' B' ' 131' ' ' VAL . 3.5 tm? -115.84 -27.97 6.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.547 1.139 . . . . 99.99 108.218 166.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' E' ' 83' ' ' ALA . . . 85.89 170.55 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 126.383 1.873 . . . . 99.99 112.471 -177.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' B' ' 136' ' ' LEU . 0.8 OUTLIER -112.22 42.95 1.69 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.933 1.293 . . . . 99.99 108.757 -171.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.66 HD21 ' HB2' ' E' ' 15' ' ' PHE . 16.3 tp 67.07 164.19 0.13 Allowed Pre-proline 0 CA--C 1.579 2.094 0 C-N-CA 123.102 0.561 . . . . 99.99 109.642 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . 0.448 ' HD2' ' HG ' ' E' ' 11' ' ' LEU . 90.8 Cg_endo -78.68 16.74 1.23 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 CA-C-N 121.26 1.486 . . . . 99.99 112.621 164.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.32 136.88 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.715 1.606 . . . . 99.99 111.222 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 68.22 105.7 0.05 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.907 1.283 . . . . 99.99 110.168 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.66 ' HB2' HD21 ' E' ' 11' ' ' LEU . 11.1 t80 -130.79 94.61 3.66 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.512 ' HA ' HD13 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -149.01 39.84 0.21 Allowed Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.927 0.891 . . . . 99.99 112.567 177.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -79.69 11.83 2.6 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.92 1.747 . . . . 99.99 113.805 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.64 -60.77 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.127 0.971 . . . . 99.99 111.351 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' THR . . . . . 0.522 HG22 ' HB3' ' B' ' 90' ' ' GLU . 36.2 p -82.26 -79.66 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.628 0.371 . . . . 99.99 111.598 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.63 14.33 0.36 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.08 0.552 . . . . 99.99 110.788 -175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.06 82.05 0.96 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 121.737 0.779 . . . . 99.99 109.818 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.65 -51.82 2.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 106.613 -1.625 . . . . 99.99 106.613 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -74.48 118.32 68.99 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 115.092 -0.958 . . . . 99.99 110.455 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -70.57 169.29 20.29 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 123.241 2.627 . . . . 99.99 112.336 172.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 80.97 -44.03 0.2 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.589 1.556 . . . . 99.99 112.2 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -54.45 120.74 28.33 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 123.86 0.864 . . . . 99.99 109.763 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.69 -40.88 69.13 Favored 'Trans proline' 0 C--N 1.387 2.57 0 C-N-CA 123.159 2.573 . . . . 99.99 112.309 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.446 HG12 ' HA2' ' B' ' 91' ' ' GLY . 9.5 p 47.62 26.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 126.442 1.897 . . . . 99.99 112.739 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.75 -53.65 8.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.253 -1.339 . . . . 99.99 108.13 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -81.09 -52.64 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.972 -1.013 . . . . 99.99 109.537 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 64.21 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.224 1.409 . . . . 99.99 111.894 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -154.06 4.13 0.27 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.194 0.998 . . . . 99.99 110.069 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.66 -77.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.32 0.648 . . . . 99.99 110.6 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 41.69 -92.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.765 1.626 . . . . 99.99 112.219 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' E' ' 35' ' ' GLN . 0.0 OUTLIER -154.02 -6.51 0.16 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.997 0.519 . . . . 99.99 110.782 168.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.86 16.3 61.43 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 122.851 0.262 . . . . 99.99 113.142 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.09 155.5 30.53 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.182 0.593 . . . . 99.99 109.512 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.52 HD11 ' H ' ' E' ' 38' ' ' ILE . 0.2 OUTLIER -108.02 27.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.431 0.692 . . . . 99.99 111.411 -173.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -69.41 161.42 29.45 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.099 0.56 . . . . 99.99 110.834 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.81 81.45 0.21 Allowed Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.723 1.209 . . . . 99.99 110.43 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.12 -6.44 18.95 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 123.593 2.862 . . . . 99.99 114.458 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.95 83.39 0.06 OUTLIER Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.885 -0.486 . . . . 99.99 111.885 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.12 -132.41 3.27 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-O 118.696 -1.058 . . . . 99.99 110.618 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.603 1.561 . . . . 99.99 113.625 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -92.03 49.86 1.59 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.275 1.03 . . . . 99.99 111.435 -173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.67 25.36 13.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.335 1.054 . . . . 99.99 113.581 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.5 -83.28 0.05 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.662 -0.495 . . . . 99.99 109.662 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 20.2 m 50.88 67.38 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.642 1.177 . . . . 99.99 111.193 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.59 76.25 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 114.851 -1.068 . . . . 99.99 112.45 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.22 -55.95 28.16 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.845 1.658 . . . . 99.99 110.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -60.01 -47.59 85.23 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 114.416 -1.266 . . . . 99.99 110.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 24.1 m -65.65 -36.07 82.63 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.03 -0.986 . . . . 99.99 112.195 -173.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.96 -16.23 36.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.367 0.667 . . . . 99.99 111.959 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.83 -69.5 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.936 0.494 . . . . 99.99 111.991 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' E' ' 59' ' ' LEU . 1.3 pp -90.91 138.05 31.89 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.416 0.524 . . . . 99.99 112.416 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -179.5 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.938 1.295 . . . . 99.99 110.068 170.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -98.07 -81.25 0.44 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.801 -0.636 . . . . 99.99 112.362 -165.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -74.89 -14.09 60.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.523 0.729 . . . . 99.99 112.462 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' E' ' 55' ' ' LEU . 83.9 mt -90.25 48.96 1.62 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 175.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 58.4 p -77.54 -4.4 45.52 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.459 1.104 . . . . 99.99 111.455 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -78.71 67.51 4.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.499 -0.926 . . . . 99.99 108.499 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.621 ' HB3' ' HD2' ' E' ' 63' ' ' PRO . 63.8 mmtt -149.81 169.66 8.86 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 126.1 1.76 . . . . 99.99 108.638 -170.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' E' ' 62' ' ' LYS . 80.1 Cg_exo -7.16 75.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.412 3.893 1 C-N-CA 127.539 5.493 . . . . 99.99 117.155 -171.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 171.29 -50.39 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.092 2.157 . . . . 99.99 106.283 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -157.3 143.82 18.07 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.35 -1.75 . . . . 99.99 108.036 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -168.86 126.53 1.01 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.183 -0.673 . . . . 99.99 109.183 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 8.4 tt -79.16 111.89 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 109.268 -0.642 . . . . 99.99 109.268 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.48 -80.03 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 107.563 -1.273 . . . . 99.99 107.563 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.22 31.59 19.48 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.245 1.018 . . . . 99.99 111.963 174.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' B' ' 12' ' ' GLN . 11.2 mp -82.96 47.22 1.19 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.294 -0.879 . . . . 99.99 111.546 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 37.0 mt -134.38 137.16 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 107.933 -1.136 . . . . 99.99 107.933 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.29 151.09 19.9 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.454 0.472 . . . . 99.99 112.024 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.85 149.83 34.28 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.377 0.671 . . . . 99.99 110.513 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.67 120.12 6.65 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.056 -0.52 . . . . 99.99 112.438 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 55.1 mtm -128.32 156.48 42.99 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.387 1.075 . . . . 99.99 109.627 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.99 114.41 0.56 Allowed Glycine 0 C--N 1.348 1.248 0 N-CA-C 111.386 -0.686 . . . . 99.99 111.386 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.29 140.18 43.21 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.571 0.748 . . . . 99.99 110.578 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.8 t -81.12 -51.98 7.87 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.291 -0.868 . . . . 99.99 111.531 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.46 -22.22 26.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.616 HD12 HD12 ' B' ' 136' ' ' LEU . 18.1 pt 51.14 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 126.424 1.89 . . . . 99.99 115.397 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' B' ' 131' ' ' VAL . 2.1 p -142.74 109.14 5.31 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.483 1.113 . . . . 99.99 110.496 -174.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 -165.2 1.21 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.368 1.067 . . . . 99.99 111.734 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' E' ' 9' ' ' ALA . . . -82.43 67.27 8.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.943 0.897 . . . . 99.99 111.204 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' H ' ' E' ' 85' ' ' ASN . 9.3 tpp180 -171.96 -159.2 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.597 -0.89 . . . . 99.99 108.597 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . 0.517 ' H ' ' HG3' ' E' ' 84' ' ' ARG . 59.5 t30 -148.53 157.26 43.35 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.3 t80 73.76 155.7 0.17 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.759 1.224 . . . . 99.99 111.526 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.47 47.27 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.526 0.73 . . . . 99.99 109.676 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.66 -55.32 28.02 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.678 0.791 . . . . 99.99 111.128 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.2 0.43 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.663 -0.975 . . . . 99.99 110.663 -175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.51 -177.09 5.87 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.407 0.683 . . . . 99.99 110.254 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.48 82.71 1.55 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.896 -0.593 . . . . 99.99 113.56 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.13 -45.36 15.76 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 123.695 0.291 . . . . 99.99 113.123 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -141.99 144.34 33.63 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.219 1.008 . . . . 99.99 109.394 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -135.43 179.67 6.18 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.535 0.734 . . . . 99.99 111.301 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -130.83 111.52 12.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.518 1.127 . . . . 99.99 108.504 167.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.32 -51.07 0.04 OUTLIER Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.872 -0.491 . . . . 99.99 111.872 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.55 HG13 ' SD ' ' D' ' 94' ' ' MET . 0.8 OUTLIER -91.94 60.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-O 123.506 1.622 . . . . 99.99 107.059 172.322 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.65 -43.53 72.41 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.495 -1.684 . . . . 99.99 110.716 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.47 51.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.747 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.438 HD22 HG12 ' E' ' 97' ' ' ILE . 1.0 OUTLIER -150.29 111.33 3.24 Favored Pre-proline 0 C--O 1.237 0.446 0 N-CA-C 107.842 -1.169 . . . . 99.99 107.842 160.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.36 -20.48 70.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.482 2.122 . . . . 99.99 110.83 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 tt 73.62 -76.86 0.06 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 124.838 1.255 . . . . 99.99 109.072 167.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -149.03 139.24 22.26 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.116 1.366 . . . . 99.99 108.906 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.58 34.36 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.672 0.608 . . . . 99.99 112.456 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 58.15 33.55 23.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.264 1.426 . . . . 99.99 112.453 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 86.0 t80 63.85 81.71 0.2 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.377 1.071 . . . . 99.99 111.722 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m 57.85 89.22 0.05 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.704 1.602 . . . . 99.99 113.747 170.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -87.91 -7.94 56.47 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.704 -0.68 . . . . 99.99 111.392 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.82 73.53 10.29 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 108.485 -0.931 . . . . 99.99 108.485 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.04 119.72 23.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.763 -1.108 . . . . 99.99 109.89 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.774 ' HB2' ' HA ' ' D' ' 45' ' ' ASP . 2.3 mm? -74.51 -28.75 61.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.409 0.684 . . . . 99.99 109.61 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.58 88.97 0.51 Allowed 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . 0.46 ' HB3' ' HA ' ' E' ' 118' ' ' PRO . 65.5 tttp -93.0 96.96 10.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.835 0.854 . . . . 99.99 108.975 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -69.67 -31.67 69.85 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.064 0.946 . . . . 99.99 111.317 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 25.6 p -71.38 90.49 0.96 Allowed 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.703 0.801 . . . . 99.99 109.989 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.61 -144.84 27.07 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-N 114.978 -1.01 . . . . 99.99 111.874 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -95.88 128.88 35.86 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.68 1.192 . . . . 99.99 109.228 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . 0.46 ' HA ' ' HB3' ' E' ' 113' ' ' LYS . 11.2 Cg_exo -71.27 75.91 1.81 Allowed 'Trans proline' 0 C--N 1.386 2.535 0 C-N-CA 123.709 2.94 . . . . 99.99 113.872 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . 0.611 ' HB3' ' HG ' ' D' ' 136' ' ' LEU . 37.6 t70 54.84 -94.73 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.504 1.522 . . . . 99.99 113.531 170.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' E' ' 334' ' ' LYS . 12.3 p90 -108.01 -4.59 17.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.126 0.57 . . . . 99.99 112.216 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' D' ' 43' ' ' ASP . 11.9 t -84.83 77.8 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 CA-C-O 121.61 0.719 . . . . 99.99 110.114 -168.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -130.18 -168.62 1.99 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.215 -1.357 . . . . 99.99 109.644 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 p30 49.75 -75.51 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 127.323 2.249 . . . . 99.99 113.993 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 11.4 m 60.43 40.62 17.04 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.336 1.055 . . . . 99.99 110.228 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.72 92.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.723 -1.126 . . . . 99.99 112.825 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.46 134.54 34.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.866 1.266 . . . . 99.99 108.11 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 70.3 p -124.5 150.81 45.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 122.806 0.442 . . . . 99.99 111.71 -173.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -171.99 -164.84 0.32 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.787 1.235 . . . . 99.95 109.246 174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.8 t -141.85 158.4 43.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.544 0.738 . . . . 99.99 109.741 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' D' ' 124' ' ' PRO . . . -99.26 171.17 8.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.983 0.513 . . . . 99.99 110.414 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.438 ' CD2' ' HA ' ' A' ' 124' ' ' PRO . 1.4 p90 -163.55 -176.48 4.71 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.893 0.877 . . . . 99.99 110.427 -170.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -176.13 141.56 0.45 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.178 0.991 . . . . 99.99 110.996 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 20.5 p -137.72 164.28 29.26 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.802 1.241 . . . . 99.99 109.472 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.6 151.65 18.6 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.213 0.321 . . . . 99.66 113.733 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.551 HG11 ' HB3' ' A' ' 127' ' ' ASN . 12.4 m -122.86 -170.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.081 0.952 . . . . 99.99 109.238 174.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.618 ' HA ' HD12 ' C' ' 13' ' ' ILE . 26.2 tttm -168.61 178.61 4.65 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.012 0.82 . . . . 99.99 108.805 164.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 91.8 m 71.91 117.38 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.665 1.186 . . . . 99.99 112.786 173.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -95.82 157.19 16.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.606 1.163 . . . . 99.99 110.6 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' A' ' 105' ' ' ILE . 2.6 p-10 -96.41 178.78 5.25 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.79 0.836 . . . . 99.99 111.803 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.05 100.01 1.33 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 110.395 -1.082 . . . . 99.99 110.395 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -85.56 151.78 23.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.442 0.697 . . . . 99.99 110.673 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -126.86 -70.68 0.71 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.07 0.548 . . . . 99.99 110.671 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 168.29 -164.84 38.34 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.729 -0.669 . . . . 99.99 111.825 -174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.85 156.98 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.254 0.622 . . . . 99.99 109.405 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.542 ' HB2' HE21 ' A' ' 12' ' ' GLN . 35.6 t70 -142.59 112.69 7.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 147.65 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.582 0.753 . . . . 99.99 110.653 -173.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -83.54 136.73 34.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -65.32 133.63 51.84 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.522 0.514 . . . . 99.99 110.926 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.637 ' HE2' ' HB3' ' B' ' 35' ' ' ASP . 29.8 mmmt -117.72 133.28 56.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.133 0.573 . . . . 99.99 112.338 -174.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -81.64 162.36 23.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.905 0.882 . . . . 99.99 109.796 171.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -92.16 104.63 11.28 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.673 1.189 . . . . 99.99 110.387 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.44 86.19 1.7 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.443 2.096 . . . . 99.99 111.384 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 38.4 p -92.52 -67.7 0.84 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.471 0.708 . . . . 99.99 109.996 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 11.0 tp -83.3 -6.58 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.315 0.646 . . . . 99.99 111.244 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.58 -43.72 89.58 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.576 0.75 . . . . 99.99 110.633 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -145.73 138.44 25.81 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.044 0.537 . . . . 99.99 110.291 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 57.4 ttp -145.01 106.74 4.26 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.52 81.09 6.86 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.71 0.766 . . . . 99.99 110.839 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -79.24 -22.62 44.54 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 114.728 -1.124 . . . . 99.99 110.37 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.7 53.58 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.988 1.315 . . . . 99.99 114.418 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -67.04 -24.41 65.99 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.36 0.664 . . . . 99.99 111.93 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.23 78.4 0.68 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.817 -0.513 . . . . 99.99 111.817 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.23 -16.09 62.48 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.398 1.079 . . . . 99.99 112.306 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 77.29 160.8 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.367 1.467 . . . . 99.99 113.66 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 m 72.41 138.3 0.05 Allowed 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 125.536 1.534 . . . . 99.99 112.043 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -112.63 -156.74 12.83 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.929 -0.578 . . . . 99.99 112.703 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.27 88.39 0.44 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.675 0.79 . . . . 99.99 109.492 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.38 10.11 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.83 0.852 . . . . 99.99 110.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 34.1 p -130.31 17.22 5.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.834 0.853 . . . . 99.99 110.746 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 48.6 p 51.36 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.43 1.892 . . . . 99.99 113.87 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -105.0 -47.38 4.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.918 0.887 . . . . 99.99 108.78 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . 0.546 ' HB3' ' HD3' ' E' ' 319' ' ' PRO . 11.7 mm-40 68.64 177.62 0.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.452 1.501 . . . . 99.99 112.866 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' E' ' 319' ' ' PRO . 7.1 mp -76.37 140.01 41.22 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.918 0.487 . . . . 99.99 110.193 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.6 ' HA ' ' HB2' ' E' ' 317' ' ' SER . 15.0 pt20 -70.5 95.64 1.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.535 0.683 . . . . 99.99 109.486 172.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -144.49 -51.7 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.757 0.823 . . . . 99.99 109.367 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 64.58 -106.45 0.15 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.431 1.093 . . . . 99.99 109.302 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 85.7 m 63.6 141.94 0.06 OUTLIER Pre-proline 0 CA--C 1.569 1.706 0 C-N-CA 124.475 1.11 . . . . 99.99 112.479 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.26 -165.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.7 2.267 . . . . 99.99 113.394 170.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.28 67.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.406 0.683 . . . . 99.99 111.666 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 52.68 86.78 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.439 1.495 . . . . 99.99 112.728 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 119.3 30.24 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 173.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.27 136.65 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.255 0.622 . . . . 99.99 110.641 -167.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 54.13 -70.08 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.574 1.95 . . . . 99.99 114.796 168.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -48.8 -52.58 23.23 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.93 1.292 . . . . 99.99 112.12 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 87.7 t 60.66 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 125.114 1.366 . . . . 99.99 111.952 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 3.8 m 63.89 35.47 10.91 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.654 1.181 . . . . 99.99 111.31 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.6 t -98.33 -8.68 26.65 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.894 -0.594 . . . . 99.99 111.386 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -159.39 153.58 23.66 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.621 0.769 . . . . 99.99 109.605 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -78.96 87.56 4.78 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.137 0.575 . . . . 99.99 110.998 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 56.7 m 68.44 -68.78 0.16 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.754 1.621 . . . . 99.99 113.129 170.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 58.7 t80 69.62 26.8 4.92 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.686 1.194 . . . . 99.99 111.127 174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -129.0 157.61 21.68 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-O 119.376 -0.68 . . . . 99.99 112.375 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.73 156.32 66.48 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.182 2.588 . . . . 99.99 111.985 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.0 t -87.2 7.46 28.23 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.325 0.65 . . . . 99.99 111.272 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 66.26 19.11 11.04 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.635 1.174 . . . . 99.99 111.333 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.4 m 62.03 -79.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.112 1.365 . . . . 99.99 110.916 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 t -165.65 -165.42 0.83 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.247 1.419 . . . . 99.99 107.495 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.12 -45.01 0.85 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.762 -1.199 . . . . 99.99 107.762 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -153.32 151.23 29.75 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.807 -1.542 . . . . 99.99 107.49 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.2 m 66.83 86.73 0.13 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.501 1.12 . . . . 99.99 109.753 -172.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -72.3 83.92 1.2 Allowed 'Trans proline' 0 C--N 1.382 2.335 0 C-N-CA 123.254 2.636 . . . . 99.99 111.031 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.71 122.06 0.89 Allowed Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.787 -0.642 . . . . 99.99 111.577 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -157.7 122.14 4.28 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.312 -0.995 . . . . 99.99 108.312 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.15 105.18 1.03 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.761 0.824 . . . . 99.99 112.119 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 92.9 mt 54.94 25.26 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.288 1.435 . . . . 99.99 111.827 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.76 -77.77 0.03 OUTLIER 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.969 1.308 . . . . 99.99 109.5 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -157.04 15.54 0.28 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.777 0.831 . . . . 99.99 110.628 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 -123.89 34.45 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 119.978 -0.346 . . . . 99.99 112.349 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 71.56 168.83 9.81 Favored Glycine 0 C--N 1.349 1.271 0 N-CA-C 114.301 0.48 . . . . 99.99 114.301 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -136.34 -29.14 0.99 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 99.99 111.374 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 64.19 -100.17 0.38 Allowed Glycine 0 C--N 1.343 0.949 0 N-CA-C 110.548 -1.021 . . . . 99.99 110.548 -167.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 20.2 t 76.28 -41.39 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.109 1.764 . . . . 99.99 113.035 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.1 mt -78.66 80.6 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 124.612 1.165 . . . . 99.99 108.881 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 38.2 p -125.51 3.25 7.64 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.681 1.193 . . . . 99.99 110.545 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -20.15 65.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.021 0.929 . . . . 99.99 111.844 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -68.53 -27.41 66.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.113 0.565 . . . . 99.99 111.213 171.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 17.1 tp -104.76 9.89 34.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.65 0.78 . . . . 99.99 110.733 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 37.7 tp -57.69 120.44 8.37 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.358 0.663 . . . . 99.99 109.849 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 56.17 80.74 0.14 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.317 1.047 . . . . 99.99 109.614 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.29 22.49 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.511 -0.768 . . . . 99.99 109.803 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.76 141.67 28.7 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.64 161.07 0.23 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.851 1.261 . . . . 99.99 111.446 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.84 -71.6 0.37 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.27 0.628 . . . . 99.99 109.801 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.435 HG22 HD11 ' E' ' 226' ' ' LEU . 9.4 p -133.01 143.0 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 172.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 11.6 p -113.81 80.93 1.44 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.895 0.878 . . . . 99.99 110.062 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . 0.435 HD11 HG22 ' E' ' 224' ' ' VAL . 6.3 mp -112.41 -2.33 14.77 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.043 1.337 . . . . 99.99 110.125 172.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.82 16.12 79.59 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.437 0.461 . . . . 99.99 112.668 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 159.2 -59.61 0.32 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.809 -0.916 . . . . 99.99 110.809 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' B' ' 6' ' ' ASN . . . 147.38 -155.21 26.4 Favored Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.928 -0.469 . . . . 99.99 111.928 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -82.31 -36.16 27.23 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 99.99 110.758 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 68.93 -70.61 0.13 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.279 1.431 . . . . 99.99 111.345 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 9.0 t -136.79 6.2 2.91 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.955 0.902 . . . . 99.99 110.771 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 90.7 t80 62.46 -81.71 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.929 1.292 . . . . 99.99 110.564 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -82.05 118.13 22.78 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.599 -1.26 . . . . 99.99 107.599 172.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.8 128.1 34.87 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.906 0.754 . . . . 99.99 110.047 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 10.3 m 67.61 6.18 4.84 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.497 1.119 . . . . 99.99 112.338 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.13 34.79 23.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.189 0.996 . . . . 99.99 110.679 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 238' ' ' THR . . . . . 0.591 ' HA ' HD22 ' E' ' 332' ' ' LEU . 66.5 m 75.34 -61.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.847 1.659 . . . . 99.99 112.744 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.37 -65.98 1.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.024 0.53 . . . . 99.99 110.625 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 151.85 -159.64 28.41 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 116.353 -0.385 . . . . 99.99 112.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -93.54 68.67 4.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.111 0.965 . . . . 99.99 111.768 -173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 72.6 m95 63.29 122.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.897 1.279 . . . . 99.99 113.303 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -143.27 115.78 8.59 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.565 1.146 . . . . 99.99 108.021 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 168.68 -126.2 1.36 Allowed Glycine 0 C--N 1.354 1.529 0 C-N-CA 121.536 -0.364 . . . . 99.99 113.642 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -67.3 136.91 55.61 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.732 0.813 . . . . 99.99 112.983 -171.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 3.8 t -175.43 -61.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.095 1.497 . . . . 99.99 110.444 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.09 72.41 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.864 0.866 . . . . 99.99 113.235 -165.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.87 -30.35 58.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 117.851 0.296 . . . . 99.99 110.981 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.5 -36.02 63.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.599 0.562 . . . . 99.99 110.485 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.8 -29.54 66.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.734 0.414 . . . . 99.99 110.369 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -79.07 -13.86 59.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.214 1.006 . . . . 99.99 112.766 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -57.93 -35.7 71.46 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.418 0.687 . . . . 99.99 112.27 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -71.77 -26.23 62.36 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.185 0.594 . . . . 99.99 111.392 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 63.24 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.806 1.642 . . . . 99.99 110.907 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -140.76 -140.97 3.93 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.236 -0.746 . . . . 99.99 111.236 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -131.88 -31.43 1.52 Allowed 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.201 1.001 . . . . 99.99 110.241 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 58.67 -140.39 0.74 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.86 -1.067 . . . . 99.99 109.208 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 tt 69.59 -69.92 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.994 1.318 . . . . 99.99 108.742 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.6 -64.69 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 168.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.5 m 73.37 -43.38 0.55 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.777 1.631 . . . . 99.99 114.626 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 37.1 t70 52.97 61.46 3.17 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.364 1.078 . . . . 99.99 109.179 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.66 49.74 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.091 -1.413 . . . . 99.99 112.069 -174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -52.34 -51.89 56.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.238 1.415 . . . . 99.99 113.703 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 47.1 t -126.27 -57.56 1.39 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.343 0.657 . . . . 99.99 111.268 -170.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.94 23.01 13.19 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.691 1.197 . . . . 99.99 109.357 -172.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.1 t30 52.48 89.84 0.03 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.493 1.517 . . . . 99.99 111.304 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 7.3 m 59.18 -85.12 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.005 1.322 . . . . 99.99 111.123 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 12.8 p -171.25 27.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.653 1.581 . . . . 99.99 107.889 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 70.0 p 53.68 26.69 6.08 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 126.249 1.82 . . . . 99.99 113.138 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -170.79 111.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.776 0.83 . . . . 99.99 109.297 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.03 -61.15 2.86 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.691 0.796 . . . . 99.99 112.781 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -114.83 -60.47 1.88 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.55 -0.537 . . . . 99.99 109.55 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 178.95 175.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.795 1.238 . . . . 99.99 108.365 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -74.03 13.23 0.56 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.174 0.99 . . . . 99.99 112.272 171.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -60.51 166.47 4.21 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 125.256 1.422 . . . . 99.99 112.101 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.15 119.41 4.42 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.921 2.414 . . . . 99.99 111.972 167.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.437 ' HG ' ' HE1' ' C' ' 94' ' ' MET . 13.7 tp -141.37 -54.48 0.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.744 -0.662 . . . . 99.99 109.57 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.645 ' HB3' ' SD ' ' C' ' 94' ' ' MET . 1.4 pp -151.95 -174.38 4.84 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.228 0.611 . . . . 99.99 112.299 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 109.5 61.65 0.52 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.275 -0.875 . . . . 99.99 112.525 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.403 ' O ' HD23 ' C' ' 98' ' ' LEU . 3.8 pp -149.21 142.25 24.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 110.06 -0.348 . . . . 99.99 110.06 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.428 ' HD1' HG21 ' C' ' 46' ' ' THR . 77.1 m-85 -116.46 100.64 8.0 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 170.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -70.31 98.32 1.37 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.169 0.588 . . . . 99.99 110.222 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.83 -35.02 77.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.163 0.985 . . . . 99.99 111.381 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 70.81 -85.04 0.37 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.26 30.52 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.428 1.091 . . . . 99.99 108.677 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.8 107.98 1.72 Allowed Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 109.446 -0.575 . . . . 99.99 109.446 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.52 103.24 1.57 Allowed 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.399 2.066 . . . . 99.99 110.862 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.78 79.42 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.756 0.788 . . . . 99.99 109.136 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.68 130.26 39.69 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.431 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 -76.35 178.63 6.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 -171.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.431 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 168.35 134.81 1.78 Allowed Glycine 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.24 -28.19 55.81 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.968 2.445 . . . . 99.99 112.303 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -159.53 13.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.545 -1.207 . . . . 99.99 109.255 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 67.9 167.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.173 1.389 . . . . 99.99 112.043 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.407 ' HG1' HD13 ' C' ' 126' ' ' LEU . 21.4 m -80.26 -76.18 0.23 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.492 0.717 . . . . 99.99 110.358 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -83.48 78.22 9.69 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.551 -0.907 . . . . 99.99 108.551 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -155.19 119.23 4.61 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.541 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 154.35 -155.98 26.55 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.609 -0.596 . . . . 99.99 111.609 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.4 106.22 8.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.492 ' HB ' ' CH2' ' C' ' 36' ' ' TRP . 61.6 mt -126.5 98.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.512 -0.921 . . . . 99.99 108.512 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -138.88 -17.78 1.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.299 1.04 . . . . 99.99 109.696 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.637 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 0.1 OUTLIER -109.52 102.75 50.89 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.743 1.217 . . . . 99.99 110.22 -172.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -88.36 -83.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.658 2.239 . . . . 99.99 110.093 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' E' ' 2' ' ' LYS . . . 52.28 74.77 0.26 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.975 1.31 . . . . 99.99 113.573 165.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.73 108.14 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.456 0.702 . . . . 99.99 110.09 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 44.5 p -137.97 152.22 48.7 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.168 0.987 . . . . 99.99 110.571 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 63.5 m -145.39 119.05 9.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.327 0.651 . . . . 99.99 109.407 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 9.1 t -66.57 143.52 98.21 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 123.934 0.894 . . . . 99.99 111.465 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.56 170.82 19.42 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.964 2.442 . . . . 99.99 112.946 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . 0.459 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 7.1 p30 -176.01 -30.45 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.608 0 C-N-CA 124.65 1.18 . . . . 99.99 112.844 -170.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.459 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 58.5 Cg_endo -84.5 45.46 1.71 Allowed 'Trans proline' 0 C--N 1.412 3.883 0 CA-C-N 122.807 2.038 . . . . 99.99 110.293 168.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.69 51.49 1.16 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.006 1.322 . . . . 99.99 110.252 -168.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -150.04 116.16 5.68 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.247 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.86 -171.28 3.34 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 125.676 1.59 . . . . 99.99 107.016 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -146.76 73.29 1.31 Allowed 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.369 0.604 . . . . 99.99 110.539 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 317' ' ' SER . . . . . 0.6 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 70.9 m -144.49 148.19 34.22 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.381 -0.827 . . . . 99.99 109.315 169.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.63 145.68 30.89 Favored Pre-proline 0 N--CA 1.489 1.497 0 C-N-CA 123.089 0.556 . . . . 99.99 110.908 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . 0.577 ' HB3' ' HB2' ' E' ' 173' ' ' LEU . 72.0 Cg_endo -82.37 118.05 2.86 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.677 2.252 . . . . 99.99 112.338 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 57.5 p -120.86 -73.78 0.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.551 0.74 . . . . 99.99 110.761 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 34.8 tp -103.6 -22.66 13.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.413 0.685 . . . . 99.99 112.677 -168.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -65.01 -9.78 24.45 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -20.43 60.21 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.921 0.889 . . . . 99.99 110.453 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 98.3 mmm 76.74 -65.94 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.056 1.742 . . . . 99.99 112.094 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 26.5 m 65.46 -81.09 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 125.161 1.384 . . . . 99.99 112.281 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.22 -57.93 10.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.243 1.017 . . . . 99.99 111.274 -173.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.628 ' HD3' ' HA ' ' E' ' 331' ' ' LEU . 1.4 tmtm? -75.56 18.02 0.25 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.988 0.915 . . . . 99.99 112.76 -170.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -83.01 -59.94 2.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.407 0.683 . . . . 99.99 109.847 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 41.4 pt -86.84 -27.03 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.125 0.57 . . . . 99.99 110.94 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.85 -8.59 58.27 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.466 1.107 . . . . 99.99 110.23 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.628 ' HA ' ' HD3' ' E' ' 327' ' ' LYS . 6.3 tt -47.88 -63.61 1.02 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.953 1.301 . . . . 99.99 111.226 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' E' ' 238' ' ' THR . 1.3 tt -158.54 -63.84 0.08 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.665 -0.865 . . . . 99.99 108.665 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.1 t 65.32 -176.52 0.18 Allowed 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.534 1.146 . . . . 99.99 109.775 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' E' ' 120' ' ' TYR . 23.3 mmtp -147.42 106.53 3.87 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.465 -0.569 . . . . 99.99 109.465 177.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -147.4 165.93 28.71 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.562 1.145 . . . . 99.99 109.434 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.424 ' HG2' HG21 ' E' ' 384' ' ' THR . 10.3 tp10 -71.73 126.31 29.38 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.195 0.598 . . . . 99.99 110.088 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 64.85 25.1 12.83 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.494 1.117 . . . . 99.99 111.263 -170.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.9 81.43 1.28 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.795 -1.322 . . . . 99.99 109.795 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.0 t80 72.66 131.19 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.909 1.684 . . . . 99.99 109.838 -166.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -66.65 101.88 0.85 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.561 0.744 . . . . 99.99 110.048 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . 0.464 HD13 ' N ' ' E' ' 342' ' ' GLN . 0.8 OUTLIER -148.94 152.98 37.32 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.677 -0.86 . . . . 99.99 108.677 -176.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . 0.464 ' N ' HD13 ' E' ' 341' ' ' LEU . 63.1 tt0 -60.67 108.08 0.78 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.289 1.036 . . . . 99.99 110.905 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.73 167.84 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.774 0.829 . . . . 99.99 110.873 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -66.68 116.14 7.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.894 0.478 . . . . 99.99 110.385 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.03 21.61 0.07 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 123.841 0.713 . . . . 99.99 112.238 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -87.54 -49.14 7.38 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.616 0.766 . . . . 99.99 110.272 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 26.4 m -81.59 104.66 12.16 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.074 -0.967 . . . . 99.99 109.887 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . 0.451 ' H ' HD11 ' E' ' 348' ' ' ILE . 0.2 OUTLIER -71.77 156.78 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.957 0.503 . . . . 99.99 110.332 172.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.89 104.64 2.12 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.491 -0.777 . . . . 99.99 111.356 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 64.26 -81.36 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.491 1.517 . . . . 99.99 112.814 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -71.1 109.34 5.11 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.011 0.524 . . . . 99.99 111.634 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.89 -60.43 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.819 -1.082 . . . . 99.99 109.509 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -93.51 -27.72 16.5 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.362 0.665 . . . . 99.99 110.991 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.47 -87.16 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.11 1.364 . . . . 99.99 111.78 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 56.4 87.01 0.06 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.928 1.291 . . . . 99.99 112.635 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -78.67 -31.86 0.78 Allowed Pre-proline 0 CA--C 1.573 1.864 0 CA-C-O 117.436 -1.269 . . . . 99.99 113.429 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.38 90.48 0.27 Allowed 'Trans proline' 0 C--N 1.407 3.644 0 CA-C-N 122.643 1.98 . . . . 99.99 112.343 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.0 m -133.9 -2.71 2.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.027 0.931 . . . . 99.99 111.072 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -82.3 -17.16 69.74 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-O 119.255 -0.747 . . . . 99.99 113.61 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.63 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 125.055 1.342 . . . . 99.99 109.571 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 4.0 tt -117.59 -42.21 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 99.99 108.983 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . 0.579 ' HA3' ' HB ' ' E' ' 365' ' ' VAL . . . 81.94 -65.28 4.08 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.25 -0.886 . . . . 99.99 111.417 -173.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 60.73 104.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.153 1.381 . . . . 99.99 110.42 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 7.7 m 64.08 38.22 8.59 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.912 1.339 . . . . 99.99 108.339 -166.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . 0.579 ' HB ' ' HA3' ' E' ' 362' ' ' GLY . 13.9 p -77.11 148.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 113.925 -1.489 . . . . 99.99 110.156 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.47 113.04 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.294 -0.632 . . . . 99.99 109.294 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.77 -6.11 50.91 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.963 0.905 . . . . 99.99 111.202 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -56.55 -29.51 62.05 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.917 1.287 . . . . 99.99 111.736 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.91 -23.29 67.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.277 1.031 . . . . 99.99 112.115 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.59 67.53 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.931 0.893 . . . . 99.99 113.176 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.32 -19.72 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.228 0.611 . . . . 99.99 112.022 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.53 -18.31 51.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.26 1.024 . . . . 99.99 112.411 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.68 -24.65 67.64 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 99.99 111.825 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.69 74.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.94 0.496 . . . . 99.99 110.741 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.21 -27.57 60.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.451 0.701 . . . . 99.99 110.842 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.13 -40.26 90.51 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.301 0.641 . . . . 99.99 110.034 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.53 -27.57 64.26 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.692 -0.685 . . . . 99.99 110.813 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.4 -16.58 64.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.851 0.46 . . . . 99.99 111.933 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -86.4 1.53 50.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.876 0.87 . . . . 99.99 112.586 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.78 -46.15 76.22 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 110.132 -0.321 . . . . 99.99 110.132 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 66.5 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.781 1.301 . . . . 99.99 111.195 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -74.15 80.37 0.85 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.086 -1.606 . . . . 99.99 109.086 168.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.5 84.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.168 1.387 . . . . 99.99 112.159 -167.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 384' ' ' THR . . . . . 0.424 HG21 ' HG2' ' E' ' 336' ' ' GLU . 11.2 m 54.07 -66.14 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.586 2.354 . . . . 99.99 114.435 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 87.0 mt 81.61 -55.83 0.26 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.56 1.944 . . . . 99.99 110.314 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.02 149.85 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.466 0.706 . . . . 99.99 110.76 173.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . 0.506 ' H ' HD11 ' E' ' 387' ' ' ILE . 0.2 OUTLIER -116.44 143.71 25.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 C-N-CA 123.562 0.745 . . . . 99.99 109.379 177.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.51 152.52 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 109.103 -0.702 . . . . 99.99 109.103 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.8 t -99.96 160.97 13.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.999 0.52 . . . . 99.99 111.308 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -138.75 92.34 2.61 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.765 0.826 . . . . 99.99 109.28 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.22 149.51 33.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.563 0.745 . . . . 99.99 110.32 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -117.91 -178.77 3.57 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.64 0.776 . . . . 99.99 110.297 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -74.45 88.33 2.1 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.217 0.532 . . . . 99.99 111.336 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.79 -38.01 14.98 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.204 1.002 . . . . 99.99 110.947 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.59 143.9 34.33 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.297 0.639 . . . . 99.99 109.301 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.2 t -81.9 -60.38 2.25 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 122.507 0.323 . . . . 99.99 110.471 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' E' ' 402' ' ' ASP . 22.4 mm-40 59.33 -164.85 0.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.574 1.15 . . . . 99.99 111.136 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . 0.448 HG21 HG22 ' E' ' 399' ' ' VAL . 57.8 mt 69.15 154.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 124.637 1.175 . . . . 99.99 111.381 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.619 ' HA ' ' HA3' ' E' ' 407' ' ' GLY . 24.8 t 62.06 65.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.177 1.391 . . . . 99.99 109.2 -176.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . 0.273 . . 101.34 -72.3 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.691 0 C-N-CA 127.9 2.48 . . . . 99.99 112.676 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.58 128.24 12.46 Favored 'Trans proline' 0 C--N 1.398 3.173 0 CA-C-N 122.847 2.052 . . . . 99.99 112.152 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' E' ' 397' ' ' GLN . 25.6 t70 64.76 126.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.162 1.385 . . . . 99.99 112.479 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 29.4 m 77.25 -49.05 0.53 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.535 1.534 . . . . 99.99 111.36 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 78.15 -54.45 0.5 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.004 1.722 . . . . 99.99 112.252 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . 0.407 ' HB2' ' HD3' ' E' ' 406' ' ' PRO . . . -46.76 -48.96 49.61 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.902 1.281 . . . . 99.99 114.084 -172.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' E' ' 405' ' ' ALA . 6.2 Cg_exo -75.93 85.57 1.62 Allowed 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 121.752 1.635 . . . . 99.99 109.583 171.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . 0.619 ' HA3' ' HA ' ' E' ' 399' ' ' VAL . . . 147.62 -23.39 1.5 Allowed Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.842 -0.617 . . . . 99.99 112.802 -176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . 0.401 HD12 ' NE2' ' E' ' 410' ' ' GLN . 87.0 mt -69.62 -60.51 2.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.863 0.465 . . . . 99.99 110.602 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 29.4 m 58.82 86.67 0.08 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.203 1.001 . . . . 99.99 111.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . 0.401 ' NE2' HD12 ' E' ' 408' ' ' LEU . 29.1 pt20 -160.78 149.4 16.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.898 0.479 . . . . 99.99 111.191 -172.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.93 10.0 3.32 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.941 1.296 . . . . 99.99 113.676 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 1.5 pp -88.68 -7.54 56.16 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.373 0.669 . . . . 99.99 111.454 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 65.8 t30 68.18 170.88 0.28 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.387 1.475 . . . . 99.99 111.222 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.5 t -100.23 -176.42 3.22 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.566 -0.708 . . . . 99.99 109.609 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.55 37.6 0.75 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 99.99 111.406 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.04 -33.72 29.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 99.99 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.03 76.54 1.04 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.513 0.508 . . . . 99.99 113.599 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -73.25 94.44 2.0 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.968 0.907 . . . . 99.99 110.334 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.02 22.9 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.662 0 C-N-CA 124.766 1.226 . . . . 99.99 110.309 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 53.49 37.23 25.22 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.838 1.255 . . . . 99.99 111.383 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.57 84.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.426 1.49 . . . . 99.99 111.495 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 18.8 ttt 57.8 23.18 9.34 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.262 1.425 . . . . 99.99 112.774 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 28.0 t -91.51 -179.75 5.45 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 109.217 -0.66 . . . . 99.99 109.217 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 62.81 110.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.753 1.221 . . . . 99.99 112.553 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 86.72 -54.18 4.59 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.743 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.39 84.16 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.664 1.185 . . . . 99.99 110.849 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.0 p 174.53 -44.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.913 1.685 . . . . 99.99 108.025 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . 0.672 ' HB3' ' H ' ' E' ' 435' ' ' THR . 1.6 mp0 64.07 8.55 4.07 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.569 1.548 . . . . 99.99 112.658 -175.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -85.15 -5.93 59.31 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.758 0.823 . . . . 99.99 112.739 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.68 -61.45 2.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.548 1.139 . . . . 99.99 113.354 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 16.8 m -87.27 -63.6 1.28 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.606 -0.27 . . . . 99.99 111.347 -173.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -96.11 -67.95 0.82 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.422 0.527 . . . . 99.99 112.422 -175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 176.95 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.85 1.26 . . . . 99.99 108.765 -166.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -160.85 118.57 2.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.451 -1.314 . . . . 99.99 107.451 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 435' ' ' THR . . . . . 0.672 ' H ' ' HB3' ' E' ' 428' ' ' GLU . 24.8 m -69.33 85.32 0.4 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.032 0.933 . . . . 99.99 110.19 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.74 49.98 0.5 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 114.83 -1.077 . . . . 99.99 110.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 61.1 p 46.59 80.38 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.653 1.581 . . . . 99.99 112.065 -174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -43.11 15.07 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.826 -1.079 . . . . 99.99 110.072 -172.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.59 -47.6 39.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.732 0.813 . . . . 99.99 110.992 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 77.8 -25.97 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.802 1.641 . . . . 99.99 111.844 -170.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.0 mp 78.0 -39.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.96 1.704 . . . . 99.99 111.552 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -58.68 116.01 3.43 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.459 1.103 . . . . 99.99 111.09 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -132.84 -53.03 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.746 0.818 . . . . 99.99 109.67 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 61.95 -173.94 0.14 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.465 1.106 . . . . 99.99 111.062 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' E' ' 446' ' ' PRO . . . -160.62 139.48 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.918 -0.935 . . . . 99.99 110.924 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' E' ' 445' ' ' GLY . 22.5 Cg_exo -68.74 125.5 12.76 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.517 2.144 . . . . 99.99 111.622 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -89.17 -30.04 18.86 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.547 0.529 . . . . 99.99 110.755 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 56.14 -164.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 118.195 -0.907 . . . . 99.99 111.508 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.67 122.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.596 1.158 . . . . 99.99 111.273 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.63 -32.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.063 0.945 . . . . 99.99 110.901 163.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.453 HG13 HG13 ' E' ' 452' ' ' VAL . 97.1 t -67.25 -89.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 122.79 0.436 . . . . 99.99 111.394 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.453 HG13 HG13 ' E' ' 451' ' ' VAL . 15.7 m -88.72 -27.37 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.095 0.558 . . . . 99.99 111.17 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 98.34 -103.35 2.78 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-O 119.391 -0.672 . . . . 99.99 111.556 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 56' ' ' TYR . 4.2 tt 60.43 89.23 0.07 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.876 1.27 . . . . 99.99 108.463 -167.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 91.6 m -108.27 107.07 17.52 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.688 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.0 t70 67.34 -84.48 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.637 1.175 . . . . 99.99 112.82 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -111.68 179.79 3.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.111 0.564 . . . . 99.99 112.521 -165.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 8.8 t -148.11 162.34 39.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.519 1.128 . . . . 99.99 109.434 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -114.09 112.77 23.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.482 0.713 . . . . 99.99 110.097 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 4.6 pp -79.58 145.3 33.18 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.134 -0.691 . . . . 99.99 109.134 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -95.2 -34.32 12.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 119.104 -0.474 . . . . 99.99 111.396 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 71.0 155.84 0.15 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.853 0.861 . . . . 99.99 111.936 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 463' ' ' THR . . . . . 0.535 HG23 ' HD3' ' E' ' 465' ' ' LYS . 0.0 OUTLIER -171.34 98.56 0.2 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.626 1.17 . . . . 99.99 108.954 168.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.427 ' HA ' ' HE2' ' E' ' 464' ' ' MET . 23.5 mmt -101.6 37.24 1.85 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.333 0.653 . . . . 99.99 109.847 175.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.535 ' HD3' HG23 ' E' ' 463' ' ' THR . 4.0 mptp? -88.54 41.02 0.99 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.076 0.951 . . . . 99.99 109.394 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -155.62 145.04 20.99 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.222 1.009 . . . . 99.99 109.59 -170.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.46 169.77 22.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 99.99 109.736 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.7 pp -158.32 158.12 33.74 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.538 0.735 . . . . 99.99 109.699 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.27 141.74 25.31 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 110.505 -1.038 . . . . 99.99 110.505 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.537 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 3.1 tm? -59.32 -37.66 78.33 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.013 0.925 . . . . 99.99 110.905 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 C-N-CA 124.017 0.927 . . . . 99.99 110.553 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.652 -0.869 . . . . 99.99 108.652 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -98.57 2.79 47.76 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.159 0.584 . . . . 99.99 110.622 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 161.29 31.19 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.672 0.789 . . . . 99.99 109.241 173.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 66.56 15.16 10.03 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.157 0.983 . . . . 99.99 109.711 -166.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.27 102.15 0.02 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.628 1.571 . . . . 99.99 111.209 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' C' ' 151' ' ' GLU . 2.2 m-20 73.19 174.61 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.111 1.364 . . . . 99.99 111.66 177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.3 p -91.53 46.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.49 0.716 . . . . 99.99 111.643 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.95 -26.0 64.84 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 167.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.46 137.39 48.43 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.463 1.105 . . . . 99.99 110.624 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -138.92 116.98 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.517 -1.29 . . . . 99.99 107.517 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -135.63 118.16 15.88 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -137.1 135.82 37.78 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.331 0.652 . . . . 99.99 109.811 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 99.99 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 34.4 108.959 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' B' ' 122' ' ' THR . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 17.02 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 50.99 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 18.45 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 13.15 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 6.92 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 22.19 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 43.73 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 63.88 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.632 HG11 ' HB1' ' E' ' 466' ' ' ALA . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 73.6 110.438 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 99.99 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.843 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' E' ' 462' ' ' TYR . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 50.91 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 67.81 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 99.99 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 81.17 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD13 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.23 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 75.11 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 32.98 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 27.21 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 28.74 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.843 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 35.81 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 19.33 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 29.68 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 25.47 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 80.58 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 99.99 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.47 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 40.21 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 30.66 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 59.79 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 30.86 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 20.96 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 21.28 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 80.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t -95.87 102.17 13.94 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 pp -110.59 151.43 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.559 0.344 . . . . 99.99 110.921 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.41 170.09 8.58 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.66 1.184 . . . . 99.99 109.613 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.51 10.93 85.94 Favored Glycine 0 C--N 1.348 1.203 0 N-CA-C 114.511 0.564 . . . . 99.99 114.511 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -130.18 147.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.847 0.859 . . . . 99.99 110.354 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -154.14 171.43 19.15 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.923 -1.14 . . . . 99.99 107.923 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.47 -148.0 50.32 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 122.831 0.253 . . . . 99.99 113.536 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -63.69 -18.64 64.2 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.013 0.925 . . . . 99.99 112.189 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -67.93 -58.51 4.43 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.201 0.6 . . . . 99.99 109.598 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.03 -32.3 69.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.077 0.235 . . . . 99.99 110.84 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.48 -58.24 9.16 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.241 0.963 . . . . 99.99 110.293 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -78.69 -20.93 49.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.893 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 t -59.83 -43.5 94.54 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.928 0.491 . . . . 99.99 111.067 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.21 -15.47 63.39 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.502 -0.772 . . . . 99.99 111.933 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 99.99 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 99.99 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 79.06 113.331 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.414 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 59.39 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 99.99 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 83.34 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 42.55 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.419 ' HD1' HD12 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 17.98 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 13.2 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 36.0 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 15.85 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.437 HH12 HD13 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 19.0 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 5.43 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 18.83 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 22.63 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 6.65 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 88.83 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 51.92 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 39.96 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 11.33 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 32.89 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 19.39 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 30.18 112.39 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 90.79 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 93.81 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 77.99 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 85.02 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.08 127.56 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.598 HD21 ' HB3' ' A' ' 135' ' ' ALA . 4.4 p-10 -82.55 65.39 7.66 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.85 0.86 . . . . 99.99 111.719 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.424 ' HE2' HD13 ' A' ' 44' ' ' LEU . 47.9 m-85 -58.76 -35.93 73.55 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 114.7 -1.137 . . . . 99.99 109.476 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -51.27 68.63 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.872 1.669 . . . . 99.99 112.626 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.598 ' HB3' HD21 ' A' ' 132' ' ' ASN . . . -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.212 0.605 . . . . 99.99 111.007 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' E' ' 461' ' ' PHE . 2.3 tm? -69.04 -43.06 75.45 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.218 -0.66 . . . . 99.99 109.218 173.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.6 -39.46 93.83 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.682 0.614 . . . . 99.99 110.744 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -58.34 8.69 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.014 0.821 . . . . 99.99 110.39 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.01 -46.58 78.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 123.92 0.763 . . . . 99.99 111.589 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.04 -30.12 66.22 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.649 1.58 . . . . 99.99 111.312 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.61 -13.19 39.8 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 124.36 1.064 . . . . 99.99 111.911 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -146.12 8.21 1.07 Allowed 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 124.227 1.011 . . . . 99.99 110.312 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 74.92 -51.7 0.67 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 126.128 1.771 . . . . 99.99 112.325 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -74.47 -75.67 0.16 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.484 0.714 . . . . 99.99 111.994 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -148.05 1.8 0.66 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.155 0.582 . . . . 99.99 111.999 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.29 -5.53 76.64 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 119.82 -0.433 . . . . 99.99 112.692 -172.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 67.48 -67.81 0.17 Allowed 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.954 1.702 . . . . 99.99 111.308 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.18 42.35 43.53 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 111.682 -0.567 . . . . 99.99 111.682 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.6 m 62.14 79.94 0.24 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.817 1.247 . . . . 99.99 109.772 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 153' ' ' GLN . 45.9 mm-40 49.44 40.68 19.44 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.181 1.392 . . . . 99.99 113.332 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 55.06 75.11 0.33 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.757 0.823 . . . . 99.99 110.182 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 83.07 -61.58 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.666 1.586 . . . . 99.99 111.327 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 150' ' ' GLU . 38.5 tt0 49.57 58.79 5.03 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.9 1.28 . . . . 99.99 110.908 -175.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -159.98 78.39 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.809 -1.182 . . . . 99.99 107.809 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 125.158 1.383 . . . . 99.99 111.189 -177.208 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 108.541 -0.911 . . . . 99.99 108.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -89.09 126.33 35.4 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 107.961 -1.125 . . . . 99.99 107.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.12 153.09 23.36 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.006 0.523 . . . . 99.99 110.326 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -73.69 146.93 44.11 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.227 0.611 . . . . 99.99 110.19 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -163.75 -51.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.367 1.067 . . . . 99.99 108.584 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -179.72 -90.81 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.835 1.654 . . . . 99.99 106.725 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m 57.92 13.43 2.13 Favored 'General case' 0 CA--C 1.574 1.901 0 C-N-CA 124.523 1.129 . . . . 99.99 112.813 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -74.56 0.46 Allowed 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.358 -0.979 . . . . 99.99 108.358 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.693 ' HE3' HG22 ' B' ' 86' ' ' ILE . 5.2 ptm 61.58 168.88 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.417 1.887 . . . . 99.99 113.756 -176.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -147.14 144.32 28.91 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 113.856 -1.52 . . . . 99.99 107.562 167.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.64 153.71 34.97 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.62 0.575 . . . . 99.99 110.116 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 61.13 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 99.99 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.578 ' HB2' ' HB2' ' E' ' 124' ' ' SER . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 99.99 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 22.84 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 25.35 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 18.25 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 41.37 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.578 HG22 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 15.07 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 29.37 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 11.41 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 27.88 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 51.27 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.536 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.536 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 99.99 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.535 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' HG2' ' NE2' ' E' ' 351' ' ' GLN . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 99.89 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.457 HD21 HG21 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 99.99 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.477 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.65 HD22 HD22 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 99.99 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.633 HG22 ' HG2' ' E' ' 12' ' ' PRO . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 89.58 110.439 -170.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.778 ' HA ' ' HG2' ' E' ' 336' ' ' GLU . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 50.34 109.887 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 99.99 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 44.59 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 98.19 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 83' ' ' ILE . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.585 ' HA ' ' HB3' ' E' ' 328' ' ' ALA . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 93.17 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 98.7 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 99.99 107.776 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.466 HG23 HD13 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 85.08 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.403 HG13 HE21 ' B' ' 79' ' ' GLN . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 32.75 108.829 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.65 HD22 HD22 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 89.85 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 99.99 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 30.69 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 50.25 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.54 HG22 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 27.1 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 27.69 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 28.91 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 82.69 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 84.99 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 91.81 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 39.53 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 37.29 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 21.12 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 29.86 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 13.61 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 13.23 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 36.68 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 12.8 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 51.05 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.48 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 99.99 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 99.23 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.693 HG22 ' HE3' ' B' ' 9' ' ' MET . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 99.99 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' B' ' 9' ' ' MET . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.666 ' HB2' ' HB ' ' E' ' 23' ' ' THR . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.697 ' HE2' ' HA ' ' E' ' 16' ' ' THR . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.57 HD22 HD12 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 99.37 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 67.76 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 81.59 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.406 ' HH ' ' HG ' ' E' ' 69' ' ' LEU . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 55.65 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 48.03 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.508 ' HB2' HG21 ' E' ' 67' ' ' ILE . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 99.99 112.468 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.69 HG22 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 59.06 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 27.15 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 18.14 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 25.24 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 18.19 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 76.84 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 28.75 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.54 HG21 HG22 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 30.1 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' THR . . . . . 0.617 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 17.12 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.81 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.437 ' HE1' ' SG ' ' B' ' 76' ' ' CYS . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 50.71 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 23.64 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 49.99 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 17' ' ' TYR . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 33.79 112.267 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 28.26 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 39.05 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 99.99 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 99.99 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.587 ' HA ' HD12 ' E' ' 6' ' ' ILE . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 99.99 110.557 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 64.44 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 75.43 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.99 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -70.59 114.77 9.02 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -64.43 -5.72 5.84 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.379 1.072 . . . . 99.99 113.122 -171.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.47 -36.87 1.44 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.967 1.307 . . . . 99.99 111.742 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' E' ' 63' ' ' PRO . . . -48.85 -49.18 40.64 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.112 1.365 . . . . 99.99 113.542 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.7 tt -72.48 -42.29 65.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -66.54 -19.44 65.78 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.139 0.576 . . . . 99.99 112.036 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.498 ' HE3' ' HA ' ' B' ' 138' ' ' MET . 25.2 mmt -59.82 -34.53 73.19 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.14 0.576 . . . . 99.99 111.442 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.72 -22.2 61.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.285 0.634 . . . . 99.99 110.386 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -89.42 -31.74 17.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.554 1.141 . . . . 99.99 111.083 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.86 15.24 26.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.798 0.839 . . . . 99.99 112.194 -171.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' B' ' 138' ' ' MET . 12.5 mm100 -64.48 -68.17 0.38 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.46 0.304 . . . . 99.99 110.28 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 63.76 -68.45 0.09 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.561 1.544 . . . . 99.99 111.573 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . 0.525 ' HB3' HD13 ' E' ' 47' ' ' LEU . 88.4 mm-40 71.6 174.18 0.3 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.641 1.577 . . . . 99.99 112.954 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.83 154.78 0.14 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.568 1.547 . . . . 99.99 110.504 -166.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.49 63.21 4.38 Favored Glycine 0 N--CA 1.473 1.135 0 O-C-N 122.357 -0.214 . . . . 99.99 112.75 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -99.45 117.62 34.25 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.795 0.838 . . . . 99.99 110.683 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.88 29.56 12.2 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.325 -0.71 . . . . 99.99 111.325 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 68.5 p 54.96 17.81 1.99 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.347 1.859 . . . . 99.99 113.665 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 30.48 -82.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 128.351 2.66 . . . . 99.99 115.056 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -70.15 -76.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.69 0.796 . . . . 99.99 109.57 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 9.8 p80 63.93 -40.02 0.22 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 127.623 2.369 . . . . 99.99 117.377 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.28 127.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.111 1.364 . . . . 99.99 111.95 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 71.12 -88.99 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.88 0.872 . . . . 99.99 111.382 167.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 C-N-CA 124.475 1.11 . . . . 99.99 112.336 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' C' ' 144' ' ' GLN . 12.9 tpt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.476 -0.565 . . . . 99.99 109.476 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.468 ' H ' HG21 ' C' ' 149' ' ' THR . 62.1 m 52.31 24.11 2.73 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.508 1.523 . . . . 99.99 113.551 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 64.79 -87.39 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.609 1.163 . . . . 99.99 109.544 -167.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 38.02 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 127.172 2.189 . . . . 99.99 115.273 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.55 -25.05 67.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.435 1.494 . . . . 99.99 112.053 -172.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -104.41 37.61 2.07 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.065 1.346 . . . . 99.99 109.481 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 57.2 m -148.06 -37.65 0.19 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.482 0.713 . . . . 99.99 110.683 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -109.74 -163.15 0.84 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.804 0.842 . . . . 99.99 112.305 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 8.7 mmt 68.67 149.07 0.07 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 127.274 2.23 . . . . 99.99 113.733 171.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' C' ' 87' ' ' ALA . 56.7 m -129.37 118.4 22.15 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.058 -1.428 . . . . 99.99 110.131 -176.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -118.96 151.39 38.26 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.6 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 82.71 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 99.99 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.44 HH11 HG22 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 17.72 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 9.52 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 51.3 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 13.13 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 15.89 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.443 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 10.19 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' C' ' 28' ' ' ALA . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 26.52 106.91 166.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 43.6 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' C' ' 25' ' ' ALA . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 57.64 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 78.76 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.584 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 99.99 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 72.29 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.439 ' HG ' HD23 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 99.99 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 99.99 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 90.89 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 55.92 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 78.18 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 57.25 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 99.99 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 97.58 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' E' ' 276' ' ' PRO . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.65 ' HB2' HD12 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 43.88 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 30.1 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 99.67 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 31.81 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.79 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 29.1 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 36.6 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 38.08 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 65.72 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 99.99 109.464 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 83.21 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.584 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 40.89 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG23 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 38.89 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 66.65 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 32.91 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 14.84 108.804 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.542 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 26.52 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . 0.402 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 12.17 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.472 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 39.17 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.522 HG21 HD13 ' C' ' 89' ' ' ILE . 78.8 mt -114.44 120.27 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.749 ' HB2' ' HB ' ' C' ' 10' ' ' THR . . . -142.94 119.39 10.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.318 0.647 . . . . 99.99 110.472 -171.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.02 -29.63 4.17 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.524 0.515 . . . . 99.99 113.915 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.522 HD13 HG21 ' C' ' 86' ' ' ILE . 68.4 mt -54.88 108.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.176 1.39 . . . . 99.99 110.526 -176.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -145.99 159.06 43.77 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.376 0.67 . . . . 99.99 111.138 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.66 -119.52 18.63 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 124.069 0.856 . . . . 99.99 114.479 169.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.1 p -70.26 -31.07 68.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.928 0.891 . . . . 99.99 110.827 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -71.39 -39.25 71.3 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.698 0.799 . . . . 99.99 109.071 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 47.9 ttm -67.91 -40.27 83.43 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.292 0.637 . . . . 99.99 110.747 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' E' ' 280' ' ' LEU . . . -67.3 -35.31 79.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.051 0.54 . . . . 99.99 111.577 -177.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -84.83 -56.34 3.63 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.582 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.88 -54.41 5.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.479 0.712 . . . . 99.99 112.125 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.559 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 81.7 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 68.22 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 85.73 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 52.77 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.437 HD13 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 18.22 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.472 HD23 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 62.78 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 20.21 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 17.97 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 10.09 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 18.56 111.422 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 31.03 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 26.09 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 21.24 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 14.3 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 10.17 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.621 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 12.08 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 54.79 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 23.93 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 27.3 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.443 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 36.76 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 44.0 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.518 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 92.07 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 43.42 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.439 HD23 ' HG ' ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 64.09 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 45.54 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 40.22 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 98.11 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . 0.481 ' HD1' ' HG3' ' E' ' 286' ' ' MET . 78.9 m-85 -62.58 -25.42 68.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -51.23 -44.78 61.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.703 1.601 . . . . 99.99 111.314 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.56 -25.71 66.38 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.672 1.233 . . . . 99.99 112.932 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.66 -46.69 74.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.544 0.737 . . . . 99.99 109.671 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -80.3 -33.87 37.29 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.608 0.763 . . . . 99.99 110.904 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.66 -32.4 67.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.405 1.082 . . . . 99.99 110.59 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.64 81.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.788 0.835 . . . . 99.99 111.179 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -71.61 -103.75 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.877 -0.602 . . . . 99.99 110.922 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 57.78 4.61 0.28 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 114.271 1.212 . . . . 99.99 114.271 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.96 122.49 26.78 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 77.6 -34.5 0.2 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.316 1.446 . . . . 99.99 111.795 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . 0.436 ' HB3' ' SD ' ' C' ' 1' ' ' MET . 46.7 mt-30 -58.68 -39.62 81.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.722 0.809 . . . . 99.99 111.487 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.42 -71.51 0.74 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.108 0.563 . . . . 99.99 109.83 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.5 -105.52 0.92 Allowed Glycine 0 C--N 1.355 1.584 0 CA-C-O 120.158 -0.246 . . . . 99.99 113.584 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -90.98 111.86 23.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.443 0.697 . . . . 99.99 109.124 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 60.19 -121.73 27.61 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.053 0.845 . . . . 99.99 112.532 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' THR . . . . . 0.468 HG21 ' H ' ' C' ' 2' ' ' SER . 8.7 m 64.86 14.57 9.31 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.442 1.097 . . . . 99.99 111.227 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -178.67 121.53 0.09 Allowed 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.851 1.26 . . . . 99.99 107.92 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 6' ' ' ASN . 43.4 tt0 -169.25 -47.36 0.02 OUTLIER 'General case' 0 C--O 1.247 0.952 0 O-C-N 123.966 0.791 . . . . 99.99 109.933 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 t60 76.57 -59.15 0.5 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.109 1.764 . . . . 99.99 111.861 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 66.3 113.42 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.276 1.43 . . . . 99.99 111.124 -173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -162.63 -47.26 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.223 1.009 . . . . 99.99 109.327 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 124.029 0.931 . . . . 99.99 110.52 -178.072 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.51 ' HE1' HG21 ' E' ' 309' ' ' THR . 53.6 ttp . . . . . 0 C--O 1.242 0.709 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -179.19 168.35 1.53 Allowed 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.98 1.312 . . . . 99.99 109.022 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -88.67 -29.74 19.68 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.559 -1.2 . . . . 99.99 109.569 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -140.39 -51.94 0.49 Allowed 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 112.739 0.644 . . . . 99.99 112.739 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -123.18 103.13 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.56 0.618 . . . . 99.99 110.008 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -62.74 126.5 27.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.942 0.897 . . . . 99.99 111.17 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m 60.38 79.87 0.23 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.585 1.154 . . . . 99.99 110.61 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -159.32 -56.31 0.06 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.077 -0.965 . . . . 99.99 108.851 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.483 ' HE1' HD13 ' D' ' 89' ' ' ILE . 0.4 OUTLIER -31.18 124.29 0.22 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 125.488 1.742 . . . . 99.99 112.769 176.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.67 ' HB ' HE22 ' D' ' 12' ' ' GLN . 32.6 p -108.16 131.24 54.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.859 0.864 . . . . 99.99 110.887 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 79.57 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.67 HE22 ' HB ' ' D' ' 10' ' ' THR . 1.8 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.456 HD11 HG23 ' E' ' 306' ' ' VAL . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 99.99 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 81.0 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' C' ' 28' ' ' ALA . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 28.79 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 14.92 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 58.5 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.621 HG21 ' HE1' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 14.63 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 15.53 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 6.05 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 14.28 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 16.78 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 22.87 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 21.13 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 30.2 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 64.18 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 34.41 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 54.02 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 34.31 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 83.42 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.537 ' HB3' HD22 ' E' ' 112' ' ' ASN . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.538 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 99.99 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.48 ' HB2' ' HG ' ' E' ' 111' ' ' LEU . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 97.22 109.757 -172.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 99.99 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 62.54 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 55.71 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 61.91 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.99 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 93.38 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 99.99 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.44 HG13 ' HG ' ' D' ' 85' ' ' SER . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 99.99 105.352 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 71.26 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 36.06 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 79.92 108.618 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.538 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 22.5 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 23.18 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 24.43 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 32.61 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 25.12 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.474 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 49.15 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 32.34 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 33.15 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 19.1 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.474 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 12.32 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 8.66 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 19.44 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.635 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . 0.413 HG21 HG22 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 10.02 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 29.4 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.3 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 65.32 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.44 ' HG ' HG13 ' D' ' 55' ' ' VAL . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 99.99 109.649 176.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.499 HD13 HD21 ' E' ' 100' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 99.99 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.481 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.483 HD13 ' HE1' ' D' ' 9' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.541 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.468 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.6 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 99.99 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.541 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 99.99 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.62 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 70.12 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 64.46 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 46.86 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 45.41 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 38.42 113.448 169.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 87.71 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 35.35 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 21.86 112.039 -173.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 12.38 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 8.42 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 15.0 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 17.35 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 12.17 111.206 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.56 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.661 HD13 HD12 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 19.17 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 19.58 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 14.23 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.635 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 6.04 111.775 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.441 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 19.19 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 119' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 16.36 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 7.12 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 122' ' ' THR . . . . . 0.44 HG22 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 35.79 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.516 ' HG3' ' HB2' ' E' ' 131' ' ' TRP . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 27.88 112.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 17.97 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 33.77 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 99.99 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.661 HD12 HD13 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 35.86 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 48.78 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 48.18 112.307 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.5 HG22 HD21 ' D' ' 136' ' ' LEU . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 95.86 111.412 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.444 ' HA ' HD13 ' E' ' 71' ' ' ILE . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.421 ' H ' HD11 ' E' ' 71' ' ' ILE . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.75 -49.94 67.09 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.24 -29.89 63.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.914 -1.039 . . . . 99.99 111.039 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.5 HD21 HG22 ' D' ' 131' ' ' VAL . 27.6 tp -60.35 -25.16 65.63 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 122.763 0.425 . . . . 99.99 111.483 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -97.98 -50.85 4.25 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.21 0.604 . . . . 99.99 111.372 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 62.4 mtm -73.91 -55.64 5.93 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.04 0.536 . . . . 99.99 111.925 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . 0.531 ' HA ' ' HG3' ' D' ' 142' ' ' GLN . 29.2 t-20 -60.57 -23.82 64.94 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.945 0.898 . . . . 99.99 111.724 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -48.57 -41.88 31.89 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.102 0.961 . . . . 99.99 112.521 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.2 -49.32 10.94 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.294 0.569 . . . . 99.99 110.138 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' D' ' 139' ' ' ASN . 15.3 pt20 -88.3 51.1 2.1 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.877 1.271 . . . . 99.99 111.055 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' D' ' 139' ' ' ASN . 26.9 tt0 -111.56 89.95 3.2 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.383 -0.823 . . . . 99.99 110.676 -166.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -170.78 136.22 1.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 113.726 -1.579 . . . . 99.99 108.67 172.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -144.28 5.37 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.978 0.911 . . . . 99.99 110.908 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 107.62 131.43 6.59 Favored Glycine 0 C--N 1.349 1.283 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . 0.407 ' HA ' ' ND2' ' E' ' 219' ' ' ASN . 2.6 mp0 59.43 24.93 13.6 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.642 1.177 . . . . 99.99 111.572 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.43 7.6 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 109.501 -1.439 . . . . 99.99 109.501 -170.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 57.7 m -134.42 -49.08 0.78 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.642 0.721 . . . . 99.99 110.336 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' D' ' 151' ' ' GLU . 20.6 tt0 -110.38 -167.07 1.14 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.384 -0.969 . . . . 99.99 108.384 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' D' ' 150' ' ' GLU . 68.4 mt-10 -67.11 -64.29 0.88 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.911 0.484 . . . . 99.99 110.41 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 p80 45.9 21.96 0.11 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.112 1.765 . . . . 99.99 114.473 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -102.06 -68.3 0.83 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.512 0.725 . . . . 99.99 110.981 -170.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.83 -24.83 38.19 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.105 0.562 . . . . 99.99 110.663 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 173.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 110.854 -0.054 . . . . 99.99 110.854 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -142.35 134.63 27.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.358 1.063 . . . . 99.99 108.439 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -138.32 98.15 3.54 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.388 1.075 . . . . 99.99 108.334 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -66.57 -14.08 61.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.314 1.046 . . . . 99.99 113.299 -173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -67.75 -18.91 65.04 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.603 0.761 . . . . 99.99 112.025 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 128' ' ' LEU . 37.9 mm -87.5 133.46 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.162 0.585 . . . . 99.99 109.633 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.5 147.14 39.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.774 0.83 . . . . 99.99 110.353 -172.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.414 ' HA ' HD11 ' B' ' 42' ' ' LEU . 3.8 mm? -133.71 0.45 3.26 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.847 1.259 . . . . 99.99 110.129 173.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.83 -95.95 0.05 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.614 1.165 . . . . 99.99 111.894 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -165.69 3.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.675 0.79 . . . . 99.99 110.424 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.48 176.56 0.06 OUTLIER Pre-proline 0 CA--C 1.568 1.657 0 C-N-CA 123.828 0.851 . . . . 99.99 110.054 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . 0.633 ' HG2' HG22 ' B' ' 46' ' ' THR . 17.1 Cg_exo -74.57 11.66 1.28 Allowed 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 121.84 1.693 . . . . 99.99 113.75 167.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 65.18 -73.38 0.06 Allowed 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.639 1.575 . . . . 99.99 110.703 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.1 91.9 0.52 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.246 -1.02 . . . . 99.99 108.246 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -66.06 -34.41 78.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.791 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.697 ' HA ' ' HE2' ' B' ' 94' ' ' MET . 5.0 m 35.67 64.92 2.03 Favored Pre-proline 0 CA--C 1.566 1.563 0 C-N-CA 126.05 1.74 . . . . 99.99 114.376 172.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -86.69 -51.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.169 1.912 . . . . 99.99 113.033 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -94.42 171.8 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.83 0.852 . . . . 99.99 109.298 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.19 80.36 0.23 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.676 0.751 . . . . 99.99 111.499 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 59.06 11.74 2.12 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.276 1.83 . . . . 99.99 112.915 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 89' ' ' ILE . . . 51.11 32.29 7.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.676 1.191 . . . . 99.99 112.848 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 79.42 -20.96 0.36 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.246 1.418 . . . . 99.99 113.159 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' THR . . . . . 0.666 ' HB ' ' HB2' ' B' ' 90' ' ' GLU . 5.7 t -57.02 136.18 80.25 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 112.554 0.576 . . . . 99.99 112.554 -167.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.23 168.64 22.78 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.041 2.494 . . . . 99.99 112.265 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.17 48.35 0.86 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.664 0.745 . . . . 99.99 112.004 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 86.6 mtp -96.4 -42.81 0.26 Allowed Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.663 1.185 . . . . 99.99 113.353 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.03 42.24 1.07 Allowed 'Trans proline' 0 C--N 1.403 3.413 0 C-N-CA 122.117 1.878 . . . . 99.99 113.785 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.92 14.59 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.611 1.164 . . . . 99.99 111.98 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.84 161.57 17.95 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.791 0.836 . . . . 99.99 110.555 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 87.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.856 0.863 . . . . 99.99 111.411 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 70.39 -68.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.419 1.488 . . . . 99.99 111.173 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.54 29.25 15.33 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.024 1.33 . . . . 99.99 111.376 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.6 75.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 99.99 110.732 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 130.17 35.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 167.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -60.43 -42.95 97.14 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.524 0.729 . . . . 99.99 111.197 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 55.05 3.46 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -84.6 146.25 27.61 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.508 0.723 . . . . 99.99 110.159 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.4 tp -131.07 10.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.345 0 C-N-CA 123.472 0.709 . . . . 99.99 110.263 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 35.4 p -86.37 -48.22 8.66 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.251 -0.906 . . . . 99.99 109.911 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.17 -43.89 6.06 Favored Pre-proline 0 CA--C 1.567 1.62 0 N-CA-C 115.184 1.55 . . . . 99.99 115.184 -173.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.69 -37.89 65.23 Favored 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.786 2.324 . . . . 99.99 114.453 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.49 0.84 30.83 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.648 -0.529 . . . . 99.99 112.861 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.43 -42.18 82.71 Favored Glycine 0 C--N 1.356 1.64 0 C-N-CA 123.226 0.441 . . . . 99.99 113.53 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.49 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.793 1.237 . . . . 99.99 111.573 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -79.49 81.75 5.71 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.57 0.748 . . . . 99.99 110.75 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -158.76 -143.15 0.1 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' B' ' 144' ' ' GLN . 79.2 mt -78.62 34.31 0.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 119.513 1.051 . . . . 99.99 112.21 177.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 50.5 m -140.77 5.43 1.97 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.133 1.373 . . . . 99.99 109.113 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.89 -126.42 1.33 Allowed Glycine 0 C--N 1.355 1.605 0 O-C-N 122.028 -0.42 . . . . 99.99 112.847 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.52 -52.22 54.26 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.387 1.075 . . . . 99.99 112.417 -173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -67.52 -12.77 61.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.316 1.047 . . . . 99.99 112.714 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' THR . . . . . 0.435 ' HA ' HD21 ' E' ' 47' ' ' LEU . 10.2 m -52.19 -30.4 26.85 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.973 0.909 . . . . 99.99 112.719 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' E' ' 56' ' ' ARG . . . -49.71 -28.78 6.49 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.826 1.25 . . . . 99.99 112.998 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 101.79 4.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.464 0.706 . . . . 99.99 109.857 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt 61.52 52.6 3.63 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.901 1.281 . . . . 99.99 111.98 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' E' ' 53' ' ' ALA . 0.0 OUTLIER -88.22 20.0 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.15 0.98 . . . . 99.99 111.875 175.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -103.89 122.29 44.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.169 0.587 . . . . 99.99 110.79 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.1 m 75.24 -54.3 0.65 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 125.869 1.667 . . . . 99.99 113.528 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 74.11 159.84 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 125.207 1.403 . . . . 99.99 112.244 173.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 66.6 m -70.63 138.69 50.99 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.49 0.716 . . . . 99.99 111.665 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -177.24 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.668 1.187 . . . . 99.99 109.59 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.563 ' HD3' ' HB1' ' E' ' 90' ' ' ALA . 29.1 mtmm -67.65 153.97 94.12 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.736 1.214 . . . . 99.99 112.066 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' B' ' 135' ' ' ALA . 19.4 Cg_exo -66.07 154.45 74.02 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.716 2.277 . . . . 99.99 112.269 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.29 172.0 11.99 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.485 0.66 . . . . 99.99 111.264 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -70.29 125.38 26.62 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.661 -1.154 . . . . 99.99 109.053 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.4 HD22 HG13 ' E' ' 306' ' ' VAL . 49.1 m-80 -69.03 118.53 12.04 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.877 0.871 . . . . 99.99 110.167 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' B' ' 104' ' ' ASN . 44.2 pt 40.11 83.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 126.082 1.753 . . . . 99.99 114.197 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . 0.403 HG22 ' O ' ' E' ' 310' ' ' PRO . 56.1 mt -64.06 -13.88 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.606 1.163 . . . . 99.99 111.752 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.406 ' HG ' ' HH ' ' B' ' 101' ' ' TYR . 48.5 mt -48.77 -44.58 38.89 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.765 1.226 . . . . 99.99 111.217 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.21 117.28 29.5 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.662 -1.236 . . . . 99.99 107.662 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' D' ' 132' ' ' ASN . 1.5 mp 62.88 92.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.57 1.148 . . . . 99.99 109.067 -174.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.44 161.34 34.81 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.509 -0.769 . . . . 99.99 111.623 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -150.34 150.3 31.27 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.05 0.54 . . . . 99.99 110.931 -172.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.29 171.54 38.19 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.926 -0.869 . . . . 99.99 110.926 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 15.7 tpt -154.54 -42.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.932 0.493 . . . . 99.99 111.532 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 79.51 0.07 OUTLIER Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.418 -0.42 . . . . 99.99 112.095 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -118.63 20.29 12.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.662 0.785 . . . . 99.99 110.252 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -69.13 -17.79 63.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.078 0.951 . . . . 99.99 112.818 -170.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.08 -33.05 72.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.476 1.11 . . . . 99.99 109.891 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt 56.77 78.77 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.361 1.464 . . . . 99.99 111.382 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -94.77 155.51 16.79 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.498 -1.228 . . . . 99.99 108.907 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.77 88.38 0.37 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.524 0.73 . . . . 99.99 110.531 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.03 61.72 1.11 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.773 0.829 . . . . 99.99 111.355 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.424 ' NH1' ' SD ' ' B' ' 138' ' ' MET . 7.6 mmt180 -131.3 162.22 30.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.686 0.794 . . . . 99.99 110.278 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.52 17.88 10.01 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.152 1.381 . . . . 99.99 109.487 -155.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -111.78 -34.72 5.94 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.561 1.544 . . . . 99.99 107.619 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' E' ' 309' ' ' THR . . . -76.99 87.22 3.51 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 114.319 -1.31 . . . . 99.99 109.505 175.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -140.84 142.99 34.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.295 0.638 . . . . 99.99 110.279 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.02 43.66 0.03 OUTLIER Glycine 0 C--N 1.344 0.989 0 O-C-N 123.79 0.681 . . . . 99.99 111.965 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . 0.563 ' HB1' ' HD3' ' E' ' 62' ' ' LYS . . . -91.99 158.25 16.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.427 0.691 . . . . 99.99 111.098 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . 0.404 ' HA3' ' HE2' ' E' ' 94' ' ' PHE . . . 167.1 -117.07 0.71 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.21 -132.31 2.58 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.292 -0.723 . . . . 99.99 111.292 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.52 106.91 19.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.419 0.688 . . . . 99.99 110.157 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . 0.404 ' HE2' ' HA3' ' E' ' 91' ' ' GLY . 16.9 p90 -157.84 178.4 10.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.978 0.911 . . . . 99.99 110.552 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -89.17 159.07 17.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.326 0.651 . . . . 99.99 110.671 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . 0.481 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . -161.13 -52.98 0.02 OUTLIER Glycine 0 C--N 1.344 0.999 0 CA-C-N 116.684 -0.235 . . . . 99.99 113.414 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . . . . . . . . . 8.5 mt -104.54 -78.57 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.143 -0.688 . . . . 99.99 109.143 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.5 t70 173.8 -56.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.881 1.673 . . . . 99.99 108.546 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.21 -175.48 5.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.179 0.992 . . . . 99.99 109.729 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.499 HD21 HD13 ' D' ' 86' ' ' ILE . 2.2 mm? -127.12 84.58 63.1 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 123.587 0.755 . . . . 99.99 110.48 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.7 73.48 5.48 Favored 'Trans proline' 0 C--N 1.37 1.695 0 C-N-CA 122.732 2.288 . . . . 99.99 110.928 165.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -80.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.551 -0.537 . . . . 99.99 109.551 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -145.28 126.24 14.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.028 0.931 . . . . 99.99 109.527 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.24 -36.03 25.23 Favored Glycine 0 C--N 1.343 0.934 0 N-CA-C 111.413 -0.675 . . . . 99.99 111.413 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.04 137.17 35.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.841 0.856 . . . . 99.99 109.666 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -83.99 74.74 10.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.574 0.75 . . . . 99.99 110.284 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 107' ' ' THR . . . . . 0.509 HG22 ' HB2' ' E' ' 111' ' ' LEU . 27.1 m 59.1 101.52 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.086 1.354 . . . . 99.99 112.496 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -76.81 -22.09 54.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.041 0.536 . . . . 99.99 111.495 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -82.24 165.24 20.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.605 0.762 . . . . 99.99 111.333 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.63 98.33 6.88 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.52 -0.764 . . . . 99.99 109.941 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.509 ' HB2' HG22 ' E' ' 107' ' ' THR . 18.9 tp -93.42 53.1 1.84 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.395 1.078 . . . . 99.99 109.035 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . 0.537 HD22 ' HB3' ' D' ' 41' ' ' LYS . 67.3 t30 66.64 150.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 126.377 1.871 . . . . 99.99 110.859 -166.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -154.33 33.51 0.42 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.472 0.709 . . . . 99.99 110.383 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tptt 69.93 138.88 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.566 1.146 . . . . 99.99 111.908 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 115' ' ' THR . . . . . 0.492 ' H ' ' HG3' ' D' ' 41' ' ' LYS . 25.5 m 74.39 139.93 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.006 1.722 . . . . 99.99 113.061 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.55 -162.05 25.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.576 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.34 129.1 6.93 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 107.51 -1.293 . . . . 99.99 107.51 173.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.37 102.23 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.797 2.331 . . . . 99.99 113.152 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.76 -20.12 61.24 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.702 0.801 . . . . 99.99 109.715 166.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -145.18 148.61 33.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.234 1.414 . . . . 99.99 107.6 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 60.1 t 65.98 74.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.441 1.096 . . . . 99.99 109.757 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 2.4 m -134.29 151.64 51.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.834 0.854 . . . . 99.99 109.781 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.46 163.54 32.55 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 107.691 -1.226 . . . . 99.99 107.691 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 124' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' B' ' 15' ' ' ARG . 58.5 m -65.38 -13.19 58.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.265 0.626 . . . . 99.99 111.799 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.64 66.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.81 1.244 . . . . 99.99 112.132 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -25.32 64.81 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.989 0.916 . . . . 99.99 111.706 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 13.3 p -115.92 103.89 11.06 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.328 1.051 . . . . 99.99 109.478 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.82 41.3 0.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.084 0.554 . . . . 99.95 111.443 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 25.5 m -79.79 82.31 5.91 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.925 0.869 . . . . 99.99 109.84 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.46 84.69 1.37 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.487 -1.233 . . . . 99.99 108.451 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.516 ' HB2' ' HG3' ' D' ' 124' ' ' PRO . 1.8 t-105 -160.27 115.75 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.824 0.85 . . . . 99.99 109.686 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 29.1 t -170.77 141.25 1.77 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.433 1.493 . . . . 99.99 107.566 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 8.3 p -147.84 -64.77 0.26 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.557 0.743 . . . . 99.99 109.122 170.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.84 59.38 6.04 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.818 -0.628 . . . . 99.66 112.446 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.65 133.9 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 123.64 0.776 . . . . 99.99 110.705 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 58.32 0.19 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.982 0.913 . . . . 99.99 111.008 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.626 HG22 ' HA3' ' E' ' 162' ' ' GLY . 27.3 p -135.16 126.21 27.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.887 0.875 . . . . 99.99 109.42 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -122.03 159.39 27.13 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.917 0.887 . . . . 99.99 109.733 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -98.49 168.54 10.12 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.657 0.741 . . . . 99.99 111.884 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' E' ' 158' ' ' ALA . . . -76.66 75.91 1.6 Allowed Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.375 -1.284 . . . . 99.99 112.319 171.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 59.32 12.91 2.84 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.212 1.405 . . . . 99.99 114.004 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 27.2 tp 66.98 77.39 0.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.905 1.282 . . . . 99.99 111.006 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 120.88 -60.65 0.53 Allowed Glycine 0 C--N 1.344 0.989 0 CA-C-N 116.397 -0.365 . . . . 99.99 112.388 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.54 124.14 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.278 1.031 . . . . 99.99 108.32 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.3 124.56 32.8 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.049 -0.352 . . . . 99.99 110.049 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.2 mp -134.61 89.8 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 163.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -136.5 102.04 4.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.555 -1.276 . . . . 99.99 107.555 160.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.84 -39.39 51.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.083 -0.962 . . . . 99.99 110.24 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -111.28 101.19 9.69 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -129.54 150.73 50.75 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.86 0.864 . . . . 99.99 109.464 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -99.63 -39.39 0.23 Allowed Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 117.453 -1.26 . . . . 99.99 114.235 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -69.92 -39.88 5.71 Favored 'Trans proline' 0 C--N 1.398 3.145 0 CA-C-N 122.727 2.01 . . . . 99.99 112.559 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 86.7 m -72.95 121.29 19.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 46.0 mm -77.39 -41.99 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.996 -1.002 . . . . 99.99 110.602 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.66 ' HG ' ' HG3' ' E' ' 156' ' ' GLU . 29.4 tp -87.15 -70.18 0.63 Allowed 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 119.033 -0.508 . . . . 99.99 111.913 -171.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . 0.66 ' HG3' ' HG ' ' E' ' 155' ' ' LEU . 0.0 OUTLIER -153.6 -91.31 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 118.752 0.705 . . . . 99.99 112.282 -176.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' E' ' 156' ' ' GLU . 5.4 mpp? -93.67 175.64 6.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.697 1.199 . . . . 99.99 109.853 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . 0.472 ' HB2' ' HA2' ' E' ' 140' ' ' GLY . . . -80.03 51.32 1.34 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.114 0.959 . . . . 99.99 111.146 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -77.75 -26.97 50.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.597 1.559 . . . . 99.99 110.231 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.82 82.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.273 -0.876 . . . . 99.99 110.656 174.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 68.74 -71.89 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.603 1.561 . . . . 99.99 111.948 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . 0.626 ' HA3' HG22 ' E' ' 137' ' ' THR . . . -153.99 14.5 0.58 Allowed Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.959 -0.564 . . . . 99.99 112.081 175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.37 111.52 21.84 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.037 -1.097 . . . . 99.99 108.037 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.44 -43.62 0.5 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.82 1.648 . . . . 99.99 111.882 -173.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 44.7 p -77.58 74.0 4.14 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.157 0.983 . . . . 99.99 110.446 173.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -126.52 165.13 19.84 Favored Glycine 0 C--N 1.339 0.74 0 CA-C-N 114.696 -1.138 . . . . 99.99 110.308 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 58.54 20.43 7.57 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.9 0.88 . . . . 99.99 111.793 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.48 10.42 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.271 1.028 . . . . 99.99 111.514 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 39.1 p -52.96 -53.72 45.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.4 1.48 . . . . 99.99 111.403 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 23.1 p -131.57 22.07 4.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.287 1.035 . . . . 99.99 110.329 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.27 -31.53 72.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.053 0.541 . . . . 99.99 111.874 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . 0.261 13.1 pt-20 53.57 -66.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.314 2.246 . . . . 99.99 114.855 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.69 78.59 9.28 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.413 -0.804 . . . . 99.99 109.93 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.94 87.63 3.49 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.943 -1.502 . . . . 99.99 106.943 166.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.5 -75.9 0.06 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.561 0.744 . . . . 99.99 111.028 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -165.79 67.33 0.12 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.064 -0.717 . . . . 99.99 109.064 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 24.6 m 56.88 78.27 0.38 Allowed Pre-proline 0 CA--C 1.562 1.441 0 CA-C-N 114.788 -1.096 . . . . 99.99 110.205 -174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -69.38 160.89 48.06 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.079 2.519 . . . . 99.99 113.832 -169.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.26 -168.87 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.138 0.975 . . . . 99.99 111.103 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 74.57 175.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.063 1.345 . . . . 99.99 111.458 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' E' ' 185' ' ' VAL . 31.2 tp -90.32 134.65 34.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.74 166.74 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.085 0.954 . . . . 99.99 109.808 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.17 76.18 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.165 1.386 . . . . 99.99 111.513 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 71.43 -54.92 0.67 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 126.66 1.984 . . . . 99.99 113.067 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . 0.735 HG11 ' HB3' ' E' ' 189' ' ' LYS . 96.5 t 80.39 -54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.524 1.93 . . . . 99.99 111.581 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.8 m 81.78 -29.15 0.11 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.835 1.654 . . . . 99.99 112.307 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 40.6 t -135.45 115.72 13.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.721 0.409 . . . . 99.99 111.985 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 66.86 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.35 1.46 . . . . 99.99 112.914 165.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.735 ' HB3' HG11 ' E' ' 185' ' ' VAL . 16.5 pttp 63.12 -55.09 0.18 Allowed 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 127.76 2.424 . . . . 99.99 114.058 -174.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.38 71.18 10.7 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.024 0.93 . . . . 99.99 110.582 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.1 t80 64.78 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.856 1.262 . . . . 99.99 110.95 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 164.04 76.74 0.03 OUTLIER Glycine 0 C--N 1.341 0.835 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.25 -45.92 0.4 Allowed 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.784 2.322 . . . . 99.99 111.821 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 11.7 t 62.57 178.9 0.14 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.832 1.253 . . . . 99.99 110.978 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 72.06 -64.86 0.37 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.47 1.508 . . . . 99.99 111.678 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 75.1 p 55.59 72.65 0.47 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.777 1.631 . . . . 99.99 111.464 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.6 m -84.05 175.63 9.38 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 114.841 -1.072 . . . . 99.99 111.606 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.44 -4.09 52.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.818 -0.628 . . . . 99.99 110.663 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 75.44 -73.3 0.09 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 125.701 1.601 . . . . 99.99 110.897 172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 7.9 p -156.97 80.99 3.4 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.041 -1.096 . . . . 99.99 108.041 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.81 86.1 0.47 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.864 2.376 . . . . 99.99 112.494 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -73.17 75.96 0.92 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.714 -0.675 . . . . 99.99 112.223 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -125.47 175.14 7.72 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.106 . . . . 99.99 108.979 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.48 86.44 1.55 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.237 0.615 . . . . 99.99 109.834 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -70.61 168.67 15.91 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.931 0.892 . . . . 99.99 112.472 -174.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -127.27 162.09 27.04 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.553 1.141 . . . . 99.99 108.428 168.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -65.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.94 -137.84 50.09 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.012 0.82 . . . . 99.99 112.671 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 68.6 -88.32 0.21 Allowed Glycine 0 C--N 1.349 1.285 0 C-N-CA 123.896 0.76 . . . . 99.99 112.303 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -79.41 77.52 5.96 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.213 1.006 . . . . 99.99 110.575 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -157.49 125.93 1.65 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.959 -1.256 . . . . 99.99 109.959 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.0 m 60.62 31.86 20.26 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.173 0.989 . . . . 99.99 110.427 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.32 -25.62 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.2 0.6 . . . . 99.99 112.044 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 24.9 p -71.59 -35.46 70.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.239 0.616 . . . . 99.99 110.211 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.36 -47.05 58.76 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.405 0.682 . . . . 99.99 111.108 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.99 -20.11 65.0 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.436 -0.209 . . . . 99.99 110.436 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 68.4 tp 71.0 -78.91 0.04 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.428 1.491 . . . . 99.99 109.862 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 63.8 tp 179.63 90.67 0.02 OUTLIER 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.446 -2.057 . . . . 99.99 105.446 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' D' ' 147' ' ' GLU . 30.1 m120 -61.67 -59.26 5.45 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.563 0.54 . . . . 99.99 110.722 -176.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.86 -77.23 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.857 1.348 . . . . 99.99 112.831 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 86.9 77.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.624 1.97 . . . . 99.99 109.03 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 56.87 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.774 1.63 . . . . 99.99 112.028 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.69 -53.86 2.65 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.691 0.796 . . . . 99.99 110.734 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' E' ' 231' ' ' LYS . 25.6 m -73.06 -164.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.318 0.647 . . . . 99.99 111.962 -174.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 58.5 m -118.05 114.05 22.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.316 1.046 . . . . 99.99 109.142 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 9.0 mp 71.6 -63.28 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.969 1.708 . . . . 99.99 112.444 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -178.21 173.84 46.24 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.33 -0.308 . . . . 99.99 112.33 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 66.63 -153.21 52.49 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 122.777 0.227 . . . . 99.99 112.662 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -93.73 33.2 5.32 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-O 119.902 -0.388 . . . . 99.99 112.317 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -75.63 78.71 2.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.607 0.763 . . . . 99.99 110.364 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' E' ' 224' ' ' VAL . 30.8 tttm -171.5 -149.36 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 106.729 -1.582 . . . . 99.99 106.729 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 14.6 t 46.12 50.23 11.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.558 1.543 . . . . 99.99 112.372 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.4 t80 67.6 -73.05 0.08 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.548 1.539 . . . . 99.99 110.655 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.72 -67.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.999 1.72 . . . . 99.99 113.804 172.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -42.64 -37.71 1.79 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.478 1.911 . . . . 99.99 114.614 -173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.1 m 70.02 -76.09 0.07 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.622 1.201 . . . . 99.99 109.724 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -90.2 156.62 18.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.417 0.687 . . . . 99.99 109.975 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 28.8 p -79.57 -52.81 7.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.42 0.688 . . . . 99.99 110.743 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -163.68 135.69 4.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.429 0.692 . . . . 99.99 109.838 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -103.73 14.28 53.32 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 112.337 -0.305 . . . . 99.99 112.337 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . 0.644 ' HB3' HE22 ' E' ' 243' ' ' GLN . 14.5 mp0 -99.98 -85.54 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.971 0.908 . . . . 99.99 109.73 -175.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 15.9 m0 47.52 86.37 0.02 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.201 1.4 . . . . 99.99 113.069 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.644 HE22 ' HB3' ' E' ' 241' ' ' GLU . 24.8 mp0 -83.74 48.1 1.39 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.052 0.941 . . . . 99.99 110.591 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 75.06 -154.65 46.77 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.226 -0.443 . . . . 99.99 112.432 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -108.34 -60.62 1.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.79 0.836 . . . . 99.99 110.293 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.498 HG21 HD13 ' E' ' 247' ' ' LEU . 7.8 t -169.86 -28.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.882 0.473 . . . . 99.99 111.895 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.498 HD13 HG21 ' E' ' 246' ' ' THR . 8.1 mp -64.69 -18.23 64.8 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.633 0.773 . . . . 99.99 112.065 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -68.2 -34.17 75.77 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.254 1.021 . . . . 99.99 111.683 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.38 -21.65 65.6 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.428 0.691 . . . . 99.99 111.004 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.31 -16.01 41.52 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.331 1.052 . . . . 99.99 112.078 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -54.04 -13.87 0.91 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.136 1.374 . . . . 99.99 114.398 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.51 -25.34 25.0 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.804 0.841 . . . . 99.99 112.367 170.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.05 71.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.219 1.007 . . . . 99.99 111.538 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 71.3 -77.39 0.06 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.751 1.62 . . . . 99.99 110.609 173.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 75.9 -175.93 51.62 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.651 -0.527 . . . . 99.99 113.047 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 71.2 t80 68.35 -12.19 0.35 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.568 1.147 . . . . 99.99 113.774 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -74.34 158.11 34.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.911 1.284 . . . . 99.99 109.88 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 45.8 tp 74.24 166.03 0.29 Allowed 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.635 1.174 . . . . 99.99 110.525 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 58.2 t 80.41 -55.97 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 126.679 1.992 . . . . 99.99 110.194 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 97.61 7.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.273 0.629 . . . . 99.99 109.349 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.06 86.37 3.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 122.117 0.961 . . . . 99.99 110.335 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -83.21 -0.57 50.0 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.197 -0.91 . . . . 99.99 110.922 171.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -73.4 4.52 4.63 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.277 1.431 . . . . 99.99 114.19 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 24.8 m -42.5 -76.17 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.153 1.381 . . . . 99.99 113.317 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 10.1 mp 57.8 -71.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.701 1.6 . . . . 99.99 114.875 169.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -43.19 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.385 1.874 . . . . 99.99 112.921 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 24.9 m 65.71 -72.15 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.598 1.559 . . . . 99.99 111.831 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.288 10.5 p 51.38 -70.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 127.732 2.413 . . . . 99.99 114.066 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 43.0 p -135.98 76.99 1.64 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.801 0.84 . . . . 99.99 109.979 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . 0.446 ' HB3' ' HB2' ' E' ' 273' ' ' GLN . 0.6 OUTLIER 67.17 126.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.938 1.295 . . . . 99.99 111.016 177.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -53.78 -42.59 68.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.453 1.101 . . . . 99.99 113.351 -174.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.597 ' HB3' ' HA2' ' E' ' 279' ' ' GLY . 24.5 m-80 -87.97 -46.93 8.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.903 0.481 . . . . 99.99 110.75 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' E' ' 270' ' ' GLU . 78.2 mt-30 -71.28 -15.22 62.41 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.577 0.751 . . . . 99.99 112.515 -175.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -66.91 -37.1 83.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.386 0.674 . . . . 99.99 110.121 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -82.08 145.48 53.02 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.293 1.037 . . . . 99.99 110.738 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.412 ' HB2' ' OH ' ' C' ' 56' ' ' TYR . 32.4 Cg_exo -57.69 -53.11 4.91 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 123.453 2.768 . . . . 99.99 113.604 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 63.7 tp -141.84 89.03 2.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.311 0.644 . . . . 99.99 109.3 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 21.6 tp -167.09 132.0 2.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.844 0.858 . . . . 99.99 109.191 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . 0.597 ' HA2' ' HB3' ' E' ' 272' ' ' ASN . . . -156.72 55.57 0.39 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' C' ' 95' ' ' ALA . 31.9 tp -166.27 164.46 17.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.526 0.73 . . . . 99.99 109.114 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 78.2 -52.63 0.5 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.073 1.749 . . . . 99.99 111.395 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.36 70.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.567 0.747 . . . . 99.99 110.336 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.55 111.15 23.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.135 0.974 . . . . 99.99 108.392 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -85.42 94.13 1.89 Allowed Glycine 0 C--N 1.344 0.985 0 O-C-N 123.712 0.632 . . . . 99.99 112.134 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.26 -35.29 75.94 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.543 0.737 . . . . 99.99 110.801 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.481 ' HG3' ' HD1' ' C' ' 133' ' ' PHE . 1.3 pmm? -87.67 119.07 70.51 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.194 0.998 . . . . 99.99 110.059 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -74.88 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 121.844 1.696 . . . . 99.99 110.596 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.504 HG13 ' H ' ' E' ' 290' ' ' TRP . 66.9 t -63.42 -65.88 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.306 -0.861 . . . . 99.99 110.136 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 58.95 13.77 2.99 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.818 1.247 . . . . 99.99 113.485 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.504 ' H ' HG13 ' E' ' 288' ' ' VAL . 5.9 t-105 58.71 104.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.918 1.287 . . . . 99.99 110.888 -176.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -132.59 101.06 0.44 Allowed Glycine 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.22 25.4 0.34 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.954 2.436 . . . . 99.99 113.762 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -73.87 92.74 2.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.622 1.169 . . . . 99.99 110.178 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -74.13 102.67 4.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.124 -1.065 . . . . 99.99 108.124 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 70.3 p -61.38 179.83 0.2 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.417 1.087 . . . . 99.99 113.046 -172.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.7 83.45 0.16 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.909 1.284 . . . . 99.99 110.831 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -118.36 6.94 11.87 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.107 0.963 . . . . 99.99 109.91 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -146.69 -171.59 16.15 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.144 -0.48 . . . . 99.99 112.533 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.38 136.87 50.02 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.791 0.837 . . . . 99.99 110.769 -176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 11.9 tt -117.68 88.06 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.326 0 C-N-CA 124.175 0.99 . . . . 99.99 108.53 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.12 157.95 41.13 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 115.674 -0.693 . . . . 99.99 111.98 -163.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -142.71 135.75 13.93 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.238 1.415 . . . . 99.99 109.422 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.55 164.99 27.79 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.923 2.415 . . . . 99.99 113.352 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -104.55 157.35 17.23 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.032 0.933 . . . . 99.99 111.672 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.456 HG23 HD11 ' D' ' 13' ' ' ILE . 30.6 m -119.33 158.44 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.095 0.958 . . . . 99.99 109.426 173.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 28.1 m -81.08 132.95 35.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.27 0.628 . . . . 99.99 111.71 -172.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 41.7 t -86.76 92.23 8.89 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.945 0.898 . . . . 99.99 110.799 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 309' ' ' THR . . . . . 0.51 HG21 ' HE1' ' D' ' 1' ' ' MET . 6.1 p -146.44 134.25 10.5 Favored Pre-proline 0 N--CA 1.485 1.313 0 C-N-CA 123.448 0.699 . . . . 99.99 111.219 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . 0.403 ' O ' HG22 ' E' ' 68' ' ' ILE . 79.1 Cg_endo -76.76 -26.43 8.22 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.804 2.336 . . . . 99.99 112.901 174.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 63.3 165.46 0.11 Allowed Pre-proline 0 N--CA 1.497 1.879 0 C-N-CA 124.167 0.987 . . . . 99.99 112.779 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.45 110.56 0.47 Allowed 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 122.633 2.222 . . . . 99.99 112.748 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.51 6.86 35.8 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.399 0.679 . . . . 99.99 110.745 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 66.11 -80.04 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.17 1.388 . . . . 99.99 110.277 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -172.41 -44.18 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.866 1.266 . . . . 99.99 109.995 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 62.55 173.56 0.14 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.216 1.406 . . . . 99.99 112.857 -171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 36.2 t -144.54 166.58 24.74 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.791 1.636 . . . . 99.99 107.61 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.84 103.87 21.86 Favored Pre-proline 0 N--CA 1.481 1.104 0 N-CA-C 109.672 -0.492 . . . . 99.99 109.672 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -91.11 85.9 0.31 Allowed 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.858 2.372 . . . . 99.99 110.786 172.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m -77.24 77.32 3.78 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.613 -0.721 . . . . 99.99 111.055 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 14.0 tp 51.52 -93.11 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 125.954 1.701 . . . . 99.99 112.595 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 53.38 -77.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 126.158 1.783 . . . . 99.99 114.561 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -68.13 -27.05 66.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.602 1.161 . . . . 99.99 111.434 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.514 ' HB2' HG22 ' B' ' 55' ' ' VAL . 27.9 ttt -75.59 -37.17 60.05 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.677 0.391 . . . . 99.99 110.499 175.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 22.7 m -62.53 -29.85 70.87 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.819 -0.628 . . . . 99.99 110.42 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -80.27 117.55 21.15 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.923 -0.58 . . . . 99.99 109.443 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -83.48 82.04 8.46 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.081 0.943 . . . . 99.99 110.846 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.585 ' HB3' ' HA ' ' B' ' 52' ' ' ALA . . . -84.76 9.98 12.61 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 114.895 -1.048 . . . . 99.99 111.674 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 16.5 tt -64.54 -16.01 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 125.391 1.476 . . . . 99.99 112.812 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -29.26 69.66 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.457 0.703 . . . . 99.99 112.268 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.8 -52.23 39.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.483 0.713 . . . . 99.99 109.967 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 4.3 tt 56.23 90.36 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.918 1.386 . . . . 99.99 110.151 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 22.9 t -103.67 165.45 11.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.981 0.512 . . . . 99.99 109.973 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 66.07 95.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.928 1.291 . . . . 99.99 111.95 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -78.35 -35.87 46.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.733 0.813 . . . . 99.99 109.213 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.778 ' HG2' ' HA ' ' B' ' 47' ' ' ALA . 7.4 tp10 66.65 -78.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.956 1.703 . . . . 99.99 111.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.58 92.33 5.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.48 86.2 1.23 Allowed Glycine 0 C--N 1.343 0.943 0 N-CA-C 110.716 -0.954 . . . . 99.99 110.716 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 73.27 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.952 1.701 . . . . 99.99 111.357 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 65.31 -173.83 0.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.497 1.519 . . . . 99.99 111.957 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.0 pp -119.98 25.6 9.82 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.406 0.683 . . . . 99.99 111.066 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 71.23 168.66 0.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.987 1.315 . . . . 99.99 110.068 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.98 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 173.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 143.0 57.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.413 0.685 . . . . 99.99 110.522 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -83.95 47.96 3.95 Favored Glycine 0 C--N 1.35 1.334 0 C-N-CA 122.843 0.258 . . . . 99.99 112.488 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.49 97.66 6.51 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.783 0.833 . . . . 99.99 109.784 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 43.8 t -158.13 99.19 1.64 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.557 -0.905 . . . . 99.99 108.557 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.07 108.1 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 123.042 0.537 . . . . 99.99 109.942 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.23 103.28 5.33 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.118 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 58.55 -69.64 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.847 2.059 . . . . 99.99 114.46 167.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . 0.432 ' NE2' ' HG2' ' B' ' 39' ' ' GLU . 7.4 tt0 78.81 134.34 0.06 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.288 1.835 . . . . 99.99 109.907 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.8 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.237 1.415 . . . . 99.99 113.513 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.96 -18.81 25.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.301 1.44 . . . . 99.99 113.91 -169.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.24 -69.21 0.25 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.617 0.767 . . . . 99.99 111.092 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -173.76 21.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.291 0.636 . . . . 99.99 111.004 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 38.06 65.61 2.78 Favored Pre-proline 0 N--CA 1.501 2.108 0 C-N-CA 124.659 1.183 . . . . 99.99 111.717 -167.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.74 94.79 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.091 2.527 . . . . 99.99 113.652 -167.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.5 t -164.52 -88.07 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.059 0.944 . . . . 99.99 108.934 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 61.65 -96.48 0.12 Allowed Glycine 0 C--N 1.358 1.804 0 C-N-CA 123.493 0.568 . . . . 99.99 113.969 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -155.29 141.69 18.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.066 0.947 . . . . 99.99 108.844 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 2.6 mp -81.0 -43.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 109.024 -0.732 . . . . 99.99 109.024 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 131.4 99.77 0.81 Allowed Glycine 0 C--N 1.343 0.959 0 N-CA-C 110.993 -0.843 . . . . 99.99 110.993 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -76.75 81.18 3.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.461 0.705 . . . . 99.99 109.567 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 35.9 m -130.82 115.89 17.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.061 0.945 . . . . 99.99 108.688 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.9 m -72.4 161.51 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.306 0.643 . . . . 99.99 110.564 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.85 112.78 15.08 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.053 0.541 . . . . 99.99 110.246 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . 0.595 HD12 ' H ' ' E' ' 367' ' ' LEU . 0.0 OUTLIER -63.6 -6.2 4.98 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.228 1.011 . . . . 99.99 112.049 172.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.63 -35.54 70.62 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.931 1.293 . . . . 99.99 112.006 171.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.33 -33.0 74.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.332 0.653 . . . . 99.99 111.058 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.17 -16.71 64.1 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.553 0.741 . . . . 99.99 112.456 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.29 -22.49 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.474 0 C-N-CA 123.499 0.72 . . . . 99.99 111.33 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -59.61 -18.72 43.75 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.414 1.086 . . . . 99.99 112.436 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -23.5 65.41 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 112.018 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.3 63.45 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.582 0.753 . . . . 99.99 112.422 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.4 -20.87 63.55 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.43 1.092 . . . . 99.99 110.694 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.45 -21.82 62.74 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.734 0.814 . . . . 99.99 112.333 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.31 -25.22 67.75 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.506 0.722 . . . . 99.99 111.484 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.82 -10.21 55.56 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.748 0.819 . . . . 99.99 112.487 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -72.39 -20.17 61.49 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.8 1.24 . . . . 99.99 110.517 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -52.02 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.171 1.388 . . . . 99.99 111.938 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 72.89 -49.54 0.7 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.316 1.847 . . . . 99.99 113.719 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 68.02 -91.45 0.23 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -169.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 69.01 -65.26 0.3 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.359 1.463 . . . . 99.99 113.509 170.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 53.5 p 64.94 83.11 0.17 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.152 1.781 . . . . 99.99 111.084 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 59.9 tp -137.74 103.05 4.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.973 1.309 . . . . 99.99 108.169 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.81 120.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.403 -0.592 . . . . 99.99 109.403 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.27 127.37 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 125.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 C-N-CA 123.568 0.747 . . . . 99.99 111.586 -173.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.9 t -142.06 146.14 35.13 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.998 0.919 . . . . 99.99 109.182 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.72 89.45 2.28 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -166.23 151.01 8.05 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.026 0.93 . . . . 99.99 109.043 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -103.92 -3.88 24.18 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.18 0.592 . . . . 99.99 112.13 -171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -69.01 128.47 36.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.647 0.379 . . . . 99.99 110.646 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -73.32 -19.57 61.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.562 0.745 . . . . 99.99 110.787 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . 0.453 ' O ' HG23 ' E' ' 398' ' ' ILE . . . -141.03 155.07 46.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.27 1.028 . . . . 99.99 108.7 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 26.6 m -77.09 -0.01 23.17 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 111.993 0.368 . . . . 99.99 111.993 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.4 ' NE2' ' HB1' ' E' ' 395' ' ' ALA . 5.4 pm0 -136.6 10.98 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.676 0.79 . . . . 99.99 112.222 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . 0.467 HG13 HG23 ' E' ' 399' ' ' VAL . 9.1 tp -78.38 126.75 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.66 -0.496 . . . . 99.99 109.66 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.467 HG23 HG13 ' E' ' 398' ' ' ILE . 90.4 t 65.26 -72.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.392 1.477 . . . . 99.99 112.05 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -51.97 129.67 38.88 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.543 1.137 . . . . 99.99 111.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.74 123.65 11.31 Favored 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 122.335 2.023 . . . . 99.99 112.994 -166.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 36.9 t0 170.53 111.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.071 1.748 . . . . 99.99 106.414 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 t -88.49 68.18 8.72 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 122.106 0.955 . . . . 99.99 110.91 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.84 -31.88 68.74 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.621 -0.718 . . . . 99.99 110.982 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.95 23.45 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.86 0.864 . . . . 99.99 109.773 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.85 122.51 9.65 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.847 2.365 . . . . 99.99 111.51 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -150.72 -113.92 0.63 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 119.174 -0.792 . . . . 99.99 111.883 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 7.2 mp 59.57 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.301 1.44 . . . . 99.99 111.441 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 70.5 p -88.76 -44.04 10.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.202 0.601 . . . . 99.99 109.635 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 60.6 19.92 9.82 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.907 1.283 . . . . 99.99 111.613 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -158.02 143.15 16.67 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.764 0.826 . . . . 99.99 109.445 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 94.7 mt -114.48 110.05 19.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.836 0.854 . . . . 99.99 108.908 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 75.11 -64.93 0.36 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.175 1.39 . . . . 99.99 112.623 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.1 m 74.25 -69.59 0.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.616 1.566 . . . . 99.99 112.479 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -65.37 -25.83 67.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.919 0.888 . . . . 99.99 110.749 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -126.31 4.88 7.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.954 0.901 . . . . 99.99 111.974 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.28 69.12 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.882 -1.287 . . . . 99.99 109.882 167.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.31 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.545 1.538 . . . . 99.99 113.762 164.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 11.3 t 62.28 21.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 C-N-CA 124.765 1.226 . . . . 99.99 110.59 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.41 109.03 4.54 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.681 -0.637 . . . . 99.99 109.453 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.91 158.02 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 99.99 109.94 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 56.5 ttp 76.34 -71.18 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.258 1.423 . . . . 99.99 111.746 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 36.8 p -91.54 18.8 6.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 112.951 0.723 . . . . 99.99 112.951 -170.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.49 -49.43 14.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.0 0.52 . . . . 99.99 109.825 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 127.28 -61.38 0.64 Allowed Glycine 0 C--N 1.343 0.968 0 CA-C-N 116.081 -0.509 . . . . 99.99 112.144 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 75.75 -56.41 0.6 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.492 1.517 . . . . 99.99 110.639 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.5 m -154.04 -166.13 2.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.877 1.271 . . . . 99.99 108.245 163.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' E' ' 433' ' ' GLU . 37.6 mm-40 -55.99 -100.1 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.919 0.888 . . . . 99.99 110.927 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.87 -66.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.149 -0.969 . . . . 99.99 109.364 165.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.11 -80.4 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 CA-C-N 118.119 0.418 . . . . 99.99 110.562 164.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 49.9 m -113.89 -62.42 1.6 Allowed 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.046 1.403 . . . . 99.99 114.391 172.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -1.91 57.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 112.603 -2.089 . . . . 99.99 114.589 -143.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.438 ' HB2' ' HB3' ' E' ' 428' ' ' GLU . 10.8 mp0 -76.48 11.52 1.58 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.864 0.69 . . . . 99.99 112.864 -164.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -47.33 116.37 1.39 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.401 1.08 . . . . 99.99 109.254 159.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 25.7 m 72.47 -73.22 0.1 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.056 1.342 . . . . 99.99 111.635 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 90.87 -50.36 3.14 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.93 0.3 . . . . 99.99 112.355 -177.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 47.7 m 61.11 75.84 0.39 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.496 1.519 . . . . 99.99 110.836 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -93.41 10.55 31.79 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.646 -0.706 . . . . 99.99 110.602 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 79.9 mt 61.64 -143.21 0.45 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.252 1.021 . . . . 99.99 109.632 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 72.68 108.08 0.07 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.864 1.266 . . . . 99.99 111.748 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.5 mt 70.13 -69.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 125.676 1.591 . . . . 99.99 109.968 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -77.26 -177.66 4.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.394 1.078 . . . . 99.99 111.034 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 65.31 30.16 11.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.524 1.13 . . . . 99.99 111.786 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 35.3 t80 72.9 123.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.604 1.562 . . . . 99.99 110.871 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -99.63 -163.95 29.24 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.558 -0.579 . . . . 99.99 112.763 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.68 169.94 14.94 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.118 2.545 . . . . 99.99 113.093 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -95.04 3.6 54.69 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.721 0.808 . . . . 99.99 111.456 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 68.56 -79.62 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.467 1.507 . . . . 99.99 111.543 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 69.87 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.324 1.449 . . . . 99.99 112.549 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -138.82 -64.13 0.52 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.43 1.092 . . . . 99.99 110.547 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 6.2 p -158.71 126.45 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 123.529 0.732 . . . . 99.99 111.256 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 58.3 t -88.39 155.93 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 123.856 0.862 . . . . 99.99 110.014 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -143.18 -8.59 0.53 Allowed Glycine 0 C--N 1.349 1.29 0 C-N-CA 123.632 0.634 . . . . 99.99 112.343 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 65.6 tp -74.91 85.14 2.23 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 123.358 0.663 . . . . 99.99 110.461 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 p -108.15 74.17 0.92 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.926 0.89 . . . . 99.99 108.6 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.77 36.25 26.3 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.858 -1.519 . . . . 99.99 111.387 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.09 -85.22 0.03 OUTLIER 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.297 -0.631 . . . . 99.99 109.297 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 74.1 m 47.99 75.24 0.14 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.062 0.945 . . . . 99.99 111.867 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.11 168.74 18.46 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.544 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 45' ' ' ASP . 56.7 tp -159.6 128.04 5.02 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.255 0.622 . . . . 99.99 109.679 172.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 136' ' ' LEU . 26.5 m-85 -85.29 170.78 12.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.209 -0.905 . . . . 99.99 111.069 171.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.663 ' HA ' HD11 ' A' ' 44' ' ' LEU . 2.3 p90 -144.97 89.49 1.97 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 463' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 132' ' ' ASN . 2.6 m -130.01 157.73 41.55 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.808 -1.087 . . . . 99.99 109.654 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.6 107.88 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.573 1.149 . . . . 99.99 109.795 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' E' ' 465' ' ' LYS . 0.3 OUTLIER -83.13 45.13 0.99 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.533 0.682 . . . . 99.99 110.008 -178.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . 0.632 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . 50.27 -90.54 0.02 OUTLIER 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.006 1.722 . . . . 99.99 111.593 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . 0.447 ' HA ' ' HE2' ' E' ' 471' ' ' LYS . . . 62.94 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.177 1.391 . . . . 99.99 111.511 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.2 -68.8 0.21 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.55 1.54 . . . . 99.99 109.621 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -178.56 -32.95 0.05 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.004 -0.838 . . . . 99.99 111.004 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.21 -28.31 68.66 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.885 0.874 . . . . 99.99 111.883 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.493 ' HB2' ' H ' ' A' ' 40' ' ' VAL . 32.1 ttpt . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.249 -1.019 . . . . 99.99 108.249 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.855 -0.424 . . . . 99.99 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -151.63 -178.61 6.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.292 1.037 . . . . 99.99 109.222 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.96 -20.4 57.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.002 0.521 . . . . 99.99 111.181 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -121.45 175.19 6.31 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.247 1.019 . . . . 99.99 108.551 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.638 ' HB2' HG22 ' A' ' 10' ' ' THR . 10.4 m120 -50.03 -50.99 45.7 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.881 1.272 . . . . 99.99 112.496 -175.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 87' ' ' ALA . 24.6 t-20 57.2 81.54 0.14 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.565 1.146 . . . . 99.99 111.894 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -137.39 -86.53 0.3 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 122.868 0.467 . . . . 99.99 110.876 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.89 -48.22 3.81 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.715 0.806 . . . . 99.99 109.368 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.83 134.41 18.68 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.638 HG22 ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -163.67 122.49 1.99 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.303 1.041 . . . . 99.99 108.647 175.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.434 ' HB3' ' HB ' ' E' ' 452' ' ' VAL . 1.2 t80 -137.64 137.01 38.02 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -140.83 130.49 24.16 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 99.99 109.42 -168.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 34.4 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.475 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 17.02 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 50.99 110.001 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 18.45 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 13.15 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 6.92 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 22.19 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 43.73 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 11.1 m170 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.664 ' HD2' HD23 ' E' ' 470' ' ' LEU . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 63.88 112.639 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' E' ' 468' ' ' LEU . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 73.6 109.319 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HA ' ' HB3' ' E' ' 467' ' ' ALA . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.584 HD23 HD21 ' E' ' 468' ' ' LEU . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 99.99 110.095 -176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.477 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD21 ' H ' ' A' ' 133' ' ' PHE . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 50.91 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 67.81 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 99.99 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 81.17 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.426 ' HE1' ' HB ' ' A' ' 86' ' ' ILE . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.728 ' HB2' HD12 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.23 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 75.11 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 32.98 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 27.21 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.58 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 28.74 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 35.81 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 19.33 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 29.68 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 25.47 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 80.58 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 99.99 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 40.21 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 30.66 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 59.79 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 30.86 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.687 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 20.96 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 21.28 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 80.87 108.421 170.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 73.7 p -91.21 120.3 32.01 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 8.5 tp -107.59 141.43 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.252 -1.018 . . . . 99.99 108.252 170.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 6' ' ' ASN . . . -152.8 136.4 16.03 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 122.359 0.264 . . . . 99.99 111.453 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.1 -33.62 3.99 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.581 -0.736 . . . . 99.99 114.049 172.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.0 mt -122.78 145.28 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.038 -1.097 . . . . 99.99 108.038 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.05 -163.03 1.31 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 123.192 0.597 . . . . 99.99 111.173 -173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.03 -158.1 51.79 Favored Glycine 0 C--N 1.352 1.441 0 C-N-CA 124.032 0.825 . . . . 99.99 113.323 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.5 p -62.68 -29.21 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.732 0.813 . . . . 99.99 111.527 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -57.23 -51.08 70.77 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.088 0.868 . . . . 99.99 110.481 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.531 ' SD ' HD11 ' E' ' 454' ' ' LEU . 15.0 mmt -82.43 -17.6 44.82 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.715 -0.675 . . . . 99.99 111.805 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.23 67.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.266 0.485 . . . . 99.99 110.833 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.446 ' HB3' ' NE2' ' E' ' 457' ' ' GLN . 44.9 m80 -63.93 -29.59 70.75 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.546 0.738 . . . . 99.99 111.042 171.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.668 ' SG ' HD23 ' E' ' 454' ' ' LEU . 43.7 t -68.83 -53.81 19.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.897 0.479 . . . . 99.99 109.951 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.21 -21.81 65.43 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.25 -0.886 . . . . 99.99 112.562 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 99.99 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 99.99 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 79.06 114.629 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 59.39 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 99.99 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 83.34 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 42.55 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 17.98 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 13.2 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 36.0 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 15.85 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.483 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 19.0 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 5.43 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.496 HG21 HG22 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 18.83 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 22.63 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 6.65 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 88.83 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 51.92 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 39.96 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 11.33 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.415 HG21 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 32.89 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 19.39 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 30.18 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 90.79 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.483 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 93.81 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 77.99 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.654 ' HD3' ' HA3' ' E' ' 143' ' ' GLY . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 85.02 111.358 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 44' ' ' LEU . 3.8 p -137.82 120.74 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 135' ' ' ALA . 62.6 t30 -113.65 83.84 1.92 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.706 0.802 . . . . 99.99 111.239 171.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' H ' HD21 ' A' ' 44' ' ' LEU . 5.8 m-30 -74.61 -27.53 60.5 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.526 0.33 . . . . 99.99 111.107 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.593 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 33.4 t70 -69.62 -22.45 63.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.564 0.54 . . . . 99.99 112.146 -170.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.495 ' HB2' ' ND2' ' A' ' 132' ' ' ASN . . . -59.48 -32.49 70.31 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.821 0.448 . . . . 99.99 111.538 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.46 -34.63 60.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.447 1.099 . . . . 99.99 109.703 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.593 ' HD1' ' HA ' ' A' ' 134' ' ' ASP . 83.1 m-85 -76.26 -24.61 54.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.085 0.554 . . . . 99.99 111.449 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.544 ' HE2' HD22 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -77.15 -41.1 43.14 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.893 -0.781 . . . . 99.99 108.893 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -57.16 -38.73 74.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.835 -1.075 . . . . 99.99 110.058 171.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -66.22 -34.84 78.94 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.982 0.913 . . . . 99.99 113.123 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD22 ' HE2' ' A' ' 138' ' ' MET . 3.0 pp -56.48 -23.38 38.82 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.246 0.832 . . . . 99.99 113.246 -166.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.418 ' HB2' HD12 ' A' ' 141' ' ' LEU . 9.3 tt0 -147.74 18.56 1.15 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.561 0.744 . . . . 99.99 110.302 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 38.21 70.18 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 125.386 1.475 . . . . 99.99 111.95 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.55 -17.53 53.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 114.794 -1.094 . . . . 99.99 111.882 -168.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -94.4 18.91 10.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.37 0.668 . . . . 99.99 110.262 167.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.13 28.13 70.14 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 123.786 0.707 . . . . 99.99 114.131 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 65.42 -75.05 0.05 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.27 1.428 . . . . 99.99 111.433 -173.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -96.44 61.41 1.24 Allowed Glycine 0 C--N 1.345 1.039 0 CA-C-O 119.564 -0.575 . . . . 99.99 113.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 62.7 m 73.63 -64.31 0.4 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.241 1.416 . . . . 99.99 112.608 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -110.48 -177.76 3.32 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.048 0.939 . . . . 99.99 109.511 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 74.38 124.57 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.183 1.393 . . . . 99.99 111.26 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -82.08 81.76 7.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.45 0.7 . . . . 99.99 110.101 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 70.92 -5.4 1.5 Allowed 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 124.474 1.109 . . . . 99.99 113.082 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.96 132.69 47.61 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 -171.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 123.344 0.657 . . . . 99.99 110.008 -178.335 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.458 ' SD ' ' HA ' ' E' ' 124' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 111.883 0.327 . . . . 99.99 111.883 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 68.38 -71.81 0.11 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.13 1.372 . . . . 99.99 110.41 -167.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -127.04 -173.12 2.81 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.746 1.218 . . . . 99.99 108.721 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -57.35 142.1 44.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.939 0.896 . . . . 99.99 111.087 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -135.94 -83.63 0.38 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.062 0.545 . . . . 99.99 110.498 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.85 136.08 43.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.3 0.64 . . . . 99.99 110.432 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 m 68.89 163.13 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.678 1.191 . . . . 99.99 111.335 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.41 -166.22 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 123.951 0.9 . . . . 99.99 111.562 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.672 ' SD ' HG22 ' B' ' 89' ' ' ILE . 14.9 tpt 68.13 169.87 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.26 1.024 . . . . 99.99 110.961 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.8 t -149.27 114.04 5.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.538 -0.912 . . . . 99.99 108.538 168.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.412 ' HB2' ' HE2' ' B' ' 9' ' ' MET . 17.6 t80 -141.16 119.11 11.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.834 0.853 . . . . 99.99 109.737 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.541 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 61.13 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 99.99 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.425 ' HG2' ' HD1' ' B' ' 17' ' ' TYR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 99.99 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' D' ' 127' ' ' ASN . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 22.84 107.87 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 25.35 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.423 HG23 HD13 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 18.25 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 41.37 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' B' ' 113' ' ' CYS . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 15.07 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 29.37 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 11.41 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 27.88 107.9 170.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 50.7 m-80 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 51.27 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HZ2' ' HG2' ' B' ' 71' ' ' GLU . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 99.99 110.897 -173.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HA ' HD21 ' B' ' 68' ' ' LEU . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.448 HG11 ' HB2' ' E' ' 7' ' ' ALA . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 99.89 110.008 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.48 HD22 ' HB1' ' E' ' 7' ' ' ALA . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 99.99 111.092 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 99.99 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 89.58 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 50.34 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 99.99 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 44.59 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 98.19 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 93.17 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' HD2' ' E' ' 350' ' ' LYS . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 98.7 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 99.99 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.403 ' HB2' HD13 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.524 HG11 HD23 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 85.08 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 32.75 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 89.85 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 99.99 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 30.69 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 50.25 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.55 HG22 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 27.1 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 27.69 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 28.91 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 82.69 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 84.99 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 91.81 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.404 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 39.53 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 37.29 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 21.12 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 29.86 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 13.61 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 13.23 108.475 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 36.68 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 12.8 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 51.05 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.541 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 99.99 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 99.23 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 99.99 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.672 HG22 ' SD ' ' B' ' 9' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.419 HG21 ' HB3' ' E' ' 313' ' ' GLN . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.488 ' HG3' HG23 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.597 ' HE3' HD13 ' B' ' 98' ' ' LEU . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.542 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.597 HD13 ' HE3' ' B' ' 94' ' ' MET . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 99.37 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 67.76 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' B' ' 134' ' ' ASP . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 81.59 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.428 ' HB2' ' HB ' ' E' ' 67' ' ' ILE . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 55.65 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 48.03 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 99.99 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 59.06 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 27.15 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 18.14 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 25.24 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 18.19 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 76.84 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' B' ' 21' ' ' ILE . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 28.75 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.55 HG21 HG22 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 30.1 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 17.12 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.81 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 50.71 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 23.64 110.288 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 49.99 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.433 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 33.79 111.917 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 28.26 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 39.05 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 99.99 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 99.99 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 64.44 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.629 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 75.43 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' E' ' 306' ' ' VAL . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.99 110.115 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.0 113.66 9.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -66.98 -30.13 70.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.56 1.144 . . . . 99.99 111.135 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' B' ' 100' ' ' ALA . 3.4 p-10 -60.73 -46.24 91.18 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 99.99 111.034 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.63 86.13 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.375 -0.829 . . . . 99.99 111.037 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.646 ' HG ' HD23 ' E' ' 8' ' ' LEU . 1.3 tm? -51.86 -52.12 51.79 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.44 1.096 . . . . 99.99 111.211 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -70.3 -29.49 66.24 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.331 -0.395 . . . . 99.99 110.742 -175.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -73.18 -34.57 66.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.635 0.774 . . . . 99.99 110.82 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' B' ' 143' ' ' GLN . 12.0 m120 -75.68 -1.25 23.89 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.221 0.609 . . . . 99.99 111.936 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -62.46 -33.13 74.22 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.048 0.451 . . . . 99.99 109.869 167.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.406 HD22 ' O ' ' E' ' 315' ' ' ASN . 66.7 mt -86.03 10.48 14.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.159 0.983 . . . . 99.99 111.749 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 70.81 116.34 0.04 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.328 1.451 . . . . 99.99 110.48 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . 0.409 ' HB3' ' ND2' ' B' ' 139' ' ' ASN . 27.1 pt20 -74.63 -14.14 60.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.489 0.716 . . . . 99.99 112.114 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -77.01 85.11 3.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.577 0.751 . . . . 99.99 110.039 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.51 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.338 1.055 . . . . 99.99 108.52 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.46 132.94 0.94 Allowed Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.574 -0.739 . . . . 99.99 114.247 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -171.44 -70.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -115.22 124.4 6.31 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 109.604 -1.399 . . . . 99.99 109.604 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 2.3 p -65.07 -69.49 0.29 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.546 0.738 . . . . 99.99 111.769 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -98.55 -0.67 42.78 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 119.296 -0.383 . . . . 99.99 110.571 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 66.83 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.236 1.014 . . . . 99.99 109.107 -166.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -178.04 -37.66 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.584 1.554 . . . . 99.99 108.348 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 81.98 80.21 0.03 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.391 1.876 . . . . 99.99 110.768 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 59.97 -155.93 0.35 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.548 1.155 . . . . 99.99 112.357 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 N-CA-C 107.8 -1.185 . . . . 99.99 107.8 169.684 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 110.469 -0.197 . . . . 99.99 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t 57.54 81.1 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.918 1.287 . . . . 99.99 109.99 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 72.01 134.94 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.252 1.421 . . . . 99.99 110.2 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -129.36 168.97 15.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.779 0.831 . . . . 99.99 110.024 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 t30 79.81 -46.01 0.32 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.492 1.517 . . . . 99.99 112.472 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 66.0 -174.95 0.18 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.843 1.257 . . . . 99.99 111.882 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 63.7 p 61.07 -68.22 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.006 1.722 . . . . 99.99 111.401 -172.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 67.22 -174.09 0.19 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.816 1.247 . . . . 99.99 111.945 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 4.6 mpp? 64.86 112.89 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.611 1.564 . . . . 99.99 111.712 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 83.9 m -88.47 99.69 12.48 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.583 -0.525 . . . . 99.99 109.583 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.444 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 -114.24 135.29 54.22 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 165.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.713 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.481 HG12 ' H ' ' E' ' 140' ' ' GLY . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 82.71 108.731 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.414 ' HG2' ' HE1' ' E' ' 147' ' ' HIS . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 99.99 111.977 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.433 ' HA ' ' CG1' ' E' ' 144' ' ' VAL . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 17.72 109.331 -175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' THR . . . . . 0.413 HG23 HE22 ' C' ' 80' ' ' GLN . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 9.52 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 51.3 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 13.13 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 15.89 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 10.19 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 26.52 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 43.6 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 57.64 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 78.76 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.661 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 99.99 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.628 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 72.29 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.805 HG22 ' HG3' ' E' ' 294' ' ' LYS . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 99.99 109.71 176.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.442 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 99.99 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.573 HD22 HD12 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 99.99 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 90.89 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 55.92 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 78.18 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 57.25 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.478 HE22 ' HA ' ' E' ' 262' ' ' ALA . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 99.99 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 97.58 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.525 ' HE2' ' HB1' ' C' ' 87' ' ' ALA . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.562 ' HB2' HD13 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 43.88 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 30.1 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.573 HD12 HD22 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 99.67 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 31.81 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.79 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 29.1 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.645 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 36.6 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 38.08 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 65.72 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 99.99 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 83.21 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.661 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 40.89 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.452 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 38.89 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.447 ' HD1' ' HH ' ' E' ' 297' ' ' TYR . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 66.65 110.586 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 32.91 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 14.84 109.827 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 26.52 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.431 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.0 tp-100 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 12.17 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 39.17 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.713 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt -142.34 98.33 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.525 ' HB1' ' HE2' ' C' ' 56' ' ' TYR . . . -126.08 16.79 7.87 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.252 0.621 . . . . 99.99 109.862 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.58 99.81 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.978 -1.01 . . . . 99.99 114.745 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.639 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 35.3 mm 60.38 78.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.285 1.034 . . . . 99.99 109.692 -173.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.477 ' H ' ' HB2' ' C' ' 94' ' ' MET . 19.7 mt-10 -94.62 0.74 55.38 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.99 -1.005 . . . . 99.99 110.579 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.9 -120.67 6.88 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 116.062 -0.517 . . . . 99.99 112.575 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 56.0 p -73.53 -16.76 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.536 0.734 . . . . 99.99 111.522 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.53 -37.52 56.55 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.302 -0.629 . . . . 99.99 109.302 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.0 ttt -69.71 -21.44 63.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.671 -0.695 . . . . 99.99 110.3 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.85 98.27 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.457 -0.338 . . . . 99.99 110.338 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -69.91 -28.52 65.68 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.686 -0.688 . . . . 99.99 111.237 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' C' ' 86' ' ' ILE . 52.4 t -81.98 -61.31 1.95 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.543 0.737 . . . . 99.99 111.676 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' E' ' 280' ' ' LEU . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 81.7 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 68.22 110.306 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 85.73 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 52.77 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.569 HG13 ' HA ' ' E' ' 142' ' ' LEU . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 18.22 111.862 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 62.78 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 20.21 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 17.97 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 10.09 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 18.56 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 31.03 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.433 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 26.09 112.862 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.455 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 21.24 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 14.3 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 10.17 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.606 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 12.08 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 54.79 109.891 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 23.93 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 27.3 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.408 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 36.76 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.448 ' HG2' ' HD1' ' E' ' 297' ' ' TYR . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 44.0 110.935 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.64 HD11 ' HG1' ' E' ' 296' ' ' THR . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 92.07 107.327 168.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 43.42 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 64.09 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 45.54 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 40.22 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' E' ' 288' ' ' VAL . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 98.11 109.128 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -84.08 -11.95 55.86 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.551 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 7.1 p-10 -65.81 -44.56 85.32 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.075 0.464 . . . . 99.99 111.429 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.11 61.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.87 -1.059 . . . . 99.99 110.951 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.831 ' HA ' ' HA3' ' E' ' 453' ' ' GLY . 8.2 tt -60.78 -45.07 95.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.101 0.961 . . . . 99.99 110.302 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -80.97 -25.39 37.37 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.326 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.09 -44.04 73.29 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.298 0.639 . . . . 99.99 109.956 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.2 -36.21 77.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.672 1.589 . . . . 99.99 110.905 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -70.67 -158.31 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 109.229 -0.656 . . . . 99.99 109.229 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 51.2 tp 61.27 -63.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.08 0.952 . . . . 99.99 111.003 -165.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -53.52 -68.31 0.19 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.058 1.343 . . . . 99.99 110.489 168.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 73.7 -37.56 0.38 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.188 1.395 . . . . 99.99 113.072 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -72.09 -179.18 2.69 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.067 0.947 . . . . 99.99 111.162 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.86 178.39 0.25 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.69 1.196 . . . . 99.99 110.8 -170.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.09 -53.88 0.65 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.614 -0.994 . . . . 99.99 110.614 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.33 96.54 7.34 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.0 69.95 0.19 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 109.96 -1.256 . . . . 99.99 109.96 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 27.4 m -63.13 93.06 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.896 0.878 . . . . 99.99 111.195 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 58.26 -87.0 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.172 1.389 . . . . 99.99 112.365 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 39.64 -160.87 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 0 C-N-CA 126.652 1.981 . . . . 99.99 113.33 -173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 64.9 -77.8 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.291 1.436 . . . . 99.99 110.966 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -63.24 -58.72 6.25 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.8 t70 52.44 -81.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.925 1.69 . . . . 99.99 112.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.201 1.0 . . . . 99.99 109.045 -179.471 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.944 -0.391 . . . . 99.99 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -72.54 -62.07 1.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.931 0.492 . . . . 99.99 110.646 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 67.27 -77.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.342 1.457 . . . . 99.99 110.858 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -114.54 -23.76 9.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 99.99 109.651 171.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t30 71.7 132.06 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.773 1.629 . . . . 99.99 109.816 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.47 82.8 0.09 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.787 0.803 . . . . 99.99 111.155 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -169.57 74.89 0.09 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 104.49 -2.411 . . . . 99.99 104.49 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -82.42 59.0 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.321 0.648 . . . . 99.99 110.275 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.469 ' HE2' ' HB2' ' D' ' 11' ' ' PHE . 11.9 tpt -33.13 128.71 0.27 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.955 1.702 . . . . 99.99 112.683 169.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m -122.04 118.68 29.34 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.469 ' HB2' ' HE2' ' D' ' 9' ' ' MET . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 79.57 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.458 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.514 HD11 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 99.99 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.629 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 81.0 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.578 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 28.79 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 14.92 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.464 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 58.5 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 14.63 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 15.53 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 6.05 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 14.28 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . 0.566 ' HB3' ' HB2' ' E' ' 431' ' ' SER . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 16.78 112.543 -170.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 22.87 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 21.13 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 30.2 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 64.18 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.422 ' HB3' ' HZ2' ' E' ' 131' ' ' TRP . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.457 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 34.41 109.663 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 54.02 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 34.31 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.458 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 83.42 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 99.99 109.555 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 97.22 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' E' ' 112' ' ' ASN . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 99.99 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 62.54 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 55.71 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 61.91 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.99 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 93.38 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 99.99 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . 0.52 ' HA ' HD12 ' E' ' 100' ' ' LEU . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 99.99 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 71.26 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 36.06 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 79.92 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 22.5 107.424 167.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 23.18 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.458 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 24.43 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 32.61 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 25.12 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 49.15 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 32.34 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 33.15 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.457 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 19.1 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.486 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 12.32 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 8.66 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 19.44 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 10.02 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 29.4 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.3 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 65.32 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.503 ' HA ' HG21 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 99.99 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.422 ' N ' HD11 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 99.99 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.449 ' SD ' HG21 ' E' ' 97' ' ' ILE . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 99.99 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 99.99 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 70.12 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 64.46 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 46.86 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 45.41 114.1 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 38.42 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 87.71 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.514 HG21 HD11 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 35.35 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 21.86 111.746 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 12.38 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 8.42 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 15.0 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 17.35 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 12.17 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' D' ' 21' ' ' ILE . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.56 111.262 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.615 HD13 HD12 ' D' ' 128' ' ' LEU . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 19.17 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 19.58 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 14.23 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 6.04 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 19.19 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 16.36 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 7.12 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 35.79 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 27.88 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . 0.518 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 17.97 111.458 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 33.77 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.492 HD21 HD13 ' B' ' 16' ' ' ILE . 12.5 m120 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 99.99 109.587 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.615 HD12 HD13 ' D' ' 114' ' ' ILE . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 35.86 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' E' ' 125' ' ' ALA . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 48.78 110.692 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 48.18 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 95.86 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.493 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 -58.63 4.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.95 -25.07 61.73 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.992 0.917 . . . . 99.99 112.939 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.407 ' HB3' HD12 ' E' ' 111' ' ' LEU . 2.6 tt -70.79 -50.24 37.87 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.16 0.505 . . . . 99.99 109.962 -174.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -77.63 -34.03 53.39 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.217 -0.901 . . . . 99.99 110.236 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 38.2 ttm -55.28 -50.6 69.11 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.43 1.092 . . . . 99.99 111.414 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -53.81 -35.32 61.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.789 1.236 . . . . 99.99 112.636 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -89.11 -40.17 13.11 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.75 -0.659 . . . . 99.99 111.22 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.91 -32.93 74.31 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.899 0.88 . . . . 99.99 111.715 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -80.73 9.03 6.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.966 0.906 . . . . 99.99 111.922 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.08 48.59 2.39 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.549 -1.278 . . . . 99.99 107.549 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -170.72 94.12 0.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.864 -1.162 . . . . 99.99 107.864 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.43 113.79 7.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.156 0.582 . . . . 99.99 110.404 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.44 26.8 0.78 Allowed Glycine 0 N--CA 1.473 1.122 0 N-CA-C 111.247 -0.741 . . . . 99.99 111.247 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.59 138.13 33.51 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.429 0.692 . . . . 99.99 110.35 -173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 67.84 9.05 55.43 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.732 0.645 . . . . 99.99 114.394 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 149' ' ' THR . . . . . 0.404 HG21 ' HB1' ' D' ' 155' ' ' ALA . 68.9 p -83.17 101.74 11.4 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -161.02 74.72 0.5 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.963 0.505 . . . . 99.99 110.808 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 56.04 18.84 3.35 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.354 1.061 . . . . 99.99 113.348 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -79.88 -84.96 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.56 0.344 . . . . 99.99 111.441 -167.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -88.41 -55.23 3.81 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.67 -0.863 . . . . 99.99 108.67 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -152.24 -37.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.8 -1.545 . . . . 99.99 107.962 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . 0.404 ' HB1' HG21 ' D' ' 149' ' ' THR . . . . . . . . 0 C--O 1.258 1.55 0 CA-C-N 114.761 -1.109 . . . . 99.99 109.671 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.152 0 CA-C-O 121.656 0.741 . . . . 99.99 110.097 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -170.43 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.043 0.937 . . . . 99.99 109.817 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -157.82 172.94 17.58 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 107.758 -1.201 . . . . 99.99 107.758 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -63.2 95.9 0.09 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.517 -0.549 . . . . 99.99 109.517 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.645 HG22 ' HB3' ' E' ' 304' ' ' PRO . 12.8 t -75.49 -1.34 23.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.972 0.909 . . . . 99.99 111.839 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -59.53 131.1 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.604 0.716 . . . . 99.99 110.264 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.48 ' HB1' HD22 ' B' ' 42' ' ' LEU . . . -87.44 5.79 37.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.133 -0.94 . . . . 99.99 112.794 -170.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.646 HD23 ' HG ' ' B' ' 136' ' ' LEU . 3.4 tt -59.89 116.4 4.09 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 123.999 0.812 . . . . 99.99 109.718 -172.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.69 10.55 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.986 0.915 . . . . 99.99 111.117 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.27 146.97 40.63 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.824 -1.08 . . . . 99.99 110.329 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.12 151.85 64.07 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.63 0.772 . . . . 99.99 109.881 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.21 -18.22 50.58 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.615 2.21 . . . . 99.99 113.298 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.57 163.89 36.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.835 0.454 . . . . 99.99 110.495 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.76 5.87 6.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.416 1.086 . . . . 99.99 111.91 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 t80 68.57 23.9 7.12 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.568 1.147 . . . . 99.99 110.024 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.456 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 24.5 m -53.52 -50.72 81.53 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 114.635 1.346 . . . . 99.99 114.635 -163.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.573 ' HD2' ' HA ' ' E' ' 21' ' ' ALA . 15.3 Cg_exo -71.17 102.52 1.26 Allowed 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 121.641 1.561 . . . . 99.99 112.029 172.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.487 HG23 HD13 ' B' ' 89' ' ' ILE . 2.4 t -78.2 79.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 107.945 -1.131 . . . . 99.99 107.945 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 2.2 p -169.13 -44.68 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.649 1.579 . . . . 99.99 107.229 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' E' ' 22' ' ' ARG . 19.5 ptmt -150.2 -44.8 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.951 -1.477 . . . . 99.99 110.151 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.573 ' HA ' ' HD2' ' E' ' 17' ' ' PRO . . . 71.42 -56.29 0.64 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.514 1.526 . . . . 99.99 112.086 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.465 ' HB2' ' HG2' ' E' ' 330' ' ' GLU . 15.4 ptm180 -55.21 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.267 1.027 . . . . 99.99 110.551 166.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -126.59 126.15 24.51 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.219 0.608 . . . . 99.99 111.327 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . 0.498 ' HD3' ' HG3' ' E' ' 330' ' ' GLU . 9.8 Cg_exo -73.58 137.17 24.76 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 122.619 2.213 . . . . 99.99 109.043 160.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.24 114.94 9.82 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.828 0.346 . . . . 99.99 111.371 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.457 ' HE3' ' HB ' ' E' ' 28' ' ' VAL . 26.1 ttt -148.04 106.05 3.64 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 171.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.6 38.2 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 123.654 2.903 . . . . 99.99 112.842 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.457 ' HB ' ' HE3' ' E' ' 26' ' ' MET . 6.4 p -62.05 -45.0 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.216 1.007 . . . . 99.99 110.835 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.46 128.23 0.54 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.139 -1.43 . . . . 99.99 107.139 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.26 -40.43 86.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.446 0.699 . . . . 99.99 112.2 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 54.0 t30 75.58 -35.1 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 125.887 1.675 . . . . 99.99 112.863 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -11.7 54.99 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.564 1.146 . . . . 99.99 112.32 -177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.79 55.39 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 124.072 0.949 . . . . 99.99 111.873 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.69 -72.43 0.09 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.281 1.432 . . . . 99.99 111.518 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -123.08 -74.15 0.63 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.321 0.648 . . . . 99.99 109.318 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.53 124.52 0.1 OUTLIER Glycine 0 C--N 1.353 1.501 0 CA-C-N 116.116 -0.493 . . . . 99.99 112.315 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.15 86.3 3.0 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.127 -0.694 . . . . 99.99 109.127 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.525 HG22 ' H ' ' E' ' 39' ' ' THR 0.272 6.4 tp 39.85 -89.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.733 0 C-N-CA 126.302 1.841 . . . . 99.99 113.194 -176.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' THR . . . . . 0.525 ' H ' HG22 ' E' ' 38' ' ' ILE . 36.1 m 71.87 -58.4 0.59 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.837 1.655 . . . . 99.99 113.353 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.51 82.22 0.22 Allowed Pre-proline 0 C--N 1.355 0.832 0 C-N-CA 124.778 1.231 . . . . 99.99 109.535 -169.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.12 89.12 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 123.368 2.712 . . . . 99.99 112.872 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.23 7.64 66.77 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.522 -0.763 . . . . 99.99 112.579 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.46 -116.13 2.25 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.179 -0.768 . . . . 99.99 111.179 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.71 -81.17 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.321 1.448 . . . . 99.99 111.704 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 60.36 -85.74 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.216 1.406 . . . . 99.99 112.205 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 40.46 0.83 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.877 0.871 . . . . 99.99 112.256 -172.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 37.14 74.44 0.08 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.699 1.599 . . . . 99.99 111.93 -168.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 38.7 m -71.96 85.44 0.98 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.88 -1.055 . . . . 99.99 110.214 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.69 69.35 3.37 Favored Glycine 0 C--N 1.343 0.941 0 N-CA-C 109.969 -1.252 . . . . 99.99 109.969 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.84 103.77 0.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.927 0.891 . . . . 99.99 110.999 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -72.67 -15.89 61.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.145 0.978 . . . . 99.99 112.4 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -19.73 62.24 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.691 0.281 . . . . 99.99 110.409 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -9.78 47.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.137 0.975 . . . . 99.99 111.933 168.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . 0.452 ' HB2' ' H ' ' E' ' 61' ' ' ASP . . . 79.01 23.06 0.58 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.622 1.569 . . . . 99.99 111.507 175.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 tt 61.2 -79.41 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.516 1.526 . . . . 99.99 109.686 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -105.11 42.44 1.22 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.713 0.805 . . . . 99.99 109.364 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 46.26 -72.2 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 127.104 2.162 . . . . 99.99 116.328 170.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 13.7 p -61.17 83.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.032 1.333 . . . . 99.99 113.665 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 tp 57.92 12.38 1.73 Allowed 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 125.986 1.714 . . . . 99.99 113.266 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 31.0 m -71.61 -42.55 67.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.971 0.508 . . . . 99.99 110.756 -174.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . 0.452 ' H ' ' HB2' ' E' ' 54' ' ' ALA . 27.0 t70 63.21 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.817 1.247 . . . . 99.99 111.343 173.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.523 ' HE2' ' HB3' ' E' ' 64' ' ' ALA . 14.7 tmtt? -138.65 84.61 18.23 Favored Pre-proline 0 CA--C 1.551 0.996 0 N-CA-C 106.571 -1.64 . . . . 99.99 106.571 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -92.29 22.05 0.67 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.24 2.626 . . . . 99.99 112.994 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.523 ' HB3' ' HE2' ' E' ' 62' ' ' LYS . . . -80.28 77.43 7.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.288 0.635 . . . . 99.99 110.01 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -106.68 -172.4 2.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.481 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -73.87 -157.38 0.05 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.267 1.027 . . . . 99.99 110.809 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' B' ' 101' ' ' TYR . 19.4 tt -74.95 78.77 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-O 122.689 1.233 . . . . 99.99 111.081 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -97.46 88.93 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.234 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 79.2 mt -103.83 89.73 3.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.332 -0.849 . . . . 99.99 110.764 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 78.0 mt 74.73 -31.22 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.482 1.513 . . . . 99.99 114.094 169.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.68 90.74 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.029 0.932 . . . . 99.99 110.153 -169.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.55 -150.03 39.39 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.633 -0.712 . . . . 99.99 111.823 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -153.43 -47.11 0.09 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.046 0.538 . . . . 99.99 109.764 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.15 -164.79 25.46 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-N 116.528 -0.306 . . . . 99.99 113.38 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -142.92 128.62 19.25 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.265 1.026 . . . . 99.99 108.641 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.51 141.56 15.67 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.417 0.448 . . . . 99.99 111.989 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . 0.502 ' HB3' HG12 ' E' ' 80' ' ' ILE . 10.2 m-20 -73.73 79.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.747 0.819 . . . . 99.99 111.033 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 78' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' E' ' 221' ' ' ARG . 65.1 m -79.57 -40.58 29.12 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.184 0.994 . . . . 99.99 110.817 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.17 -46.83 8.51 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.802 -1.09 . . . . 99.99 110.606 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.552 HG23 HG22 ' E' ' 81' ' ' THR . 56.4 mt 62.01 -89.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 124.561 1.144 . . . . 99.99 110.276 -175.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.552 HG22 HG23 ' E' ' 80' ' ' ILE . 11.8 t 168.65 163.51 0.04 OUTLIER 'General case' 0 C--O 1.245 0.859 0 C-N-CA 126.607 1.963 . . . . 99.99 107.965 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.85 73.73 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.11 -73.0 0.08 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.672 1.589 . . . . 99.99 112.998 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 52.9 mmt-85 72.93 161.85 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.387 1.475 . . . . 99.99 112.214 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -110.76 -173.18 2.18 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.21 -0.905 . . . . 99.99 110.46 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -132.96 141.7 48.47 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.355 -0.98 . . . . 99.99 108.355 171.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.57 121.3 3.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.155 0.582 . . . . 99.99 109.693 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.08 164.13 16.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.584 0.753 . . . . 99.99 110.633 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.45 -162.04 26.62 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.213 -0.903 . . . . 99.99 113.34 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.88 163.49 27.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.702 0.801 . . . . 99.99 111.025 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.41 72.48 0.07 OUTLIER Glycine 0 C--N 1.338 0.659 0 N-CA-C 110.839 -0.904 . . . . 99.99 110.839 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.45 -104.99 1.08 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 111.356 -0.698 . . . . 99.99 111.356 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -102.96 -64.46 1.07 Allowed 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -141.45 170.47 15.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.128 0.971 . . . . 99.99 110.085 170.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -150.12 134.76 17.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.032 0.933 . . . . 99.99 110.4 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.01 -40.92 0.46 Allowed Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.244 -0.434 . . . . 99.99 112.94 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.449 HG21 ' SD ' ' D' ' 94' ' ' MET . 32.0 mt -77.44 -99.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 C-N-CA 123.251 0.62 . . . . 99.99 110.448 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 t70 164.4 -78.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.227 1.011 . . . . 99.99 109.354 -158.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.65 141.17 11.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.872 1.269 . . . . 99.99 108.363 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' D' ' 54' ' ' ASP . 2.9 mp -125.95 51.61 6.02 Favored Pre-proline 0 N--CA 1.491 1.61 0 C-N-CA 123.407 0.683 . . . . 99.99 111.877 -170.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' E' ' 201' ' ' PRO . 6.1 Cg_exo -77.28 -6.43 16.45 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 121.892 1.728 . . . . 99.99 111.571 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt 77.45 139.92 0.07 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.525 1.53 . . . . 99.99 110.921 168.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 9.4 t -64.94 104.64 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.83 -0.804 . . . . 99.99 108.83 173.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.27 134.92 3.32 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.482 -0.647 . . . . 99.99 111.482 -173.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.86 -28.36 68.28 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.011 0.924 . . . . 99.99 111.369 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -131.52 11.86 4.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.614 1.166 . . . . 99.99 110.975 173.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.1 m 62.8 33.93 14.91 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 124.686 1.194 . . . . 99.99 111.869 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -72.45 97.16 2.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.445 0.64 . . . . 99.99 110.368 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -141.95 -58.99 0.47 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.402 0.681 . . . . 99.99 110.374 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.12 -60.48 0.14 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.675 -0.861 . . . . 99.99 108.675 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' D' ' 136' ' ' LEU . 2.5 tt -82.03 94.82 7.25 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.87 -1.53 . . . . 99.99 106.87 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . 0.439 ' O ' ' HA ' ' D' ' 45' ' ' ASP . 8.9 t30 -162.49 -49.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.222 -0.899 . . . . 99.99 108.726 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 pttt 173.64 156.19 0.12 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.006 1.722 . . . . 99.99 108.901 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.05 59.81 4.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.016 0.926 . . . . 99.99 109.506 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -64.15 90.12 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 121.375 0.607 . . . . 99.99 110.588 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.45 3.46 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 114.934 -1.03 . . . . 99.99 112.562 -174.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.53 73.25 0.64 Allowed Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 125.019 1.328 . . . . 99.99 111.232 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -92.61 89.69 0.19 Allowed 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 123.201 2.601 . . . . 99.99 109.144 169.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.92 78.64 0.89 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.617 0.767 . . . . 99.99 111.641 -166.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 50.4 p90 169.32 -34.71 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 126.889 2.075 . . . . 99.99 108.453 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.06 99.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 108.833 -0.802 . . . . 99.99 108.833 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p -138.19 -150.97 0.36 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.498 1.119 . . . . 99.99 109.483 -173.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.78 -7.62 8.34 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.661 1.584 . . . . 99.99 113.39 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 124' ' ' SER . . . . . 0.458 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 26.4 m -61.89 89.7 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.809 0.844 . . . . 99.99 111.353 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . 0.61 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . . . -165.92 176.7 7.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.375 1.07 . . . . 99.99 110.309 -177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.33 153.06 31.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.472 0.709 . . . . 99.99 110.195 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.0 m -154.7 145.41 22.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.523 0.729 . . . . 99.99 109.677 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -104.13 127.01 51.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.325 0.65 . . . . 99.95 110.776 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.3 t -79.72 116.31 19.83 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.163 0.585 . . . . 99.99 110.555 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -166.95 102.47 0.55 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.155 0.982 . . . . 99.99 108.754 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.422 ' HZ2' ' HB3' ' D' ' 32' ' ' PHE . 38.4 t90 -84.9 -91.93 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 109.915 -0.402 . . . . 99.99 109.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 33.6 p -179.25 -177.53 0.46 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.245 0.618 . . . . 99.99 111.712 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.445 HG22 HD13 ' E' ' 470' ' ' LEU . 15.1 t -160.59 -172.39 3.51 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.237 1.015 . . . . 99.99 109.328 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.83 26.74 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.262 -0.735 . . . . 99.66 111.262 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 13.3 m -109.53 176.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.27 0.628 . . . . 99.99 109.634 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -120.32 -164.65 1.11 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.382 0.673 . . . . 99.99 109.575 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.577 HG23 ' HG3' ' E' ' 464' ' ' MET . 34.5 m 79.93 127.24 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.532 1.533 . . . . 99.99 111.956 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 22.5 t80 65.49 86.04 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.747 1.619 . . . . 99.99 110.187 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.3 111.64 6.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.05 -0.977 . . . . 99.99 110.953 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . 0.481 ' H ' HG12 ' C' ' 13' ' ' ILE . . . 87.95 149.2 17.02 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 115.55 -0.75 . . . . 99.99 112.097 -174.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 79.36 118.62 0.06 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.499 1.52 . . . . 99.99 113.489 169.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . 0.569 ' HA ' HG13 ' C' ' 105' ' ' ILE . 10.9 mp 63.74 23.2 13.39 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.143 1.905 . . . . 99.99 116.143 163.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . 0.654 ' HA3' ' HD3' ' A' ' 130' ' ' PRO . . . -165.67 -143.76 3.84 Favored Glycine 0 N--CA 1.481 1.672 0 CA-C-N 119.574 1.079 . . . . 99.99 112.999 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' C' ' 15' ' ' ARG . 5.7 m -139.43 161.82 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.089 0.956 . . . . 99.99 110.34 175.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' E' ' 135' ' ' VAL . 25.4 t70 -147.68 119.48 8.1 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.157 0.583 . . . . 99.99 110.211 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 13.8 tt -87.21 102.3 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-O 121.782 0.801 . . . . 99.99 110.289 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.414 ' HE1' ' HG2' ' C' ' 14' ' ' GLN . 48.2 p-80 -136.01 136.95 40.72 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.22 113.13 24.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.976 0.511 . . . . 99.99 111.481 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -134.32 106.55 7.16 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 166.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.81 162.5 23.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.49 0.716 . . . . 99.99 110.843 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . 0.42 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 81.8 m-70 -126.78 -54.3 0.03 OUTLIER Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 118.72 -0.657 . . . . 99.99 111.695 -175.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 43.8 Cg_endo -91.02 -176.5 0.94 Allowed 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 121.865 1.71 . . . . 99.99 112.982 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 60.5 m -68.88 128.88 38.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.369 -0.832 . . . . 99.99 109.353 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.9 tt -54.76 -38.53 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.89 0.876 . . . . 99.99 112.404 -172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.414 HD13 ' N ' ' E' ' 156' ' ' GLU . 3.6 pp -86.02 -44.88 11.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.174 -0.467 . . . . 99.99 110.353 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . 0.414 ' N ' HD13 ' E' ' 155' ' ' LEU . 28.8 tt0 47.38 -84.31 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.336 1.455 . . . . 99.99 112.301 -171.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' E' ' 161' ' ' ALA . 3.2 ppp? -102.52 136.55 42.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.094 1.357 . . . . 99.99 110.132 -174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -123.86 -89.54 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.291 0.636 . . . . 99.99 109.339 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -81.23 -37.19 29.0 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 109.687 -0.486 . . . . 99.99 109.687 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.8 26.3 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.158 1.383 . . . . 99.99 112.24 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . 0.413 ' HA ' ' HE1' ' E' ' 157' ' ' MET . . . 74.6 -60.26 0.53 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.614 1.566 . . . . 99.99 111.945 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 122.98 -111.9 1.82 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.97 -1.252 . . . . 99.99 109.97 -176.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 tp 69.06 -69.31 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.28 1.432 . . . . 99.99 112.355 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . 0.611 ' HA ' ' HA ' ' E' ' 421' ' ' VAL . . . 65.59 -167.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.764 1.226 . . . . 99.99 110.491 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 165' ' ' THR . . . . . 0.427 ' H ' HG22 ' E' ' 421' ' ' VAL . 44.9 p -90.69 -33.4 15.8 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.266 -0.642 . . . . 99.99 109.266 168.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 73.54 -80.99 0.75 Allowed Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.056 -1.218 . . . . 99.99 110.056 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -114.64 -176.44 2.9 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 m 45.78 61.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 125.086 1.354 . . . . 99.99 112.717 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 5.1 p -59.96 110.92 1.3 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 114.596 -1.184 . . . . 99.99 110.538 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 14.8 t -79.09 30.38 0.21 Allowed 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 113.66 0.985 . . . . 99.99 113.66 -165.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -67.31 -48.64 67.01 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.422 0.689 . . . . 99.99 109.853 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 21.4 mm-40 -104.67 153.89 20.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.567 0.747 . . . . 99.99 110.647 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.01 -27.64 11.53 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.738 0.815 . . . . 99.99 110.23 173.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -117.91 92.9 3.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.326 1.051 . . . . 99.99 108.3 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 37.3 t70 -93.34 163.34 13.64 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.733 -0.667 . . . . 99.99 109.72 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . 0.43 ' HA ' ' CZ2' ' E' ' 242' ' ' TRP . . . 73.1 -174.28 0.15 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.132 1.373 . . . . 99.99 111.518 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 177' ' ' THR . . . . . 0.508 ' N ' ' HD3' ' E' ' 178' ' ' PRO . 9.0 m 65.82 47.86 0.57 Allowed Pre-proline 0 CA--C 1.589 2.447 0 C-N-CA 124.601 1.16 . . . . 99.99 111.821 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' E' ' 177' ' ' THR . 12.8 Cg_endo -108.04 169.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 123.521 2.814 . . . . 99.99 114.973 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -176.84 -79.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.308 1.043 . . . . 99.99 109.898 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 174.81 -33.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.27 1.428 . . . . 99.99 109.07 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 92.8 mt -90.99 172.01 8.87 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.969 0.907 . . . . 99.99 109.137 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.14 102.15 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-O 120.861 0.362 . . . . 99.99 110.321 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . 0.566 ' HB3' ' HD2' ' E' ' 189' ' ' LYS . . . 48.5 39.63 13.39 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.57 1.548 . . . . 99.99 113.244 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . 0.426 ' HB3' ' HB3' ' E' ' 187' ' ' SER . 18.0 t-160 65.16 17.51 11.07 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.017 0.927 . . . . 99.99 112.614 171.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 t 57.65 -77.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.9 1.68 . . . . 99.99 113.675 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 14.0 t -80.25 -10.0 59.74 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.47 1.108 . . . . 99.99 112.354 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 187' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' E' ' 184' ' ' HIS . 47.6 t -82.12 109.12 16.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.76 0.424 . . . . 99.99 110.987 -176.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 70.11 -62.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.687 1.595 . . . . 99.99 113.977 168.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.566 ' HD2' ' HB3' ' E' ' 183' ' ' ALA . 14.2 ptmm? -47.04 89.57 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.488 1.515 . . . . 99.99 113.424 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 32.4 t 76.76 -40.34 0.37 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.539 1.935 . . . . 99.99 112.572 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -67.07 -43.92 81.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 123.396 0.679 . . . . 99.99 110.255 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -61.24 121.54 26.65 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-O 118.753 -1.026 . . . . 99.99 112.183 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.18 -30.3 79.08 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.554 2.836 . . . . 99.99 113.245 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 18.9 m 63.58 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 99.99 111.227 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -86.96 -23.79 24.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.194 0.598 . . . . 99.99 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m 63.21 29.8 15.94 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.681 1.192 . . . . 99.99 110.158 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.9 t 66.54 109.31 0.04 OUTLIER 'General case' 0 C--N 1.359 0.995 0 C-N-CA 125.739 1.615 . . . . 99.99 110.841 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.7 -36.17 83.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.112 0.965 . . . . 99.99 111.739 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 68.56 -6.7 0.79 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.462 1.282 . . . . 99.99 114.462 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.96 84.72 0.2 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.538 1.135 . . . . 99.99 110.775 -171.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' E' ' 101' ' ' PRO . 4.4 Cg_exo -78.42 106.13 2.08 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.997 2.465 . . . . 99.99 112.242 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 163.86 153.82 7.51 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 110.685 -0.966 . . . . 99.99 110.685 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -87.94 -78.98 0.3 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.071 -1.085 . . . . 99.99 108.071 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 71.61 -53.28 0.69 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 126.12 1.768 . . . . 99.99 114.144 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 67.8 tp -60.15 93.21 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.126 1.37 . . . . 99.99 112.427 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.75 113.69 11.19 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.936 0.894 . . . . 99.99 109.218 168.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.27 -79.81 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.12 1.368 . . . . 99.99 111.497 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 110.75 94.99 2.29 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 112.2 -0.36 . . . . 99.99 112.2 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.12 9.91 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 109.528 -1.429 . . . . 99.99 109.528 171.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.73 29.42 19.0 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.954 0.883 . . . . 99.99 110.5 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -72.38 93.5 0.61 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.269 -0.878 . . . . 99.99 111.667 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 37.5 t 72.67 114.73 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.388 1.475 . . . . 99.99 111.51 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.86 93.05 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 124.049 0.94 . . . . 99.99 110.831 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 59.4 p -130.0 -57.87 1.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.767 0.827 . . . . 99.99 110.298 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.57 -13.06 62.08 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.097 0.959 . . . . 99.99 111.215 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -51.83 -28.08 14.63 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.239 1.015 . . . . 99.99 111.881 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 56.0 tp 70.91 122.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.361 1.465 . . . . 99.99 109.94 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 93.0 mt 65.35 139.99 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.574 1.15 . . . . 99.99 111.336 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.36 66.24 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.962 0.905 . . . . 99.99 110.521 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -73.16 173.49 9.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.643 -0.708 . . . . 99.99 111.153 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' E' ' 78' ' ' SER . 4.8 ppt_? -52.71 -42.91 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.255 1.022 . . . . 99.99 111.775 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -172.1 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.06 -48.81 0.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.51 1.524 . . . . 99.99 112.652 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.2 m -65.97 -158.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 C-N-CA 126.277 1.831 . . . . 99.99 112.906 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 25.2 m -33.72 105.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.686 1.994 . . . . 99.99 114.596 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 85.3 mt -85.53 -175.7 5.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 114.912 -1.04 . . . . 99.99 109.285 169.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -86.55 -158.66 32.01 Favored Glycine 0 C--N 1.347 1.193 0 C-N-CA 121.81 -0.234 . . . . 99.99 113.515 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -141.35 -68.86 0.03 OUTLIER Glycine 0 C--N 1.342 0.864 0 N-CA-C 111.266 -0.733 . . . . 99.99 111.266 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 78.65 -175.53 54.86 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.215 -0.492 . . . . 99.99 112.69 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.93 113.72 18.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.458 -0.942 . . . . 99.99 108.458 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -92.97 133.18 36.38 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.928 0.394 . . . . 99.99 110.565 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 19.1 p -135.14 -80.07 0.44 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.855 0.862 . . . . 99.99 108.788 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -149.81 -46.37 0.13 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.681 1.192 . . . . 99.99 108.291 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 72.83 1.26 3.95 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.459 1.504 . . . . 99.99 112.367 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -173.95 166.05 4.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.773 1.229 . . . . 99.99 108.123 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.8 m 65.67 67.25 0.49 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.616 1.166 . . . . 99.99 108.826 -171.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 68.24 -76.82 0.05 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.169 -1.378 . . . . 99.99 111.353 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 13.4 m 67.0 87.08 0.13 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.123 1.369 . . . . 99.99 109.516 -174.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 67.04 96.95 0.06 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.24 1.416 . . . . 99.99 111.698 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' E' ' 175' ' ' ASP . . . 172.53 170.39 36.26 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.253 -0.739 . . . . 99.99 111.253 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -150.7 57.48 0.92 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' E' ' 176' ' ' ALA . 5.5 m-90 46.08 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.724 1.21 . . . . 99.99 112.172 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' E' ' 242' ' ' TRP . 0.2 OUTLIER -143.17 -59.11 0.42 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.387 1.075 . . . . 99.99 109.821 -178.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 82.71 -129.0 8.79 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.967 -1.253 . . . . 99.99 109.967 -164.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 65.33 15.36 9.97 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 162.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 12.0 m -58.87 -41.12 86.34 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.152 0.981 . . . . 99.99 113.384 -167.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.62 -36.2 16.42 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.022 0.529 . . . . 99.99 111.319 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.497 HH12 HG13 ' E' ' 421' ' ' VAL . 20.1 ptt180 -77.58 -16.8 58.39 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.415 0.286 . . . . 99.99 111.696 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.91 -57.32 4.7 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.24 0.616 . . . . 99.99 110.251 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.98 -16.52 64.09 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.62 0.768 . . . . 99.99 112.937 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -59.72 -11.47 5.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.186 1.394 . . . . 99.99 114.519 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -45.27 -27.25 0.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.461 1.504 . . . . 99.99 114.667 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -73.41 -62.63 1.41 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.489 0.716 . . . . 99.99 112.016 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 56.26 -173.61 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.646 1.178 . . . . 99.99 111.757 -169.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -171.75 46.41 0.18 Allowed Glycine 0 C--N 1.346 1.093 0 O-C-N 121.973 -0.454 . . . . 99.99 112.595 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -123.26 -71.4 0.73 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.058 0.543 . . . . 99.99 109.987 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -117.47 92.02 3.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 82.1 mt -116.39 76.15 1.01 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' E' ' 263' ' ' ALA . 3.2 p -140.28 -58.88 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.959 -0.564 . . . . 99.99 111.378 -176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 34.2 p -71.88 81.5 0.9 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.522 0.729 . . . . 99.99 112.075 -171.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 30.4 t70 178.09 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.883 2.073 . . . . 99.99 106.682 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . 0.478 ' HA ' HE22 ' C' ' 50' ' ' GLN . . . -86.69 -46.0 10.46 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.805 0.842 . . . . 99.99 111.014 -177.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' E' ' 259' ' ' VAL . . . -72.2 -3.13 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.967 0.907 . . . . 99.99 112.436 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 28.0 m -54.4 -35.6 63.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.678 1.191 . . . . 99.99 112.004 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.21 -80.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.584 -0.735 . . . . 99.99 109.593 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -175.05 10.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.234 0.613 . . . . 99.99 110.575 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 51.1 p -80.45 156.12 26.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.353 0.661 . . . . 99.99 110.752 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . 0.521 HG22 ' HG3' ' E' ' 270' ' ' GLU . 35.2 m -98.49 -168.32 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.221 0.609 . . . . 99.99 109.983 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 18.3 m -60.74 -55.96 26.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.617 0.767 . . . . 99.99 111.315 -174.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . 0.521 ' HG3' HG22 ' E' ' 268' ' ' VAL . 53.8 mt-10 60.66 17.44 7.52 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.321 1.23 . . . . 99.99 114.321 173.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -63.1 -36.67 84.38 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.743 0.817 . . . . 99.99 113.191 -172.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -115.73 7.93 14.79 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.311 0.644 . . . . 99.99 111.101 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -81.54 173.01 12.8 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 122.007 -0.433 . . . . 99.99 111.348 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -63.9 -38.99 93.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.952 0.901 . . . . 99.99 110.29 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -111.29 127.82 26.3 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.728 -0.841 . . . . 99.99 108.728 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' E' ' 270' ' ' GLU . 12.1 Cg_exo -73.28 -27.42 13.55 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.511 2.141 . . . . 99.99 111.699 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.4 tt 171.84 -55.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 105.008 -2.219 . . . . 99.99 105.008 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.1 pp -139.28 159.32 42.43 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 113.545 -1.661 . . . . 99.99 108.257 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -171.54 51.25 0.18 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.589 -0.604 . . . . 99.99 111.589 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.583 ' HB3' HD23 ' C' ' 98' ' ' LEU . 69.0 tp -75.72 -40.29 55.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.024 0.529 . . . . 99.99 109.941 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.58 -12.09 30.14 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.7 0.8 . . . . 99.99 112.812 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -67.86 -16.73 64.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.561 0.744 . . . . 99.99 112.48 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -159.47 -43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.044 0.537 . . . . 99.99 110.653 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -66.43 86.23 0.11 Allowed Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.856 -0.611 . . . . 99.99 112.885 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -155.56 122.63 5.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.238 1.015 . . . . 99.99 109.031 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.463 ' N ' ' SD ' ' E' ' 286' ' ' MET . 0.3 OUTLIER -150.59 63.58 6.01 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.965 0.906 . . . . 99.99 109.37 -177.525 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -94.21 -89.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.229 2.62 . . . . 99.99 114.296 -169.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' C' ' 131' ' ' VAL . 48.1 t -128.3 133.74 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.338 0.655 . . . . 99.99 110.097 -168.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -116.54 177.77 4.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.566 1.146 . . . . 99.99 108.106 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 -86.82 145.08 26.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.233 0.47 . . . . 99.99 110.603 167.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 65.15 -128.94 34.38 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -85.6 178.44 4.4 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.354 2.702 . . . . 99.99 114.435 -172.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.805 ' HG3' HG22 ' C' ' 40' ' ' VAL . 11.6 mptt -88.33 81.06 7.34 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.23 -0.895 . . . . 99.99 110.137 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.42 3.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.858 0.463 . . . . 99.99 109.993 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.64 ' HG1' HD11 ' C' ' 126' ' ' LEU . 17.6 m -132.67 -76.07 0.5 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.507 0.723 . . . . 99.99 110.2 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.628 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.7 m-30 -86.26 92.31 8.74 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.456 0.702 . . . . 99.99 111.513 -170.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -101.7 9.73 40.73 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 115.046 -0.979 . . . . 99.99 109.745 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 96.2 -97.02 2.0 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.137 -0.785 . . . . 99.99 111.137 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.11 12.65 2.56 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.1 1.36 . . . . 99.99 114.094 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 25.6 mt -128.01 116.03 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.412 0.685 . . . . 99.99 109.315 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.77 -170.15 2.56 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -115.98 96.12 46.19 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 123.242 0.617 . . . . 99.99 110.097 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.645 ' HB3' HG22 ' E' ' 5' ' ' THR . 73.7 Cg_endo -88.34 54.12 2.2 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.206 2.604 . . . . 99.99 110.956 170.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -53.23 119.99 5.42 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.09 1.356 . . . . 99.99 113.329 -168.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 131' ' ' VAL . 35.6 m -103.34 146.42 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.816 0.847 . . . . 99.99 111.641 -176.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 58.6 p -112.39 157.4 21.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.465 1.106 . . . . 99.99 109.547 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.008 0.923 . . . . 99.99 110.586 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 66.5 p -122.67 113.93 30.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.0 0.92 . . . . 99.99 110.627 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.48 48.02 1.58 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.397 2.731 . . . . 99.99 111.778 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -45.54 114.63 2.41 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 125.114 1.365 . . . . 99.99 113.365 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -82.61 48.54 2.81 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.647 2.898 . . . . 99.99 112.211 175.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.419 ' HB3' HG21 ' B' ' 92' ' ' THR . 4.7 pm0 41.23 133.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 128.338 2.655 . . . . 99.99 116.302 -177.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -164.65 -66.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . 0.406 ' O ' HD22 ' B' ' 141' ' ' LEU . 2.5 m-20 75.49 -37.05 0.32 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.024 1.73 . . . . 99.99 114.008 170.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 28.0 t70 63.01 154.43 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.806 1.242 . . . . 99.99 111.153 -173.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 33.4 t -117.86 104.49 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.206 -0.934 . . . . 99.99 109.459 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.25 107.02 51.51 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 107.567 -1.272 . . . . 99.99 107.567 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.88 85.2 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.422 2.082 . . . . 99.99 111.737 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 17.9 p -85.82 -73.48 0.45 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.882 0.873 . . . . 99.99 109.733 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.744 HD13 ' HA ' ' E' ' 324' ' ' MET . 1.5 tm? -80.05 -18.76 49.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.718 -0.845 . . . . 99.99 108.718 171.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 69.8 97.13 0.06 Allowed 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.188 1.395 . . . . 99.99 109.912 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 74.48 -29.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.69 1.596 . . . . 99.99 113.767 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.744 ' HA ' HD13 ' E' ' 321' ' ' LEU . 39.5 ttm 59.17 42.32 18.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.605 1.162 . . . . 99.99 110.594 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 3.7 t -62.92 -44.9 94.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.135 -1.393 . . . . 99.99 110.746 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.36 78.42 7.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.644 -0.872 . . . . 99.99 108.644 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.534 ' HZ1' ' HB2' ' E' ' 327' ' ' LYS . 4.1 ttmp? -89.31 97.48 11.22 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.19 88.9 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.583 1.153 . . . . 99.99 112.75 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.65 -21.26 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.359 0.664 . . . . 99.99 112.251 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.498 ' HG3' ' HD3' ' E' ' 24' ' ' PRO . 0.6 OUTLIER -76.41 -60.14 2.47 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 177.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.07 -25.46 64.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 112.195 0.443 . . . . 99.99 112.195 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.18 -34.78 42.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.557 0.743 . . . . 99.99 110.823 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 42.4 t -81.9 -35.51 29.12 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.734 0.414 . . . . 99.99 110.847 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' E' ' 335' ' ' ASN . 1.5 tmtp? -155.66 150.4 26.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.975 -1.491 . . . . 99.99 106.975 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' E' ' 334' ' ' LYS . 57.9 m-80 92.92 82.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 126.517 1.927 . . . . 99.99 109.884 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 74.62 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.273 1.429 . . . . 99.99 112.955 168.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.99 -31.04 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.889 0.876 . . . . 99.99 111.356 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -143.23 146.36 17.04 Favored Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.564 -0.576 . . . . 99.99 111.879 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 18.8 t80 53.08 71.4 0.49 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.281 1.432 . . . . 99.99 111.412 171.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -93.73 122.14 35.89 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.504 -0.771 . . . . 99.99 110.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 69.83 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.545 1.538 . . . . 99.99 109.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.97 179.45 7.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.066 0.547 . . . . 99.99 111.058 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.6 135.5 24.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 114.579 -1.192 . . . . 99.99 108.82 167.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -105.28 160.84 14.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.03 0.932 . . . . 99.99 109.44 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -72.11 0.61 Allowed Glycine 0 C--N 1.355 1.618 0 O-C-N 123.704 0.628 . . . . 99.99 113.249 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.78 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.011 1.324 . . . . 99.99 112.494 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 39.3 m -84.62 42.17 0.89 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.116 0.966 . . . . 99.99 112.018 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 37.6 pt -112.65 161.84 11.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 C-N-CA 124.662 1.185 . . . . 99.99 110.968 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -54.6 154.15 5.14 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.863 1.265 . . . . 99.99 111.889 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' E' ' 350' ' ' LYS . 0.6 OUTLIER 80.16 -40.31 0.19 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.165 1.786 . . . . 99.99 111.685 -176.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.74 -31.88 67.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 110.03 -0.359 . . . . 99.99 110.03 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.73 -78.2 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.77 1.228 . . . . 99.99 113.692 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -74.38 -24.4 59.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.526 0.731 . . . . 99.99 110.91 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.25 66.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.011 0.525 . . . . 99.99 110.55 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.63 -45.7 13.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.822 0.849 . . . . 99.99 109.472 170.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . 0.496 ' HB2' ' HD3' ' E' ' 357' ' ' PRO 0.279 54.1 m-80 97.65 -68.07 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 C-N-CA 128.758 2.823 . . . . 99.99 112.324 -175.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' E' ' 356' ' ' ASN . 18.0 Cg_exo -69.15 -5.06 14.9 Favored 'Trans proline' 0 C--N 1.399 3.213 0 CA-C-N 122.575 1.955 . . . . 99.99 113.68 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.5 m 79.44 -48.02 0.38 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.446 1.498 . . . . 99.99 112.963 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 -72.85 2.56 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.213 -0.755 . . . . 99.99 111.213 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -76.27 88.08 3.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.03 0.932 . . . . 99.99 109.657 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.68 -56.61 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.562 0.745 . . . . 99.99 109.167 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 175.67 101.02 0.14 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.673 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . 0.529 ' HG3' HG22 ' E' ' 364' ' ' THR . 11.2 tp10 -81.04 137.89 36.02 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.707 0.803 . . . . 99.99 109.967 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 364' ' ' THR . . . . . 0.529 HG22 ' HG3' ' E' ' 363' ' ' GLU . 50.0 p 61.02 169.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.597 1.959 . . . . 99.99 114.252 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.5 148.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.3 1.04 . . . . 99.99 109.306 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.02 92.81 6.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.244 0.545 . . . . 99.99 109.792 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 38.2 tp -80.44 -13.68 58.93 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.139 0.976 . . . . 99.99 110.447 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -39.55 63.11 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.657 1.183 . . . . 99.99 111.512 176.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.57 -46.22 84.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.285 1.034 . . . . 99.99 111.351 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.67 90.38 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.402 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.69 -48.27 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 123.802 0.689 . . . . 99.99 109.963 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.81 1.244 . . . . 99.99 111.851 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -59.95 4.26 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.48 61.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.327 -1.306 . . . . 99.99 112.506 -172.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.78 -24.3 67.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.16 0.984 . . . . 99.99 111.755 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.11 -48.3 79.16 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.455 0.702 . . . . 99.99 110.24 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -75.3 -28.33 59.66 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.346 -0.843 . . . . 99.99 111.23 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.89 -16.5 64.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.584 0.754 . . . . 99.99 112.435 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . 0.427 ' HE2' ' HG3' ' E' ' 406' ' ' PRO . 9.9 mtmp? -70.63 -42.85 70.33 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.665 -0.494 . . . . 99.99 109.665 172.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 61.93 14.5 6.43 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.123 1.369 . . . . 99.99 110.886 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -88.19 133.1 34.11 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.796 1.238 . . . . 99.99 108.923 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -163.31 71.82 0.2 Allowed Glycine 0 C--O 1.241 0.548 0 N-CA-C 110.29 -1.124 . . . . 99.99 110.29 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -69.56 86.99 0.47 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.769 0.795 . . . . 99.99 110.099 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.8 p -112.64 11.75 19.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.664 1.186 . . . . 99.99 109.807 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.85 -59.47 2.91 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.346 0.658 . . . . 99.99 109.432 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.78 113.26 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.245 -0.889 . . . . 99.99 108.855 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 46.9 mm -113.96 100.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.04 113.01 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.115 -0.698 . . . . 99.99 109.115 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 7.4 t -87.71 114.41 24.3 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 167.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -123.19 92.0 3.6 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.594 0.757 . . . . 99.99 109.799 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.75 159.96 23.73 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 171.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 68.6 m80 79.07 -47.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.865 1.666 . . . . 99.99 110.629 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -66.6 84.59 0.11 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.891 0.476 . . . . 99.99 110.926 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -85.44 -41.02 15.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.454 0.701 . . . . 99.99 110.388 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -128.61 -15.49 4.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.604 1.162 . . . . 99.99 109.349 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.6 m -77.37 88.74 3.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.482 1.113 . . . . 99.99 110.788 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.35 168.79 19.32 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.762 -0.459 . . . . 99.99 109.762 174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.8 90.64 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 109.153 -0.684 . . . . 99.99 109.153 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 54.6 t 63.34 -76.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.818 1.647 . . . . 99.99 111.584 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -97.64 121.78 57.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.874 0.87 . . . . 99.99 110.011 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.31 126.24 8.31 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.726 2.284 . . . . 99.99 112.057 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -111.21 131.47 55.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 17.8 p -150.82 95.77 2.25 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.029 0.932 . . . . 99.99 110.499 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -100.51 -79.02 0.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 165.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 64.29 174.38 0.06 OUTLIER Pre-proline 0 N--CA 1.488 1.458 0 C-N-CA 124.143 0.977 . . . . 99.99 112.329 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . 0.427 ' HG3' ' HE2' ' E' ' 379' ' ' LYS . 89.0 Cg_exo -50.52 109.34 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.098 1.866 . . . . 99.99 111.075 159.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -78.62 -119.45 0.25 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.484 0.49 . . . . 99.99 113.7 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.93 -15.77 43.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.332 0.653 . . . . 99.99 111.404 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 409' ' ' THR . . . . . 0.563 HG22 ' H ' ' E' ' 410' ' ' GLN . 2.8 m 59.96 -146.93 0.47 Allowed 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 124.302 1.041 . . . . 99.99 110.094 177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . 0.563 ' H ' HG22 ' E' ' 409' ' ' THR . 38.7 mt-30 65.03 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.847 1.259 . . . . 99.99 111.366 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -164.87 174.12 10.94 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.977 1.311 . . . . 99.99 108.846 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 9.9 mp 72.49 -61.17 0.51 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.117 1.367 . . . . 99.99 111.211 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . 0.262 6.1 p30 56.67 -74.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.07 2.148 . . . . 99.99 113.157 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.9 p -124.77 -32.25 3.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.619 0.767 . . . . 99.99 110.887 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -95.69 130.25 42.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.06 0.944 . . . . 99.99 110.177 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.42 -43.81 5.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.428 0.691 . . . . 99.99 110.825 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -161.57 111.81 0.49 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.71 -0.556 . . . . 99.99 111.71 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.61 -4.97 58.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.935 0.894 . . . . 99.99 112.317 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.78 -55.5 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.134 0.574 . . . . 99.99 110.161 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.3 tpp 52.78 46.89 25.85 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 124.442 1.088 . . . . 99.99 110.151 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . 0.611 ' HA ' ' HA ' ' E' ' 164' ' ' ALA . 57.6 t 77.57 -38.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 125.677 1.591 . . . . 99.99 112.647 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 22.2 ttt 61.12 28.69 18.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.598 1.159 . . . . 99.99 110.731 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 19.4 m 63.57 18.89 11.4 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.87 1.268 . . . . 99.99 112.768 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -67.79 121.26 15.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.565 -0.531 . . . . 99.99 109.565 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -133.63 160.97 24.2 Favored Glycine 0 C--N 1.341 0.814 0 CA-C-O 119.524 -0.598 . . . . 99.99 112.255 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 76.51 -47.54 0.54 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.855 1.662 . . . . 99.99 111.53 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 23.0 m -49.91 -34.77 21.39 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 125.959 1.704 . . . . 99.99 113.638 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.61 -12.97 9.68 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.886 0.874 . . . . 99.99 111.465 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -90.08 -21.71 22.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.721 1.208 . . . . 99.99 112.316 -168.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' E' ' 434' ' ' HIS . 13.0 p-10 -62.85 -39.96 95.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.864 0.466 . . . . 99.99 112.003 -172.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 431' ' ' SER . . . . . 0.566 ' HB2' ' HB3' ' D' ' 26' ' ' PRO . 24.0 t -89.46 -16.82 29.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.467 0.707 . . . . 99.99 111.623 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.87 -65.6 0.99 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.256 -0.646 . . . . 99.99 109.256 -175.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -121.02 -98.78 0.44 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.795 0.838 . . . . 99.99 109.241 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' E' ' 430' ' ' ASP . 13.3 t-160 65.07 15.26 9.89 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 123.981 0.913 . . . . 99.99 111.402 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 4.2 m 56.13 21.75 5.44 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.821 1.248 . . . . 99.99 110.695 -168.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 86.42 -104.58 2.92 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.886 -169.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 10.1 t 59.71 35.95 22.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.325 1.45 . . . . 99.99 111.365 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.08 94.07 5.26 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.374 -0.83 . . . . 99.99 110.484 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . 0.513 HD12 ' H ' ' E' ' 440' ' ' ARG 0.263 1.6 pp 44.08 -77.35 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 126.823 2.049 . . . . 99.99 114.307 178.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.513 ' H ' HD12 ' E' ' 439' ' ' LEU . 26.0 tpt180 -171.0 110.31 0.33 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.324 1.05 . . . . 99.99 108.579 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.43 -60.49 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.618 0.767 . . . . 99.99 109.182 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -99.16 91.65 5.09 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.401 0.68 . . . . 99.99 110.416 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -113.52 -57.11 2.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.671 0.788 . . . . 99.99 109.381 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 50.13 73.14 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.375 1.47 . . . . 99.99 111.862 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -71.72 149.44 44.9 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 115.117 -0.947 . . . . 99.99 112.551 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 132.34 35.83 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.631 2.22 . . . . 99.99 111.254 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -69.1 -51.3 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.74 0.816 . . . . 99.99 111.552 -171.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 62.78 168.55 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.95 1.3 . . . . 99.99 113.977 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.79 141.64 5.07 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.205 1.002 . . . . 99.99 109.715 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . 0.452 ' HB3' HD12 ' C' ' 136' ' ' LEU . 27.7 t-20 -159.49 159.47 33.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.629 0.772 . . . . 99.99 109.585 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.48 97.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.689 0.796 . . . . 99.99 110.484 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 11' ' ' PHE . 13.1 p 48.53 -67.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 C-N-CA 128.171 2.588 . . . . 99.99 117.334 167.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . 0.831 ' HA3' ' HA ' ' C' ' 136' ' ' LEU . . . 79.94 84.43 0.65 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.785 -0.526 . . . . 99.99 111.785 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.668 HD23 ' SG ' ' A' ' 97' ' ' CYS . 3.7 pp -144.03 131.76 21.31 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 109.412 -0.588 . . . . 99.99 109.412 173.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t 178.89 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.548 1.539 . . . . 99.99 108.785 171.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.91 -51.24 42.13 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.891 1.276 . . . . 99.99 111.26 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 96' ' ' HIS . 98.3 mt-30 67.78 119.87 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.319 1.448 . . . . 99.99 111.118 -172.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.1 m -68.07 99.51 0.88 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.267 -1.383 . . . . 99.99 107.267 164.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.88 -88.0 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.619 1.168 . . . . 99.99 113.194 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.467 ' HB3' ' H ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER 46.05 44.35 11.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.842 1.257 . . . . 99.99 111.009 -177.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -63.19 81.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.982 0.913 . . . . 99.99 111.451 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 5.6 t80 58.96 27.94 16.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.246 1.418 . . . . 99.99 112.349 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.0 p -94.91 -7.37 40.24 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.209 0.818 . . . . 99.99 113.209 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.577 ' HG3' HG23 ' E' ' 137' ' ' THR . 25.2 ttt -68.55 106.79 2.69 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 173.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.52 -74.23 0.22 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.502 0.721 . . . . 99.99 110.878 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -79.84 163.27 24.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.598 0.759 . . . . 99.99 111.45 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . . . -79.85 81.91 6.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.277 174.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.584 HD21 HD23 ' A' ' 42' ' ' LEU . 95.6 mt 67.51 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.888 1.275 . . . . 99.99 111.449 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 107.07 113.19 3.75 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.888 -1.285 . . . . 99.99 109.888 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.664 HD23 ' HD2' ' A' ' 38' ' ' PRO . 6.1 tt -139.12 129.0 24.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 -174.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 176.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.636 -0.505 . . . . 99.99 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -78.89 -92.95 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.13 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 46.08 47.99 12.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.797 1.239 . . . . 99.99 112.147 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.58 97.47 0.05 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.792 -1.549 . . . . 99.99 111.162 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -149.96 -153.93 0.52 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.822 -1.177 . . . . 99.99 107.822 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 66.92 96.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.372 1.069 . . . . 99.99 109.311 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p 56.46 -104.82 0.24 Allowed 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 125.733 1.613 . . . . 99.99 110.972 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 166.99 -43.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.893 1.677 . . . . 99.99 107.644 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptm -78.19 132.53 37.63 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 113.845 -1.525 . . . . 99.99 110.707 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.836 ' HB ' ' HA ' ' E' ' 447' ' ' HIS . 87.9 m -172.35 145.33 1.66 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.078 1.351 . . . . 99.99 108.821 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -92.72 135.25 34.27 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -147.68 138.98 23.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.79 0.436 . . . . 99.99 110.833 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG23 HG13 ' A' ' 16' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD3' HD13 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 99.99 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 HG23 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 34.4 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.497 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 17.02 109.416 174.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 50.99 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 18.45 106.668 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 13.15 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 6.92 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 22.19 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 43.73 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HA ' ' HZ ' ' A' ' 123' ' ' PHE . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HD2' ' HG ' ' E' ' 470' ' ' LEU . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 63.88 113.608 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 73.6 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' E' ' 465' ' ' LYS . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 99.99 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.723 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.816 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 ' H ' HD22 ' E' ' 460' ' ' LEU . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 50.91 109.708 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 67.81 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 99.99 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 81.17 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.23 109.918 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG12 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 75.11 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 32.98 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD22 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 27.21 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.816 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 28.74 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.723 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 35.81 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 19.33 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 29.68 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 25.47 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 80.58 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 99.99 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 40.21 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 30.66 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 59.79 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 30.86 108.455 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.679 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 20.96 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 21.28 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.497 HG13 ' HE1' ' A' ' 17' ' ' TYR . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 80.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p -91.45 122.23 33.86 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.19 131.79 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.083 0.953 . . . . 99.99 109.722 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 140.23 8.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.625 0.77 . . . . 99.99 110.461 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' H ' HG11 ' E' ' 451' ' ' VAL . . . 97.37 -31.36 7.84 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 114.781 0.672 . . . . 99.99 114.781 176.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.466 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -115.99 144.8 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.222 0.609 . . . . 99.99 110.717 -176.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 -175.65 4.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.112 0.965 . . . . 99.99 109.262 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.06 -152.64 47.35 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 123.315 0.385 . . . . 99.99 113.115 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -25.79 67.44 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.154 1.382 . . . . 99.99 111.543 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.457 ' HA ' HD13 ' A' ' 141' ' ' LEU . 57.3 tt0 -62.63 -49.59 74.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.713 0.805 . . . . 99.99 110.131 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -76.62 -29.98 56.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.92 -1.037 . . . . 99.99 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -31.82 72.31 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.053 0.541 . . . . 99.99 110.641 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -74.09 -43.22 58.44 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.638 0.775 . . . . 99.99 109.864 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.3 t -64.56 -30.44 71.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.358 0.663 . . . . 99.99 112.456 -173.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.623 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt -101.64 -34.25 9.57 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.076 0.55 . . . . 99.99 111.225 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 99.99 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 99.99 111.813 -175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 79.06 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HD3' HG12 ' A' ' 58' ' ' VAL . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 59.39 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 99.99 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.426 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 83.34 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 42.55 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 17.98 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 13.2 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 36.0 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 15.85 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.554 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 19.0 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 5.43 111.322 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.602 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 18.83 109.863 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 22.63 111.882 -175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 6.65 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.602 ' HE1' ' HA ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 88.83 112.733 -173.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 51.92 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 39.96 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 11.33 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 32.89 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' HZ ' ' HA ' ' A' ' 28' ' ' ALA . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 19.39 109.09 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 30.18 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.443 ' HB3' ' CB ' ' E' ' 132' ' ' SER . 35.6 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 90.79 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 93.81 113.009 -164.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 77.99 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.554 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 85.02 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t -115.1 132.23 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -88.0 65.81 8.38 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 122.204 1.002 . . . . 99.99 109.134 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -82.15 -24.74 34.88 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.716 -1.129 . . . . 99.99 110.488 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.01 -43.34 95.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.124 0.97 . . . . 99.99 110.943 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.62 74.34 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.612 0.597 . . . . 99.99 112.612 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.71 -38.38 90.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.272 0.629 . . . . 99.99 109.416 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.63 -19.61 37.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.361 0.664 . . . . 99.99 111.112 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.52 ' HG3' ' HA3' ' E' ' 143' ' ' GLY . 1.3 tmt? -67.37 -29.05 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.406 0.682 . . . . 99.99 111.543 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -58.11 -29.73 65.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.355 0.598 . . . . 99.99 111.217 173.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -91.88 -30.77 15.98 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.395 1.078 . . . . 99.99 111.773 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 93' ' ' GLN . 23.8 tp -44.38 -52.22 7.91 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.086 1.354 . . . . 99.99 114.041 -173.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -174.38 31.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.448 0.642 . . . . 99.99 111.424 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 64.47 6.42 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -142.24 99.67 3.56 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.814 . . . . 99.99 110.921 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 56.26 -161.8 0.18 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.845 1.258 . . . . 99.99 112.947 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -72.27 87.49 0.5 Allowed Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.658 -0.577 . . . . 99.99 111.658 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.14 152.67 7.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.764 1.226 . . . . 99.99 112.77 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.72 43.76 1.25 Allowed Glycine 0 N--CA 1.469 0.882 0 CA-C-N 115.717 -0.674 . . . . 99.99 111.512 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -104.14 -6.81 20.68 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.543 0.737 . . . . 99.99 111.247 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -111.19 0.07 Allowed 'General case' 0 CA--C 1.557 1.25 0 CA-C-O 117.684 -1.151 . . . . 99.99 109.805 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 68.34 -63.15 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.815 1.646 . . . . 99.99 111.757 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -56.33 91.41 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.357 1.463 . . . . 99.99 110.491 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.94 -58.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.74 -1.948 . . . . 99.99 105.74 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.53 -39.76 14.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.27 -1.332 . . . . 99.99 108.25 168.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.85 -1.068 . . . . 99.99 109.249 171.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.076 -0.342 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -147.51 177.47 9.23 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.838 0.855 . . . . 99.99 108.825 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -84.26 -96.25 0.06 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 109.611 -0.514 . . . . 99.99 109.611 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 167.62 -49.66 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.635 1.574 . . . . 99.99 107.144 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -166.34 -67.13 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 114.287 -1.324 . . . . 99.99 108.847 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.29 -75.56 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.631 1.573 . . . . 99.99 113.105 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -92.61 -172.73 3.14 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.169 0.988 . . . . 99.99 110.596 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -71.36 88.36 0.87 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.682 -0.859 . . . . 99.99 108.682 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.614 ' HG3' HG22 ' B' ' 89' ' ' ILE . 1.4 tmt? 66.44 170.8 0.24 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.068 1.347 . . . . 99.99 111.459 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.428 ' N ' ' SD ' ' B' ' 9' ' ' MET . 9.0 t -148.27 127.34 12.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.491 0.717 . . . . 99.99 110.04 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.445 ' HB2' ' HE3' ' B' ' 9' ' ' MET . 73.8 t80 -152.19 147.84 26.9 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.335 0.654 . . . . 99.99 110.891 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 14.3 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 61.13 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 99.99 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 99.99 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 22.84 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 25.35 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 18.25 110.122 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 41.37 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.565 HD13 ' SG ' ' B' ' 113' ' ' CYS . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 15.07 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 29.37 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 11.41 107.242 167.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.511 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 27.88 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 86.9 m-20 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 51.27 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.426 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 99.99 111.276 -174.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 99.89 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 99.99 110.86 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.633 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.707 HD23 ' HB3' ' E' ' 11' ' ' LEU . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 99.99 109.247 172.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 89.58 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 50.34 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 99.99 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 44.59 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 98.19 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 93.17 110.481 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 98.7 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.48 ' HB2' HD13 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 85.08 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 32.75 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 89.85 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.738 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 99.99 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 30.69 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 50.25 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.408 HG22 HD12 ' B' ' 114' ' ' ILE . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 27.1 109.207 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 27.69 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 28.91 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 82.69 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 84.99 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 91.81 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.569 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 39.53 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.483 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 37.29 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 21.12 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 29.86 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 13.61 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 13.23 110.229 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.738 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 36.68 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.553 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 12.8 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.416 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 51.05 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 99.99 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 99.23 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 99.99 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.614 HG22 ' HG3' ' B' ' 9' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.61 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.613 ' NE2' ' HB2' ' B' ' 134' ' ' ASP . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.798 ' HB2' HG13 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 99.37 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 67.76 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 81.59 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.416 ' SG ' ' CE1' ' B' ' 11' ' ' PHE . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 55.65 111.855 -175.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 48.03 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 99.99 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 59.06 109.505 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 27.15 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 18.14 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 25.24 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 18.19 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 76.84 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' B' ' 21' ' ' ILE . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 28.75 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.554 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 30.1 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 17.12 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.81 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 50.71 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 23.64 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 49.99 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 33.79 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 28.26 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 39.05 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.652 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 99.99 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 99.99 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.488 ' H ' HD11 ' E' ' 6' ' ' ILE . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 64.44 110.082 175.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.538 ' HG3' ' HB ' ' E' ' 306' ' ' VAL . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 75.43 111.078 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.99 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' E' ' 64' ' ' ALA . 53.7 t30 -94.2 103.48 15.51 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' B' ' 44' ' ' LEU . 60.4 m-85 -70.51 -1.88 12.3 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.137 1.375 . . . . 99.99 113.835 -170.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.613 ' HB2' ' NE2' ' B' ' 96' ' ' HIS . 0.6 OUTLIER -48.92 -34.88 13.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.541 1.536 . . . . 99.99 113.201 -173.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.59 54.79 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.661 1.184 . . . . 99.99 113.584 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.89 -53.55 48.74 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.349 0.595 . . . . 99.99 110.247 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.74 -19.69 48.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.655 -1.157 . . . . 99.99 111.473 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.81 -36.99 62.45 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.716 0.806 . . . . 99.99 109.623 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -87.48 -3.47 59.0 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.533 -0.758 . . . . 99.99 111.139 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -89.6 -29.58 18.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.471 0.308 . . . . 99.99 110.266 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 3.6 pp -91.62 38.43 0.98 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.6 0.714 . . . . 99.99 109.494 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -44.52 -27.8 0.5 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.561 1.945 . . . . 99.99 114.585 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . 0.435 HE22 ' HA3' ' B' ' 146' ' ' GLY . 1.0 OUTLIER -52.85 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.036 0.934 . . . . 99.99 111.964 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 59.0 -89.58 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.643 1.577 . . . . 99.99 111.813 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.7 52.92 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.964 0.506 . . . . 99.99 110.312 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . 0.435 ' HA3' HE22 ' B' ' 143' ' ' GLN . . . -78.32 68.15 2.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.703 -0.681 . . . . 99.99 112.499 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -175.4 -38.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.554 1.142 . . . . 99.99 109.907 -172.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -70.23 78.72 0.42 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 115.523 -0.762 . . . . 99.99 112.908 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 33.2 m 66.15 -73.69 0.07 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.906 1.683 . . . . 99.99 111.265 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 75.33 -24.52 0.22 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.305 1.442 . . . . 99.99 112.965 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.1 -43.18 91.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.123 1.369 . . . . 99.99 111.769 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -109.16 77.29 1.05 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.129 -0.941 . . . . 99.99 109.744 -169.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -73.3 -20.46 60.8 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.474 0.71 . . . . 99.99 112.32 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.89 -30.26 70.37 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.974 0.51 . . . . 99.99 110.865 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.2 0 O-C-N 124.587 1.18 . . . . 99.99 110.251 -175.456 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptm . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 121.404 0.621 . . . . 99.99 110.773 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -72.41 -34.25 67.74 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.094 -0.706 . . . . 99.99 109.094 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.427 ' HG2' ' HG3' ' E' ' 156' ' ' GLU . 14.8 tp10 -107.91 -76.81 0.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.981 0.913 . . . . 99.99 109.572 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . 0.651 ' HG2' ' SD ' ' E' ' 157' ' ' MET . 26.1 tp60 -172.6 -42.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.314 0.645 . . . . 99.99 111.019 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 25.7 t-20 77.86 101.99 0.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.65 1.58 . . . . 99.99 111.071 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -148.77 -14.39 0.32 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.107 1.763 . . . . 99.99 108.964 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p 55.72 76.09 0.29 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.799 2.04 . . . . 99.99 112.583 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 61.94 177.69 0.13 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.372 1.469 . . . . 99.99 113.043 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ttt 63.0 114.55 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.74 1.216 . . . . 99.99 110.854 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' C' ' 87' ' ' ALA . 24.7 m -85.69 76.02 10.02 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.279 -1.008 . . . . 99.99 108.279 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -111.11 119.95 40.7 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.257 -1.338 . . . . 99.99 108.082 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.56 HG23 ' HZ1' ' E' ' 136' ' ' LYS . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 82.71 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 99.99 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.437 HH11 ' HZ2' ' E' ' 131' ' ' TRP . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 17.72 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.555 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 9.52 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.47 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 51.3 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 13.13 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 15.89 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 10.19 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 26.52 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 43.6 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.671 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 57.64 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.465 ' HA ' ' HZ2' ' C' ' 34' ' ' LYS . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 78.76 113.413 -172.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.409 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 99.99 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.416 ' HZ3' ' HA2' ' E' ' 299' ' ' GLY . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 72.29 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 99.99 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 99.99 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.609 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 99.99 109.796 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' E' ' 281' ' ' PHE . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 90.89 111.136 -172.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 55.92 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 78.18 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 57.25 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 99.99 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' E' ' 271' ' ' ALA . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 97.58 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.592 ' HB2' HD12 ' C' ' 51' ' ' LEU . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.438 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 43.88 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 30.1 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 99.67 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 31.81 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.609 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.79 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.565 HG21 HG23 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 29.1 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 36.6 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 38.08 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 65.72 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 99.99 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 83.21 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 40.89 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.731 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 38.89 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 66.65 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 32.91 106.633 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 14.84 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.78 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 26.52 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' C' ' 106' ' ' LEU . 8.3 tp-100 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 12.17 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.555 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 39.17 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.517 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' E' ' 277' ' ' LEU . 19.2 mt -115.67 128.0 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' C' ' 10' ' ' THR . . . -152.97 158.53 42.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.779 0.831 . . . . 99.99 109.665 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.53 -30.91 5.98 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.172 -0.467 . . . . 99.99 112.0 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mm 73.73 89.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.454 1.502 . . . . 99.99 109.895 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 12.8 mp0 -97.6 -14.77 20.81 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.011 0.924 . . . . 99.99 110.394 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.9 -113.41 4.54 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.532 0.52 . . . . 99.99 112.899 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -60.06 -32.75 71.22 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.832 0.853 . . . . 99.99 111.778 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.538 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 0.0 OUTLIER -73.03 -45.2 58.99 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.447 -0.797 . . . . 99.99 109.25 179.181 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' C' ' 90' ' ' GLU . 9.2 tmm? -56.27 -46.37 79.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.585 1.154 . . . . 99.99 111.333 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' E' ' 280' ' ' LEU . . . -65.59 -38.67 90.17 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.161 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -75.98 -27.11 57.35 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 120.731 0.301 . . . . 99.99 110.914 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.46 -43.71 93.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.574 0.75 . . . . 99.99 109.707 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 81.7 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 68.22 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 85.73 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 52.77 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 18.22 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 62.78 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 20.21 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 17.97 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 10.09 110.941 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 18.56 110.489 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 31.03 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.45 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 26.09 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.565 HG23 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 21.24 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' THR . . . . . 0.691 HG23 HE21 ' C' ' 125' ' ' GLN . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 14.3 112.0 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 10.17 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.546 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 12.08 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.406 HG21 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 54.79 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 23.93 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.423 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.51 HG21 ' HB3' ' D' ' 17' ' ' TYR . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 27.3 113.164 175.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 36.76 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.527 ' HG2' ' H ' ' E' ' 298' ' ' HIS . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 44.0 111.911 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.691 HE21 HG23 ' C' ' 115' ' ' THR . 12.7 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' E' ' 296' ' ' THR . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 92.07 107.702 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . 0.595 HD21 HG21 ' C' ' 115' ' ' THR . 0.1 OUTLIER -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 43.42 106.909 -176.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 64.09 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 45.54 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 40.22 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 98.11 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.99 -32.44 69.28 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.76 -19.9 64.44 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.659 1.184 . . . . 99.99 112.064 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' C' ' 139' ' ' ASN . . . -54.33 -24.6 19.95 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.974 0.91 . . . . 99.99 112.836 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 mt -81.42 -42.28 20.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.12 0.968 . . . . 99.99 112.154 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -82.97 -57.39 3.31 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 119.326 -0.369 . . . . 99.99 110.765 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -28.45 41.34 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.469 1.108 . . . . 99.99 111.27 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' C' ' 135' ' ' ALA . 48.0 t30 -30.42 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.337 2.255 . . . . 99.99 114.655 164.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -152.68 0.01 OUTLIER 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.952 1.301 . . . . 99.99 111.929 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 tp 69.54 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.079 0.952 . . . . 99.99 113.175 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -73.25 127.99 34.22 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.836 0.854 . . . . 99.99 110.015 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . 0.729 ' HG2' ' H ' ' E' ' 141' ' ' ALA . 0.0 OUTLIER -171.3 10.18 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.148 0.979 . . . . 99.99 112.779 -173.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -62.42 -45.84 91.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 118.509 0.595 . . . . 99.99 111.865 -170.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 178.97 -75.69 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.34 1.456 . . . . 99.99 108.109 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.02 -70.51 0.99 Allowed Glycine 0 C--N 1.363 2.059 0 C-N-CA 123.925 0.774 . . . . 99.99 114.127 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 71.37 -80.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.994 1.717 . . . . 99.99 111.227 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 62.78 33.35 86.64 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 111.27 -0.732 . . . . 99.99 111.27 -170.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.2 m 68.56 89.94 0.1 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.51 1.524 . . . . 99.99 109.658 -165.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -155.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.296 0.638 . . . . 99.99 110.091 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' C' ' 5' ' ' ASN . 5.4 tp10 -42.99 -77.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.715 1.606 . . . . 99.99 112.1 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 14.9 m80 165.62 -24.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 126.789 2.036 . . . . 99.99 107.914 -165.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 69.54 -67.49 0.22 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.521 1.528 . . . . 99.99 110.85 -169.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.04 -81.81 0.05 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.355 1.062 . . . . 99.99 111.422 -175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 123.472 0.709 . . . . 99.99 109.809 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.47 0.176 . . . . 99.99 110.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -174.35 -41.02 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.422 1.089 . . . . 99.99 109.268 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.463 ' HB3' ' NH1' ' E' ' 84' ' ' ARG . 37.0 tt0 56.99 98.87 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.383 1.873 . . . . 99.99 112.097 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -162.6 139.15 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.214 0.606 . . . . 99.99 109.726 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -51.24 -43.56 61.52 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.127 0.971 . . . . 99.99 111.313 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.35 -28.06 68.95 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.012 1.325 . . . . 99.99 112.992 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -62.06 -50.81 70.47 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.224 0.609 . . . . 99.99 111.274 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -109.67 175.08 5.58 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.577 0.751 . . . . 99.99 110.509 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.402 ' HE3' HD11 ' D' ' 89' ' ' ILE . 0.9 OUTLIER -33.53 125.02 0.42 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.115 1.366 . . . . 99.99 111.695 170.191 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -104.91 127.65 52.83 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.55 0.74 . . . . 99.99 110.311 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 79.57 108.519 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 99.99 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.409 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 81.0 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.671 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 28.79 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 14.92 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 58.5 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.546 HG23 ' HE1' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 14.63 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 15.53 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 6.05 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 14.28 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 16.78 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 22.87 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 21.13 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 30.2 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 64.18 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.633 ' HZ1' ' HG2' ' D' ' 71' ' ' GLU . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 34.41 109.61 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 54.02 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 34.31 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 83.42 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 99.99 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.667 ' HB2' HD23 ' E' ' 111' ' ' LEU . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 97.22 109.538 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 99.99 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 62.54 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 55.71 111.486 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 61.91 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 93.38 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.522 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 99.99 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 99.99 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.436 ' HH ' HD22 ' E' ' 102' ' ' LEU . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 71.26 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.527 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 36.06 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 79.92 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.638 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.581 HG23 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 22.5 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 23.18 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 24.43 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 32.61 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 25.12 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.511 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 49.15 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 32.34 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 33.15 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.633 ' HG2' ' HZ1' ' D' ' 34' ' ' LYS . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 19.1 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.511 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 12.32 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 8.66 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 19.44 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.552 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 10.02 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.638 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 36.3 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 29.4 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.431 ' O ' HD11 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.3 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 65.32 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.43 HG12 HD13 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 99.99 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.43 HD13 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.442 ' HE1' ' HB ' ' E' ' 97' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 99.99 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 99.99 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 70.12 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 64.46 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 46.86 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 45.41 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 38.42 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 87.71 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.604 HG22 HG23 ' E' ' 306' ' ' VAL . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 35.35 109.78 169.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 21.86 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 12.38 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 8.42 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 15.0 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 17.35 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 12.17 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . 0.423 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.56 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.426 ' O ' HG23 ' D' ' 118' ' ' VAL . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 19.17 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 19.58 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 14.23 110.494 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.552 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 6.04 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 19.19 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 16.36 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 7.12 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 122' ' ' THR . . . . . 0.503 HG22 ' H ' ' E' ' 132' ' ' SER . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 35.79 112.162 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 27.88 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 17.97 111.627 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 33.77 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 99.99 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.4 HD12 HD13 ' D' ' 114' ' ' ILE . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 35.86 111.66 -168.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' E' ' 122' ' ' THR . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 48.78 110.702 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.403 ' HG2' ' HB3' ' E' ' 311' ' ' ASN . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 48.18 113.506 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' E' ' 120' ' ' TYR . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 95.86 110.396 172.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' E' ' 310' ' ' PRO . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.612 ' HA ' HD11 ' D' ' 136' ' ' LEU . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . 0.594 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 -57.7 -42.45 83.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.53 ' HA ' ' HE3' ' D' ' 138' ' ' MET . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.465 1.103 . . . . 99.99 111.66 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' D' ' 133' ' ' PHE . 7.1 mp -63.43 -51.28 66.39 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.127 0.571 . . . . 99.99 109.956 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.419 ' O ' HD12 ' D' ' 141' ' ' LEU . 80.2 m-85 -67.86 -32.58 73.2 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 99.99 111.858 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.53 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 39.2 ttm -53.91 -40.02 66.33 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.595 1.158 . . . . 99.99 111.006 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -67.47 -52.32 40.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.786 -1.097 . . . . 99.99 110.617 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.61 -26.13 67.7 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.521 0.934 . . . . 99.99 113.521 -168.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . 0.419 HD12 ' O ' ' D' ' 137' ' ' PHE . 6.7 mp -63.07 -43.02 99.73 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.724 0.81 . . . . 99.99 111.857 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -84.2 5.02 28.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.949 0.5 . . . . 99.99 112.33 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -143.33 48.02 1.48 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.781 0.8 . . . . 99.99 110.569 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . 0.487 ' HG2' ' HE1' ' E' ' 109' ' ' TYR . 8.3 tp-100 -146.76 -76.85 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 176.65 -66.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.619 1.568 . . . . 99.99 107.323 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.54 167.35 28.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.972 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.39 -50.16 8.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.399 0.68 . . . . 99.99 110.16 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -82.8 49.98 4.3 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.038 -0.983 . . . . 99.99 112.563 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 41.2 m -81.62 77.91 8.42 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.697 -0.853 . . . . 99.99 108.697 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.91 142.92 12.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.327 -1.306 . . . . 99.99 107.581 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -53.87 -46.17 71.22 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.935 0.894 . . . . 99.99 110.889 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 82.8 t60 77.27 -38.97 0.3 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.992 1.717 . . . . 99.99 112.777 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 60.77 74.05 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.695 1.198 . . . . 99.99 110.244 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -88.66 -59.23 2.29 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.757 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.159 0.583 . . . . 99.99 109.659 -176.562 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.077 -0.342 . . . . 99.99 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -82.27 118.39 23.09 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.866 -0.79 . . . . 99.99 108.866 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.437 ' HG2' ' HB1' ' E' ' 83' ' ' ALA . 22.0 mt-30 -114.39 160.54 19.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.975 0.91 . . . . 99.99 111.892 -173.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -77.2 177.73 7.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.233 1.013 . . . . 99.99 111.18 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -73.52 110.33 7.72 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 121.894 0.854 . . . . 99.99 110.948 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.488 HD11 ' H ' ' B' ' 129' ' ' ALA . 10.1 tp -165.68 146.26 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 C-N-CA 124.604 1.162 . . . . 99.99 108.024 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -78.53 163.11 25.83 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 110.05 -0.352 . . . . 99.99 110.05 174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt 65.11 133.35 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.88 1.272 . . . . 99.99 112.226 -174.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.4 -59.13 0.15 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.933 0.493 . . . . 99.99 110.398 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.433 HD12 ' H ' ' E' ' 11' ' ' LEU . 0.6 OUTLIER -163.3 155.78 18.3 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 -171.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.707 ' HB3' HD23 ' B' ' 44' ' ' LEU . 1.8 pt? -142.97 148.69 46.48 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.231 1.013 . . . . 99.99 109.365 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.03 167.88 26.15 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.304 2.003 . . . . 99.99 112.698 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.39 97.66 3.68 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.624 -0.716 . . . . 99.99 109.145 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 0.5 OUTLIER -129.96 -163.88 1.35 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.839 1.256 . . . . 99.99 109.207 177.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.419 ' HB3' ' HE1' ' B' ' 94' ' ' MET . 0.5 OUTLIER 75.15 114.15 0.06 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 124.113 0.965 . . . . 99.99 110.225 170.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -72.95 145.34 86.33 Favored Pre-proline 0 N--CA 1.489 1.494 0 CA-C-O 117.688 -1.148 . . . . 99.99 109.909 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' HE1' ' E' ' 26' ' ' MET . 27.2 Cg_exo -34.88 79.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.399 3.226 1 C-N-CA 125.52 4.146 . . . . 99.99 116.267 -171.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t 63.93 -1.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 C-N-CA 127.103 2.161 . . . . 99.99 113.327 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 11.8 p -91.61 -74.28 0.51 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.637 -0.665 . . . . 99.99 112.439 -166.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.485 ' HB3' ' HZ3' ' E' ' 20' ' ' LYS . 8.0 mtpm? -137.13 94.49 2.96 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.387 0.675 . . . . 99.99 110.305 -169.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 111.19 6.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.065 0.946 . . . . 99.99 112.019 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -163.39 -66.24 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.59 -0.893 . . . . 99.99 108.59 175.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -99.22 150.95 37.19 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 123.178 0.591 . . . . 99.99 110.083 173.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . 0.656 ' HB3' ' HA ' ' E' ' 14' ' ' LEU . 74.4 Cg_endo -79.3 159.5 26.21 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.559 2.173 . . . . 99.99 111.742 161.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 64.45 167.72 0.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.437 1.095 . . . . 99.99 112.074 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.458 ' HE1' ' HD2' ' E' ' 17' ' ' PRO . 64.6 mtt -122.64 71.83 39.76 Favored Pre-proline 0 CA--C 1.558 1.267 0 C-N-CA 124.319 1.048 . . . . 99.99 108.884 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -36.57 0.9 Allowed 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.997 2.464 . . . . 99.99 113.114 -170.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -111.39 18.7 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 123.857 0.863 . . . . 99.99 109.634 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.29 74.78 10.36 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.512 -0.922 . . . . 99.99 108.512 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 51.29 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.948 1.699 . . . . 99.99 112.744 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -116.12 127.21 54.65 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 107.294 -1.372 . . . . 99.99 107.294 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . 0.529 ' H ' ' HD2' ' E' ' 32' ' ' ARG . 2.0 mpt_? -76.28 -26.31 55.79 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.84 0.712 . . . . 99.99 110.786 -169.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.87 43.81 17.62 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.251 1.02 . . . . 99.99 110.163 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 83.59 0.28 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.609 -1.178 . . . . 99.99 112.178 -170.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 70.17 -59.48 0.51 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.626 1.97 . . . . 99.99 112.721 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.96 -55.65 0.5 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 112.28 -0.328 . . . . 99.99 112.28 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.82 98.34 7.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.748 0.419 . . . . 99.99 110.305 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.573 HG22 ' H ' ' E' ' 40' ' ' ALA . 2.7 mp 65.16 126.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 C-N-CA 125.51 1.524 . . . . 99.99 111.069 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -86.46 29.26 0.78 Allowed 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 123.549 0.74 . . . . 99.99 112.025 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.573 ' H ' HG22 ' E' ' 38' ' ' ILE . . . -163.61 57.83 0.65 Allowed Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 125.13 1.372 . . . . 99.99 108.331 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -94.54 -150.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.596 2.864 . . . . 99.99 113.339 -164.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.56 5.71 43.58 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-N 116.0 -0.546 . . . . 99.99 113.551 174.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.97 168.38 19.11 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 117.482 0.641 . . . . 99.99 111.599 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 65.19 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.769 1.627 . . . . 99.99 112.003 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.47 -36.04 80.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.31 1.044 . . . . 99.99 108.69 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.62 56.67 0.91 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.166 1.387 . . . . 99.99 109.116 -174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.54 -27.09 65.9 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.693 -1.14 . . . . 99.99 111.82 -174.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 14.3 m -56.28 -23.85 39.18 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.255 1.022 . . . . 99.99 112.293 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.15 85.27 1.57 Allowed Glycine 0 C--N 1.346 1.123 0 N-CA-C 110.116 -1.194 . . . . 99.99 110.116 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.26 92.78 0.12 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.706 0.765 . . . . 99.99 110.737 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.71 -16.4 26.99 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.823 -1.081 . . . . 99.99 110.29 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -77.0 -48.99 16.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.005 . . . . 99.99 113.206 -172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.71 -56.18 3.86 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 117.669 0.213 . . . . 99.99 111.247 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.85 -69.89 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.912 1.383 . . . . 99.99 111.628 -169.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 43.8 tp 65.75 74.24 0.37 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.792 1.237 . . . . 99.99 109.91 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.2 mtp-105 -92.11 -171.15 2.74 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.324 -1.307 . . . . 99.99 110.277 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -72.46 -21.22 61.26 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.738 0.815 . . . . 99.99 111.468 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 17.1 m -82.06 85.87 6.68 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.781 0.833 . . . . 99.99 111.049 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -155.59 -173.96 4.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.016 0.926 . . . . 99.99 110.472 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 36.8 t -132.57 -78.57 0.5 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.54 -0.911 . . . . 99.99 108.54 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.18 80.68 0.12 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.899 1.28 . . . . 99.99 112.864 165.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.754 ' HG3' ' HA ' ' E' ' 81' ' ' THR . 46.7 mmtm -108.02 148.57 37.72 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 115.116 -0.947 . . . . 99.99 110.474 -175.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.18 76.01 0.34 Allowed 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 123.242 2.628 . . . . 99.99 113.545 -175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' B' ' 132' ' ' ASN . . . 174.67 30.35 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.671 1.588 . . . . 99.99 109.7 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' E' ' 62' ' ' LYS . 27.6 mtpp -82.67 -78.49 0.21 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.562 0.345 . . . . 99.99 111.642 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -129.65 115.26 17.11 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.388 0.614 . . . . 99.99 112.421 -161.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' B' ' 101' ' ' TYR . 5.8 tt -110.08 110.23 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 105.675 -1.972 . . . . 99.99 105.675 153.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 tt -72.17 81.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-O 122.584 1.183 . . . . 99.99 111.329 -170.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -140.3 13.36 2.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.441 1.496 . . . . 99.99 110.122 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.56 159.9 26.68 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 117.845 0.293 . . . . 99.99 111.114 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.536 HG12 ' HB3' ' E' ' 312' ' ' PRO . 8.4 mt -81.01 -40.36 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.78 37.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.762 -1.335 . . . . 99.99 109.762 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -120.73 104.09 9.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.756 1.223 . . . . 99.99 110.193 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.25 139.83 5.89 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 110.643 -0.983 . . . . 99.99 110.643 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -58.27 2.57 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.38 -163.57 32.54 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.931 -0.577 . . . . 99.99 112.293 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . 0.661 ' HA ' ' HB ' ' E' ' 80' ' ' ILE . 5.9 m-20 -81.61 15.63 2.05 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.934 0.894 . . . . 99.99 111.809 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.2 p -66.75 -50.98 61.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.348 1.059 . . . . 99.99 111.116 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -90.64 -28.46 18.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.453 0.701 . . . . 99.99 110.173 175.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.661 ' HB ' ' HA ' ' E' ' 77' ' ' ASP . 65.5 mt -69.81 90.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.172 0.589 . . . . 99.99 109.76 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.754 ' HA ' ' HG3' ' E' ' 62' ' ' LYS . 9.9 t -141.85 128.55 20.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.682 0.793 . . . . 99.99 109.547 175.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.7 -63.2 1.35 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.483 0.713 . . . . 99.99 109.077 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.437 ' HB1' ' HG2' ' E' ' 3' ' ' GLN . . . -171.28 141.07 1.54 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.206 1.002 . . . . 99.99 109.538 176.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' D' ' 3' ' ' GLU . 0.9 OUTLIER -169.31 120.54 0.72 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 106.038 -1.838 . . . . 99.99 106.038 -174.272 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -58.64 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.346 1.058 . . . . 99.99 112.556 -166.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -148.04 19.98 1.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.755 1.222 . . . . 99.99 108.696 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 64.82 75.69 0.36 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.305 . . . . 99.99 110.602 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.62 92.36 5.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.441 1.096 . . . . 99.99 110.313 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.69 34.3 0.16 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 116.155 -0.475 . . . . 99.99 112.604 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.95 52.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.564 0.746 . . . . 99.99 110.836 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.21 120.05 8.27 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.475 0.484 . . . . 99.99 112.026 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.04 -172.3 35.65 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -90.03 92.15 8.87 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -122.8 144.37 49.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.475 0.71 . . . . 99.99 109.548 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.02 109.21 16.14 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.473 0.483 . . . . 99.99 109.887 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.43 -20.99 3.79 Favored Glycine 0 CA--C 1.524 0.611 0 O-C-N 123.686 0.616 . . . . 99.99 112.566 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.442 ' HB ' ' HE1' ' D' ' 94' ' ' MET . 35.9 pt -137.91 -28.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.902 0.881 . . . . 99.99 111.162 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 76.96 -47.92 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.074 1.509 . . . . 99.99 115.074 165.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.23 -79.91 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.101 0.778 . . . . 99.99 113.101 -166.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.412 ' H ' ' HE2' ' D' ' 94' ' ' MET . 3.8 mm? 57.59 71.24 1.12 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.183 0.993 . . . . 99.99 110.215 -167.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.78 -8.04 19.92 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.39 2.726 . . . . 99.99 113.476 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.436 HD22 ' HH ' ' D' ' 56' ' ' TYR . 6.2 tt -67.86 -28.48 67.58 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.234 1.414 . . . . 99.99 111.476 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 65.8 p -53.68 119.02 4.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.51 1.124 . . . . 99.99 111.99 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.59 -49.42 0.83 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 110.471 -1.052 . . . . 99.99 110.471 -173.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 56.58 -134.22 1.33 Allowed 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.762 1.225 . . . . 99.99 111.266 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 56.66 50.07 13.37 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 123.965 0.906 . . . . 99.99 109.842 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -66.26 132.52 48.6 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 99.99 112.204 -167.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -74.45 0.81 13.45 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.098 0.959 . . . . 99.99 111.326 171.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.487 ' HE1' ' HG2' ' D' ' 144' ' ' GLN . 13.3 m-30 -55.19 -59.31 4.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.758 1.223 . . . . 99.99 111.475 173.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 179.54 -42.87 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.965 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' D' ' 44' ' ' LEU . 25.7 mt -82.68 82.41 8.05 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.2 -170.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -144.65 84.27 1.73 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.609 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.49 -67.79 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.813 2.045 . . . . 99.99 113.135 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -122.25 -155.14 0.63 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.155 0.582 . . . . 99.99 110.231 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -69.39 85.62 0.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.077 0.951 . . . . 99.99 112.598 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.2 -47.23 8.46 Favored Glycine 0 C--N 1.341 0.816 0 N-CA-C 110.182 -1.167 . . . . 99.99 110.182 166.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -167.53 116.93 0.68 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 124.323 1.049 . . . . 99.99 109.507 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -87.35 111.89 0.84 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.899 2.399 . . . . 99.99 111.912 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -150.6 145.23 25.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.3 -1.0 . . . . 99.99 108.3 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.577 ' HB3' HG23 ' D' ' 131' ' ' VAL . 91.4 m-85 60.77 -156.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.282 1.033 . . . . 99.99 111.463 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.509 HG21 HD12 ' D' ' 44' ' ' LEU . 12.8 t 70.51 8.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 C-N-CA 125.066 1.347 . . . . 99.99 111.652 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 122' ' ' THR . . . . . 0.526 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . 10.0 t -144.06 142.02 30.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.462 1.105 . . . . 99.99 108.686 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 -57.27 0.92 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.945 0.498 . . . . 99.99 109.807 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 69.7 m -170.8 -57.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.703 1.201 . . . . 99.99 109.496 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.04 95.78 7.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.81 0.844 . . . . 99.99 112.395 -166.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -163.16 55.53 0.19 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.293 0.637 . . . . 99.99 111.726 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -171.85 140.17 1.24 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 122.78 0.432 . . . . 99.99 111.529 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -162.52 120.54 2.11 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.527 1.131 . . . . 99.95 108.279 171.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -60.63 144.64 51.41 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.53 138.2 5.13 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.143 0.977 . . . . 99.99 110.738 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.437 ' HZ2' HH11 ' C' ' 15' ' ' ARG . 71.3 t90 -157.67 142.54 16.65 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.54 1.136 . . . . 99.99 108.726 174.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 132' ' ' SER . . . . . 0.503 ' H ' HG22 ' D' ' 122' ' ' THR . 89.4 p -97.57 147.72 24.0 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.064 0.765 . . . . 99.99 113.064 -169.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 4.6 t -99.24 105.25 17.27 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.761 0.824 . . . . 99.99 108.873 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.31 -50.52 32.33 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.576 . . . . 99.66 111.92 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.776 HG21 HD23 ' E' ' 468' ' ' LEU . 9.9 p 43.7 -135.45 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.635 1.974 . . . . 99.99 112.866 176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.56 ' HZ1' HG23 ' C' ' 13' ' ' ILE . 33.7 mtmm 81.51 116.91 0.06 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.857 1.663 . . . . 99.99 112.458 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 32.3 m -70.57 146.77 49.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.333 1.053 . . . . 99.99 109.327 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.35 119.1 8.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.129 0.571 . . . . 99.99 111.376 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.52 136.51 40.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.23 0.612 . . . . 99.99 109.95 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.73 -177.09 50.28 Favored Glycine 0 CA--C 1.524 0.655 0 O-C-N 123.666 0.604 . . . . 99.99 112.138 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.729 ' H ' ' HG2' ' C' ' 143' ' ' GLN . . . -91.8 -166.97 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.05 1.34 . . . . 99.99 112.208 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.88 -66.79 0.53 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.097 -1.075 . . . . 99.99 108.097 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . 0.52 ' HA3' ' HG3' ' A' ' 138' ' ' MET . . . 163.12 144.72 4.11 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.13 0.812 . . . . 99.99 115.13 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.44 137.19 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 107.384 -1.339 . . . . 99.99 107.384 164.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.1 107.05 10.39 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 121.704 0.764 . . . . 99.99 110.505 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 pt -169.01 105.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.794 2.037 . . . . 99.99 106.409 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.572 ' HB3' ' HE3' ' E' ' 149' ' ' LYS . 21.8 m80 -65.17 90.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.697 0.76 . . . . 99.99 111.363 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.7 102.49 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.314 1.845 . . . . 99.99 111.39 171.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.572 ' HE3' ' HB3' ' E' ' 147' ' ' HIS . 96.9 mttt -127.25 100.79 6.22 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.383 -0.969 . . . . 99.99 108.383 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -112.77 120.34 41.15 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.266 1.026 . . . . 99.99 109.435 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . 0.409 ' NE2' ' HB3' ' E' ' 369' ' ' GLU . 45.2 t60 -69.65 -61.57 3.02 Favored Pre-proline 0 CA--C 1.566 1.594 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -169.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.69 -37.68 27.48 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.549 2.166 . . . . 99.99 113.562 -162.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.3 m 59.44 48.98 9.2 Favored 'General case' 0 CA--C 1.568 1.673 0 O-C-N 124.54 1.15 . . . . 99.99 110.707 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 86.5 mt -88.77 -40.42 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 114.998 -1.001 . . . . 99.99 111.599 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.14 -5.71 40.96 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.341 0.656 . . . . 99.99 111.327 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . 0.427 ' HG3' ' HG2' ' C' ' 3' ' ' GLU . 8.9 tp10 -62.9 77.04 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 126.213 1.805 . . . . 99.99 111.509 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' C' ' 4' ' ' GLN . 39.7 ttm 57.34 -66.31 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.279 2.231 . . . . 99.99 116.152 173.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 83.03 37.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.174 1.79 . . . . 99.99 109.716 -173.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -67.45 -42.16 83.54 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.656 -1.156 . . . . 99.99 110.182 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.27 69.76 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.87 0.868 . . . . 99.99 111.218 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -79.25 -1.14 35.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.385 0.674 . . . . 99.99 112.229 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -134.05 73.95 0.44 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 111.333 -0.707 . . . . 99.99 111.333 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.9 -70.21 0.37 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 62.91 -74.81 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.41 1.484 . . . . 99.99 113.239 171.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.4 t -62.55 125.16 22.98 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.225 1.01 . . . . 99.99 112.008 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -103.93 10.64 52.2 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 115.481 -0.781 . . . . 99.99 111.536 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 64.13 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.633 1.573 . . . . 99.99 110.776 -173.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 3.0 p -102.91 117.5 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 108.593 -0.891 . . . . 99.99 108.593 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 33.8 m -77.04 -45.86 25.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.641 0.777 . . . . 99.99 111.335 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 170' ' ' THR . . . . . 0.606 HG22 HD23 ' E' ' 173' ' ' LEU . 91.6 m 64.6 103.41 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.44 1.096 . . . . 99.99 111.489 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -135.35 -79.8 0.43 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.733 0.413 . . . . 99.99 111.611 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.6 -59.59 4.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.56 1.144 . . . . 99.99 112.547 -169.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . 0.606 HD23 HG22 ' E' ' 170' ' ' THR . 91.5 mt 59.05 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.114 1.366 . . . . 99.99 113.231 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.431 ' H ' ' HE2' ' E' ' 404' ' ' LYS . 6.5 tp-100 -133.57 135.25 44.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.617 0.767 . . . . 99.99 111.555 -171.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -175.79 -73.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.903 1.281 . . . . 99.99 108.833 167.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -96.35 115.69 27.83 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.972 0.909 . . . . 99.99 110.394 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 40.4 p -132.54 164.39 43.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.944 1.298 . . . . 99.99 108.901 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.55 110.67 0.76 Allowed 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 122.05 1.833 . . . . 99.99 110.856 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.79 -72.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.387 0.675 . . . . 99.99 110.746 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.09 31.1 21.01 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.103 0.961 . . . . 99.99 111.364 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 53.8 tp -103.49 160.19 14.93 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.774 1.23 . . . . 99.99 110.42 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 3.6 p -78.3 103.2 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.021 0.528 . . . . 99.99 110.49 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . 0.412 ' HB1' ' HA2' ' E' ' 229' ' ' GLY . . . 179.05 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.803 1.241 . . . . 99.99 109.135 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -157.14 -73.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.458 0.303 . . . . 99.99 111.47 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 96.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 6.4 t -70.68 114.69 9.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 172.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 34.1 t -161.44 166.87 26.62 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.283 0.633 . . . . 99.99 109.557 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 65.05 12.23 7.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.833 1.253 . . . . 99.99 110.67 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.543 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 20.5 pttp 34.21 -75.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 127.716 2.406 . . . . 99.99 114.691 -176.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . 0.543 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 33.6 m -86.11 20.48 2.29 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.789 1.236 . . . . 99.99 112.108 -172.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . 0.546 ' HB3' ' HD2' ' E' ' 193' ' ' PRO . 88.4 m-85 68.07 155.63 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.069 1.348 . . . . 99.99 112.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.65 43.77 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.72 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' E' ' 191' ' ' TYR . 27.5 Cg_endo -88.2 63.61 3.32 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.83 2.353 . . . . 99.99 112.243 178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.1 m -63.38 -43.79 96.59 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.294 0.569 . . . . 99.99 110.418 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.57 87.04 1.55 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.724 -1.125 . . . . 99.99 108.094 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 38.4 p -118.76 -13.55 9.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.205 1.002 . . . . 99.99 110.192 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.9 m -56.48 145.39 27.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.788 1.235 . . . . 99.99 112.58 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 65.33 86.61 0.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.301 1.441 . . . . 99.99 112.158 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 14.42 6.38 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.666 1.186 . . . . 99.99 113.754 169.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' E' ' 219' ' ' ASN . 19.9 m 67.24 143.25 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.105 1.362 . . . . 99.99 111.295 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' E' ' 218' ' ' LEU . 51.6 Cg_exo -56.15 -25.98 57.98 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.899 2.399 . . . . 99.99 113.052 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.26 74.64 2.41 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.255 -0.738 . . . . 99.99 111.255 171.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -143.83 -169.96 3.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.986 0.914 . . . . 99.99 109.541 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 66.25 -82.54 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.126 1.37 . . . . 99.99 110.59 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.2 mp -76.52 98.96 4.79 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 171.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 165.49 19.4 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.263 0.625 . . . . 99.99 110.183 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 63.52 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 125.013 1.325 . . . . 99.99 110.951 -171.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -63.65 -20.5 63.96 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.775 0.702 . . . . 99.99 113.511 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -62.78 -32.63 84.38 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 112.312 -0.315 . . . . 99.99 112.312 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' E' ' 210' ' ' LYS . 4.1 ttmp? 61.99 30.85 18.1 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.243 1.017 . . . . 99.99 110.055 174.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.54 -25.45 65.39 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 114.714 -1.13 . . . . 99.99 112.911 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 212' ' ' SER . . . . . 0.609 ' HA ' HD21 ' E' ' 217' ' ' LEU . 12.9 p -78.7 -79.52 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.439 0.696 . . . . 99.99 111.2 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.406 HD11 ' HG2' ' E' ' 210' ' ' LYS . 49.6 mt 54.83 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 125.49 1.516 . . . . 99.99 112.054 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.6 t -134.5 -160.87 1.09 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.297 1.439 . . . . 99.99 108.343 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.8 -16.86 31.37 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.032 1.123 . . . . 99.99 114.032 -173.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -55.52 -55.95 25.93 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.91 0.884 . . . . 99.99 111.812 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.609 HD21 ' HA ' ' E' ' 212' ' ' SER . 95.1 mt 58.35 17.03 4.45 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.546 0.943 . . . . 99.99 113.546 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . 0.58 ' HB3' ' HD2' ' E' ' 201' ' ' PRO . 4.5 mm? 55.52 31.79 17.76 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 124.122 0.969 . . . . 99.99 111.326 -173.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.674 ' HB2' ' SG ' ' E' ' 200' ' ' CYS . 44.8 t30 -154.25 85.69 1.15 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.273 1.029 . . . . 99.99 108.71 -174.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -138.85 122.81 17.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.811 0.444 . . . . 99.99 111.066 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 66.35 95.03 0.06 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.861 1.264 . . . . 99.99 111.898 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -94.36 97.27 10.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.527 0.731 . . . . 99.99 109.972 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 2.3 p30 48.49 20.04 0.28 Allowed 'General case' 0 N--CA 1.513 2.676 0 C-N-CA 126.214 1.805 . . . . 99.99 114.204 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.591 HG22 ' H ' ' E' ' 225' ' ' THR . 9.2 p -81.06 -149.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.572 1.803 0 C-N-CA 125.459 1.504 . . . . 99.99 108.858 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 225' ' ' THR . . . . . 0.591 ' H ' HG22 ' E' ' 224' ' ' VAL . 15.1 t -24.89 149.96 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.416 1.886 . . . . 99.99 115.492 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.6 mt 85.14 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.805 2.042 . . . . 99.99 108.59 -161.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 70.66 166.05 6.19 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 115.447 -0.797 . . . . 99.99 113.024 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -88.42 70.8 2.57 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.136 -0.786 . . . . 99.99 111.136 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . 0.412 ' HA2' ' HB1' ' E' ' 183' ' ' ALA . . . -69.66 83.24 0.29 Allowed Glycine 0 C--N 1.357 1.719 0 N-CA-C 111.625 -0.59 . . . . 99.99 111.625 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.6 -65.34 1.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.788 0.835 . . . . 99.99 111.382 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 60.91 -80.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.854 1.262 . . . . 99.99 110.386 -169.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 35.4 m 55.14 78.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.443 1.097 . . . . 99.99 110.544 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . 0.599 ' HA ' ' HB3' ' E' ' 237' ' ' ALA . 86.7 m-85 62.49 -80.65 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.035 1.334 . . . . 99.99 111.124 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.39 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.704 1.601 . . . . 99.99 112.354 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.7 -61.61 1.86 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 93.1 m -158.21 -39.08 0.07 Allowed 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.426 1.09 . . . . 99.99 110.361 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' E' ' 233' ' ' PHE . . . 64.52 81.37 0.21 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.473 1.509 . . . . 99.99 109.656 -161.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 45.3 p -86.38 9.04 19.2 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.517 0.727 . . . . 99.99 112.018 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -66.45 104.57 1.27 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.14 0.576 . . . . 99.99 109.742 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.99 70.46 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.452 0.47 . . . . 99.99 112.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 62.55 -103.68 0.13 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.867 1.267 . . . . 99.99 110.177 -171.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 87.0 t90 176.43 -48.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.644 1.178 . . . . 99.99 108.502 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -85.02 149.69 25.4 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.66 -0.7 . . . . 99.99 111.036 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -90.54 153.74 22.86 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.492 0.495 . . . . 99.99 112.683 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.21 68.21 9.83 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 99.99 110.056 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 23.7 p -72.3 -42.79 65.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.618 -0.719 . . . . 99.99 110.379 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 2.8 mm? -61.96 -22.32 65.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.855 0.862 . . . . 99.99 111.977 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -50.32 -33.41 20.11 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.76 1.224 . . . . 99.99 113.801 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.98 -17.37 56.84 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.468 0.914 . . . . 99.99 113.468 -173.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 29.7 pt20 -74.44 -46.43 39.99 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.848 0.356 . . . . 99.99 110.425 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.56 35.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.36 1.064 . . . . 99.99 111.655 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -53.97 -58.44 7.3 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.512 1.125 . . . . 99.99 112.226 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.31 -66.9 0.84 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.739 0.304 . . . . 99.99 110.337 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -144.61 -69.41 0.3 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.705 0.802 . . . . 99.99 109.153 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -165.91 163.64 36.89 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 115.203 -0.908 . . . . 99.99 111.135 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 62.5 t80 67.77 -82.38 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.725 1.21 . . . . 99.99 111.519 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 171.74 68.73 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 106.704 -1.591 . . . . 99.99 106.704 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 75.3 mt 63.69 171.02 0.17 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.41 1.084 . . . . 99.99 111.774 -174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 43.3 t 65.74 -70.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.415 1.486 . . . . 99.99 112.26 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 25.1 t 70.66 169.44 0.31 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.751 1.621 . . . . 99.99 110.412 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . 0.61 ' HB3' ' HB2' ' E' ' 264' ' ' SER . 28.3 m-20 -87.57 58.58 5.0 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.004 0.521 . . . . 99.99 109.875 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.632 0.773 . . . . 99.99 111.712 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -86.85 1.18 53.32 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.53 0.732 . . . . 99.99 112.823 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 264' ' ' SER . . . . . 0.61 ' HB2' ' HB3' ' E' ' 261' ' ' ASP . 42.6 t -63.41 101.94 0.37 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.453 0.701 . . . . 99.99 112.029 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.76 71.41 0.34 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.566 1.546 . . . . 99.99 111.603 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 66.02 -82.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.439 1.496 . . . . 99.99 110.433 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 267' ' ' SER . . . . . 0.512 ' HB2' ' HG2' ' E' ' 275' ' ' LYS . 49.6 m -155.93 27.98 0.37 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.124 0.57 . . . . 99.99 111.162 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.47 -5.92 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 112.006 0.372 . . . . 99.99 112.006 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 2.5 t -74.25 77.89 1.82 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.187 0.995 . . . . 99.99 111.709 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 57.69 -96.66 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.389 1.475 . . . . 99.99 114.182 164.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' C' ' 53' ' ' ASP . . . -82.96 -16.43 47.35 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.153 0.581 . . . . 99.99 111.825 -171.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.52 -8.96 58.1 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.446 0.698 . . . . 99.99 111.752 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' E' ' 273' ' ' GLN . 0.0 OUTLIER -57.47 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.036 0.935 . . . . 99.99 112.801 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -94.85 -4.51 46.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.469 1.108 . . . . 99.99 109.189 166.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.512 ' HG2' ' HB2' ' E' ' 267' ' ' SER . 31.2 mmmt -70.2 166.95 29.07 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.383 1.473 . . . . 99.99 111.261 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -35.21 86.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.397 3.1 0 C-N-CA 125.15 3.9 . . . . 99.99 115.398 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.637 HD11 ' HB ' ' C' ' 86' ' ' ILE . 0.2 OUTLIER -155.2 28.78 0.4 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 124.615 1.166 . . . . 99.99 108.423 178.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -157.75 0.41 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.823 -1.547 . . . . 99.99 106.823 175.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' E' ' 356' ' ' ASN . . . 91.04 43.72 4.64 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 114.653 0.621 . . . . 99.99 114.653 172.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' C' ' 95' ' ' ALA . 4.2 tt -162.9 90.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.026 -0.731 . . . . 99.99 109.026 170.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.615 ' HB2' ' HB2' ' E' ' 352' ' ' ASP . 0.7 OUTLIER -163.03 169.81 18.97 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.169 1.788 . . . . 99.99 108.005 170.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . 60.5 109.21 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.675 1.19 . . . . 99.99 111.132 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 82.63 -31.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 126.267 1.827 . . . . 99.99 110.522 -165.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.85 63.33 Favored Glycine 0 C--N 1.364 2.111 0 C-N-CA 123.253 0.454 . . . . 99.99 112.532 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -72.26 93.75 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.934 -0.765 . . . . 99.99 108.934 166.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.23 139.42 97.54 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.696 1.199 . . . . 99.99 111.478 -176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.44 126.06 21.09 Favored 'Trans proline' 0 C--N 1.386 2.507 0 C-N-CA 123.818 3.012 . . . . 99.99 114.082 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 98.9 t -126.68 133.12 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.854 1.262 . . . . 99.99 110.376 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.38 164.92 11.71 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.509 0.724 . . . . 99.99 109.684 170.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.502 ' HE3' HD23 ' C' ' 42' ' ' LEU . 72.9 t-105 -76.21 144.92 40.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.081 0.552 . . . . 99.99 109.877 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.26 120.33 0.87 Allowed Glycine 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.95 166.88 28.57 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.01 2.473 . . . . 99.99 112.139 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -156.26 172.25 18.79 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.477 0.711 . . . . 99.99 111.312 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -87.01 35.51 0.7 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.406 -1.27 . . . . 99.99 110.644 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.586 HG21 ' HB3' ' C' ' 126' ' ' LEU . 58.0 m -43.52 -46.86 7.14 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.119 1.768 . . . . 99.99 113.019 -173.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.612 ' HE1' HD11 ' E' ' 301' ' ' ILE . 6.1 t80 -74.86 89.1 2.33 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.134 -0.939 . . . . 99.99 110.875 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . 0.527 ' H ' ' HG2' ' C' ' 124' ' ' PRO . 26.9 m80 -105.01 170.32 7.93 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.747 1.219 . . . . 99.99 110.408 174.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . 0.416 ' HA2' ' HZ3' ' C' ' 36' ' ' TRP . . . -93.77 98.8 2.4 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.445 -0.798 . . . . 99.99 114.091 -171.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 75.39 0.76 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.838 -1.541 . . . . 99.99 106.838 163.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.612 HD11 ' HE1' ' E' ' 297' ' ' TYR . 34.5 mt -126.85 86.91 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-N 115.223 -0.899 . . . . 99.99 108.593 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.0 134.56 4.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.451 0.701 . . . . 99.99 110.329 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -140.28 133.4 14.96 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.394 1.078 . . . . 99.99 108.529 173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.94 -168.76 0.64 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.218 2.612 . . . . 99.99 113.613 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -65.43 129.71 40.73 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.927 0.891 . . . . 99.99 111.358 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.604 HG23 HG22 ' D' ' 105' ' ' ILE . 1.5 m -103.96 155.71 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.054 0.542 . . . . 99.99 110.364 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 1.9 p -85.43 111.57 20.07 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.068 -0.715 . . . . 99.99 109.068 168.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 18.5 p -87.31 164.78 16.08 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.639 0.776 . . . . 99.99 110.499 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 39.3 p -110.44 95.46 22.65 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.665 0.786 . . . . 99.99 109.572 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' D' ' 132' ' ' ASN . 27.1 Cg_exo -66.02 -45.22 6.24 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.391 2.06 . . . . 99.99 112.672 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . 0.403 ' HB3' ' HG2' ' D' ' 130' ' ' PRO . 9.9 t30 37.64 76.72 0.44 Allowed Pre-proline 0 N--CA 1.497 1.917 0 C-N-CA 125.546 1.538 . . . . 99.99 113.177 177.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.536 ' HB3' HG12 ' E' ' 71' ' ' ILE . 93.2 Cg_endo -79.65 -22.85 7.51 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.547 2.165 . . . . 99.99 113.224 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 58.25 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.623 1.169 . . . . 99.99 108.749 -162.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.41 62.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 104.881 -2.266 . . . . 99.99 104.881 167.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 20.0 m120 76.8 -51.53 0.57 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.176 1.791 . . . . 99.99 110.895 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 16.7 t70 73.98 -73.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.633 1.573 . . . . 99.99 111.593 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 17.6 m -63.98 140.56 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.336 0.654 . . . . 99.99 110.054 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.59 128.38 93.76 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 109.495 -0.557 . . . . 99.99 109.495 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.83 86.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.39 2.714 0 C-N-CA 122.978 2.452 . . . . 99.99 112.63 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 6.4 m 61.68 -78.36 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.403 1.481 . . . . 99.99 111.526 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 tt 63.45 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.192 0 C-N-CA 125.475 1.51 . . . . 99.99 108.809 -171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -134.42 -16.47 2.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.259 0.624 . . . . 99.99 111.161 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -70.49 79.39 0.57 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.167 0.987 . . . . 99.99 110.548 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 171.68 -52.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.22 1.808 . . . . 99.99 107.198 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.8 t -147.44 58.31 1.14 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.522 1.153 . . . . 99.99 109.294 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -73.48 90.43 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.49 -1.232 . . . . 99.99 110.923 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.586 ' HB3' ' HB2' ' E' ' 330' ' ' GLU . 16.1 tptp 71.33 151.53 0.1 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.0 1.72 . . . . 99.99 111.419 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.6 -77.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.978 0.511 . . . . 99.99 111.901 -171.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.12 -19.97 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 112.28 0.474 . . . . 99.99 112.28 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' E' ' 327' ' ' LYS . 48.4 mm-40 -69.55 -35.81 75.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.366 0.667 . . . . 99.99 111.382 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 38.2 tp -64.87 -34.24 77.91 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.051 0.54 . . . . 99.99 110.667 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.67 -91.61 0.1 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 t 52.31 27.4 4.76 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.895 1.278 . . . . 99.99 112.939 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt 74.34 -40.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.352 1.461 . . . . 99.99 111.403 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . 0.48 HD21 ' N ' ' E' ' 335' ' ' ASN . 0.8 OUTLIER -73.48 91.22 1.77 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.324 1.05 . . . . 99.99 109.806 -176.102 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 -157.09 0.75 Allowed 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.481 1.112 . . . . 99.99 108.454 173.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 66.04 92.97 0.07 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.104 0.961 . . . . 99.99 110.321 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.37 68.61 3.43 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.947 -0.569 . . . . 99.99 112.201 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -136.93 -75.34 0.42 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.963 0.905 . . . . 99.99 109.952 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -126.63 77.01 1.68 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.053 0.541 . . . . 99.99 109.99 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 49.5 tp 62.43 -85.43 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.692 1.197 . . . . 99.99 112.005 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -124.38 -73.76 0.63 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.701 -1.592 . . . . 99.99 106.701 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.2 157.06 41.5 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 C-N-CA 124.679 1.191 . . . . 99.99 108.257 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.16 114.29 11.18 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.328 -0.619 . . . . 99.99 109.328 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -158.42 83.98 0.13 Allowed Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.035 -0.826 . . . . 99.99 111.035 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -82.5 -23.92 34.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.377 0.671 . . . . 99.99 110.823 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 16.2 t 62.5 31.31 17.1 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.887 1.275 . . . . 99.99 110.992 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.8 113.27 43.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 N-CA-C 108.698 -0.853 . . . . 99.99 108.698 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.2 110.98 2.38 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 107.964 -1.124 . . . . 99.99 107.964 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -82.76 44.6 0.92 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.955 0.902 . . . . 99.99 110.5 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -98.73 89.9 4.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.153 0.981 . . . . 99.99 108.581 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . 0.615 ' HB2' ' HB2' ' E' ' 281' ' ' PHE . 3.9 p-10 -69.43 -17.6 63.66 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.249 1.02 . . . . 99.99 112.336 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.75 -9.01 45.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.731 0.812 . . . . 99.99 111.457 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -69.35 162.64 26.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.774 0.43 . . . . 99.99 110.862 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.38 -59.35 0.56 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.295 1.438 . . . . 99.99 111.536 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . 0.703 ' HA ' ' HA3' ' E' ' 279' ' ' GLY . 0.1 OUTLIER 68.78 150.82 0.12 Allowed Pre-proline 0 N--CA 1.487 1.411 0 C-N-CA 125.981 1.713 . . . . 99.99 111.381 175.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.428 ' HB3' ' HB1' ' C' ' 95' ' ' ALA . 73.0 Cg_endo -76.43 44.39 1.37 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.922 2.415 . . . . 99.99 114.262 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 16.2 p -75.43 -6.6 50.9 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.366 0.666 . . . . 99.99 111.514 173.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -73.43 170.68 52.22 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.204 0.315 . . . . 99.99 112.714 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -156.17 144.08 19.61 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.489 -0.56 . . . . 99.99 109.489 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 11.6 tt -75.41 125.69 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.034 0.445 . . . . 99.99 110.266 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' E' ' 427' ' ' SER . . . -101.44 78.82 0.39 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.122 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.92 179.56 8.56 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 119.007 -0.521 . . . . 99.99 111.585 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 86.4 m 86.64 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 127.189 2.196 . . . . 99.99 111.169 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 22.8 m -131.24 171.09 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.175 0.99 . . . . 99.99 109.902 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.82 117.97 4.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.079 0.952 . . . . 99.99 112.319 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . 0.578 ' H ' HD22 ' E' ' 367' ' ' LEU . 1.7 pt? -75.88 -14.6 60.27 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.098 0.777 . . . . 99.99 113.098 -174.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.67 -20.23 61.97 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.474 0.71 . . . . 99.99 111.259 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' E' ' 151' ' ' HIS . 25.0 tt0 -53.28 -23.65 9.56 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.658 1.183 . . . . 99.99 112.155 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.53 38.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.983 0.913 . . . . 99.99 112.736 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.88 -40.09 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.13 0.972 . . . . 99.99 111.195 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -66.45 -39.99 89.16 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.078 0.551 . . . . 99.99 110.395 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -36.76 78.37 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.398 -0.819 . . . . 99.99 108.976 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.92 -30.28 69.56 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.555 0.742 . . . . 99.99 111.7 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.53 -54.89 13.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.275 1.03 . . . . 99.99 109.785 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -23.0 61.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.177 0.591 . . . . 99.99 112.34 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.63 -50.08 34.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.52 66.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.203 0.601 . . . . 99.99 111.869 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -36.48 83.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.259 1.024 . . . . 99.99 109.852 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -62.42 99.77 0.16 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -142.06 -35.97 0.43 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.695 1.198 . . . . 99.99 108.512 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 86.18 -76.12 2.18 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.209 -0.905 . . . . 99.99 112.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -162.96 -30.9 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.674 0.39 . . . . 99.99 111.342 -170.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 64.0 p 67.98 -51.65 0.53 Allowed 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 126.815 2.046 . . . . 99.99 112.813 -174.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.53 73.46 0.75 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.93 0.892 . . . . 99.99 109.682 172.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 22.4 m -118.08 103.12 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-O 121.868 0.842 . . . . 99.99 109.64 -175.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 68.7 mt -126.54 98.44 4.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 17.8 m -111.7 122.93 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.454 1.101 . . . . 99.99 109.652 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 85.2 m -143.86 109.54 5.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.866 0.866 . . . . 99.99 108.808 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -155.84 89.22 1.15 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.66 119.04 19.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 99.99 109.366 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -156.13 -48.03 0.08 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.257 1.423 . . . . 99.99 108.622 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -146.68 89.18 1.81 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.374 0.67 . . . . 99.99 110.46 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -84.33 -33.38 23.9 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.019 0.528 . . . . 99.99 110.524 173.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . 0.405 ' HB2' HE21 ' E' ' 397' ' ' GLN . . . -78.52 -62.37 1.71 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.305 0.642 . . . . 99.99 111.52 -174.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 30.5 t 62.29 -75.26 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.012 1.325 . . . . 99.99 110.151 -167.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' E' ' 395' ' ' ALA . 78.3 mt-30 66.42 -70.83 0.1 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.304 1.441 . . . . 99.99 112.641 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 16.6 pt 52.31 25.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 126.782 2.033 . . . . 99.99 113.501 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 45.9 t 55.39 79.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.744 1.218 . . . . 99.99 109.917 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.404 ' HB2' ' HD3' ' E' ' 401' ' ' PRO . . . -149.16 -46.11 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.181 0.993 . . . . 99.99 110.832 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.404 ' HD3' ' HB2' ' E' ' 400' ' ' ALA . 32.0 Cg_exo -63.15 175.5 2.5 Favored 'Trans proline' 0 C--N 1.399 3.197 0 C-N-CA 122.22 1.946 . . . . 99.99 112.765 165.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.0 -38.6 7.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.597 1.159 . . . . 99.99 112.5 172.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m 71.03 151.05 0.1 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.884 1.274 . . . . 99.99 111.564 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.431 ' HE2' ' H ' ' E' ' 174' ' ' GLN . 0.0 OUTLIER 75.78 -63.15 0.41 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.504 1.521 . . . . 99.99 110.759 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.33 99.78 22.27 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.792 0.837 . . . . 99.99 109.849 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.02 -22.64 22.66 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.765 2.31 . . . . 99.99 111.66 170.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.24 89.79 1.62 Allowed Glycine 0 C--N 1.348 1.229 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.73 90.85 2.88 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.029 0.532 . . . . 99.99 109.896 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 40.1 p -70.12 -22.77 62.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.792 -1.095 . . . . 99.99 112.295 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 20.3 pm0 -67.05 -18.91 65.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.252 0.621 . . . . 99.99 111.28 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -118.71 91.03 3.46 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.955 0.902 . . . . 99.99 108.577 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 57.6 tp -87.48 -67.74 0.8 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 99.99 110.687 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 75.25 -50.85 0.65 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.618 1.567 . . . . 99.99 113.501 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 75.7 p 55.21 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.524 1.53 . . . . 99.99 111.993 -170.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.91 170.87 8.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.446 1.098 . . . . 99.99 110.521 -174.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -96.45 -0.0 49.76 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.752 0.821 . . . . 99.99 110.812 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -66.07 80.6 0.1 Allowed Glycine 0 C--N 1.359 1.852 0 C-N-CA 123.43 0.538 . . . . 99.99 112.892 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -171.8 -38.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.333 1.453 . . . . 99.99 108.668 -175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.57 -31.7 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-N 115.12 -0.945 . . . . 99.99 110.722 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.7 ttp -146.95 117.72 7.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.415 1.086 . . . . 99.99 108.19 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.48 31.44 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.861 0.864 . . . . 99.99 109.694 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 52.3 ttm 79.63 -43.98 0.29 Allowed 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 126.224 1.81 . . . . 99.99 112.164 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 35.7 p -64.23 104.22 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.285 0.634 . . . . 99.99 110.242 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -130.24 -59.5 1.04 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.69 0.796 . . . . 99.99 109.781 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -150.42 67.09 0.35 Allowed Glycine 0 C--N 1.348 1.233 0 CA-C-N 116.207 -0.451 . . . . 99.99 112.241 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.6 -72.44 0.36 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.229 -1.026 . . . . 99.99 108.229 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 427' ' ' SER . . . . . 0.516 ' HA ' ' HA2' ' E' ' 362' ' ' GLY . 66.9 p 44.55 61.67 2.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.808 1.643 . . . . 99.99 114.616 174.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.11 49.11 1.37 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.47 -30.38 71.41 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.532 0.733 . . . . 99.99 110.851 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.94 -34.23 74.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.588 0.755 . . . . 99.99 110.535 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 15.0 m -85.95 -23.51 26.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.726 0.81 . . . . 99.99 110.498 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -67.47 -43.51 80.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.743 0.817 . . . . 99.99 109.607 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 67.31 108.7 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.1 1.36 . . . . 99.99 111.54 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -71.16 -55.44 8.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.231 1.013 . . . . 99.99 111.337 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m 44.98 -91.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.181 1.392 . . . . 99.99 112.058 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 68.75 96.18 0.05 OUTLIER Glycine 0 C--N 1.354 1.568 0 CA-C-O 119.953 -0.359 . . . . 99.99 113.378 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.1 p -86.27 116.97 24.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.093 0.557 . . . . 99.99 110.725 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -118.09 106.08 12.51 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.959 -0.756 . . . . 99.99 108.959 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.42 157.64 16.12 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.726 0.81 . . . . 99.99 110.493 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 70.36 -73.32 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.174 1.39 . . . . 99.99 111.524 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.8 mt 74.22 -60.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 125.619 1.567 . . . . 99.99 112.797 174.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -75.19 84.7 2.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.56 0.744 . . . . 99.99 111.492 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 61.65 -179.46 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.114 1.366 . . . . 99.99 113.313 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -102.94 -26.27 13.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.24 0.616 . . . . 99.99 110.116 169.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 34.81 -146.58 0.03 OUTLIER Glycine 0 CA--C 1.548 2.112 0 N-CA-C 116.617 1.407 . . . . 99.99 116.617 -171.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.22 141.03 50.76 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 123.586 2.857 . . . . 99.99 112.844 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . 0.836 ' HA ' ' HB ' ' A' ' 10' ' ' THR . 21.7 p80 -99.37 -35.65 9.86 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.08 0.77 . . . . 99.99 113.08 -173.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 65.1 -173.51 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.41 1.084 . . . . 99.99 112.179 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -155.21 116.9 4.07 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -153.7 -53.57 0.1 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.366 0.876 . . . . 99.99 113.366 -171.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.489 HG11 ' H ' ' A' ' 88' ' ' GLY . 11.9 p -109.37 147.32 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 118.226 0.466 . . . . 99.99 111.19 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.3 p -61.76 144.39 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.944 1.298 . . . . 99.99 112.244 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -110.7 170.56 14.02 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.614 -0.721 . . . . 99.99 112.11 174.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 98' ' ' LEU . 40.0 tp 61.89 95.13 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.351 1.46 . . . . 99.99 111.84 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 26.4 m -76.37 -65.35 0.94 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 172.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -143.82 163.79 32.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.754 1.221 . . . . 99.99 108.428 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -92.1 107.41 19.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 19.9 m -68.21 136.73 54.03 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.215 0.606 . . . . 99.99 110.174 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.81 156.57 35.19 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.974 0.51 . . . . 99.99 110.231 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.656 ' HG ' ' HA ' ' A' ' 45' ' ' ASP . 3.6 mm? -84.74 174.41 9.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.767 0.794 . . . . 99.99 112.059 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -104.44 -172.47 2.11 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.247 -1.342 . . . . 99.99 109.763 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -56.12 147.87 19.32 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.316 1.046 . . . . 99.99 113.66 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 67.9 p -104.3 138.38 40.82 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.018 -1.104 . . . . 99.99 108.018 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.06 159.82 37.72 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.2 0.6 . . . . 99.99 110.859 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 42.0 mtmt -122.85 112.06 17.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 170.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -111.54 102.27 10.62 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -74.88 117.39 16.67 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.919 -1.141 . . . . 99.99 107.919 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.776 HD23 HG21 ' E' ' 135' ' ' VAL . 14.7 mt -78.38 -4.16 46.78 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.524 0.73 . . . . 99.99 111.624 -170.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.16 -55.53 1.11 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 110.684 -0.967 . . . . 99.99 110.684 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.575 ' HG ' ' HD2' ' A' ' 38' ' ' PRO . 2.6 mm? 57.6 13.82 2.09 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.438 1.095 . . . . 99.99 111.799 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.248 0.988 0 N-CA-C 108.234 -1.024 . . . . 99.99 108.234 -169.489 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' N ' ' SD ' ' A' ' 1' ' ' MET . 13.3 t -87.91 -171.18 3.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.925 0.89 . . . . 99.99 111.7 -172.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 70.85 0.16 3.25 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.361 1.464 . . . . 99.99 112.349 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -81.34 -26.48 35.54 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.863 0.865 . . . . 99.99 110.681 -178.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.567 ' HB3' ' HB ' ' E' ' 441' ' ' ILE . 69.3 m-20 60.76 -131.66 0.79 Allowed 'General case' 0 CA--C 1.559 1.294 0 O-C-N 124.34 1.025 . . . . 99.99 110.687 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 67.48 -102.26 0.06 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.808 1.243 . . . . 99.99 110.536 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.502 HG23 ' HB ' ' E' ' 451' ' ' VAL . 99.0 m -155.15 129.31 8.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.585 0.354 . . . . 99.99 110.665 -168.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' HD13 ' A' ' 89' ' ' ILE . 39.2 mt-10 -131.42 8.07 4.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.379 1.071 . . . . 99.99 109.84 165.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.617 ' HG3' ' HB ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -90.1 156.89 18.05 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 118.229 -0.891 . . . . 99.99 108.754 -175.156 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 10.8 m -138.52 122.81 18.2 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 119.607 1.094 . . . . 99.99 111.421 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HB2' HG23 ' E' ' 452' ' ' VAL . 52.0 t80 -97.15 153.14 18.16 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.715 . . . . 99.99 111.863 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -169.35 127.75 0.98 Allowed 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.287 0.992 . . . . 99.99 110.036 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 99.99 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 34.4 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 17.02 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 50.99 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 18.45 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 13.15 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 6.92 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 22.19 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 43.73 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.703 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HG2' HG21 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 11.3 m170 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.703 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HZ3' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CH2' HD12 ' E' ' 470' ' ' LEU . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HG3' HD13 ' E' ' 470' ' ' LEU . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 63.88 112.933 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 73.6 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 99.99 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 50.91 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 67.81 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 99.99 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 81.17 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' E' ' 181' ' ' LEU . 27.7 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.23 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 75.11 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 32.98 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 27.21 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 28.74 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 35.81 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 19.33 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 29.68 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 25.47 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 80.58 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 99.99 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 40.21 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 30.66 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 59.79 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 30.86 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 20.96 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 21.28 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 80.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m -78.41 119.66 22.05 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.504 HD13 ' HB3' ' A' ' 9' ' ' MET . 8.6 tp -101.98 164.2 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 176.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -144.9 134.36 23.18 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.592 -0.693 . . . . 99.99 109.905 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.86 -41.41 2.13 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.942 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.617 ' HB ' ' HG3' ' A' ' 9' ' ' MET . 5.0 mp -149.6 146.8 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -143.46 176.06 9.46 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 107.727 -1.212 . . . . 99.99 107.727 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.78 -144.45 35.26 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 120.19 -0.228 . . . . 99.99 113.553 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.5 p -60.07 -33.51 72.18 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.438 1.273 . . . . 99.99 114.438 -167.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 89' ' ' ILE . 28.2 mm-40 -68.21 -36.99 80.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.011 0.524 . . . . 99.99 111.213 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.575 ' HE3' ' HA ' ' A' ' 94' ' ' MET . 0.8 OUTLIER -86.09 -21.21 27.79 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.973 0.509 . . . . 99.99 112.212 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 98' ' ' LEU . . . -61.78 -16.89 53.46 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.403 1.26 . . . . 99.99 114.403 -167.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.417 ' HA ' ' SD ' ' A' ' 138' ' ' MET . 6.4 p80 -63.3 -28.6 70.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.536 0.607 . . . . 99.99 111.257 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.722 ' SG ' HD22 ' E' ' 454' ' ' LEU . 38.7 t -80.26 -39.61 28.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.805 0.842 . . . . 99.99 111.214 171.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 95' ' ' ALA . 6.7 mp -69.79 -18.54 63.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.623 0.769 . . . . 99.99 110.449 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 99.99 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.466 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 99.99 112.086 -175.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 79.06 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 59.39 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 132' ' ' ASN . 27.5 t-20 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 99.99 111.921 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 83.34 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 42.55 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 17.98 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 13.2 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 36.0 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 15.85 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 19.0 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 5.43 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.511 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 18.83 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 22.63 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 6.65 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.462 ' SD ' HG22 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 88.83 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 51.92 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 39.96 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 11.33 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.423 HG22 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 32.89 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 19.39 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 30.18 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 90.79 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 93.81 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 77.99 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 85.02 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.594 ' HA ' ' HB3' ' E' ' 460' ' ' LEU . 19.0 m -134.43 120.03 31.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.459 ' OD1' ' HB3' ' A' ' 135' ' ' ALA . 2.4 t-20 -108.69 79.65 1.26 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.97 0.908 . . . . 99.99 110.717 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.666 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 7.9 m-30 -67.38 -25.27 65.88 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.204 0.526 . . . . 99.99 111.408 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.24 -36.35 77.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.068 -1.423 . . . . 99.99 111.204 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HB3' ' OD1' ' A' ' 132' ' ' ASN . . . -65.91 -29.8 70.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.711 0.804 . . . . 99.99 112.084 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.543 ' HG ' ' HB3' ' E' ' 462' ' ' TYR . 3.0 tm? -76.59 -29.6 56.63 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.639 -0.504 . . . . 99.99 109.639 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -65.89 -43.02 89.51 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.383 -0.599 . . . . 99.99 109.383 170.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 96' ' ' HIS . 34.3 tpp -68.21 -26.13 65.57 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.328 -0.851 . . . . 99.99 110.636 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 3.3 t-20 -66.09 -44.0 85.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.139 0.976 . . . . 99.99 109.162 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.24 -30.87 71.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.421 -1.263 . . . . 99.99 111.212 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.98 -53.16 61.11 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.687 0.617 . . . . 99.99 111.486 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -158.13 10.38 0.17 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 113.356 0.872 . . . . 99.99 113.356 -172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.527 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 83.8 mm-40 -104.85 37.34 2.18 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 123.022 0.529 . . . . 99.99 110.929 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -77.88 71.02 4.33 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.992 1.377 . . . . 99.99 110.543 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' E' ' 435' ' ' THR . . . -136.88 -165.9 1.82 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.448 -1.251 . . . . 99.99 109.571 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.7 74.75 0.58 Allowed Glycine 0 C--N 1.348 1.242 0 O-C-N 123.363 0.415 . . . . 99.99 112.363 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -167.37 -52.18 0.02 OUTLIER 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.449 1.099 . . . . 99.99 108.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.71 158.31 53.45 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.136 -0.938 . . . . 99.99 112.641 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 153' ' ' GLN . 9.8 t -69.16 166.95 17.19 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.556 0.743 . . . . 99.99 111.217 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.58 71.42 3.2 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.648 0.779 . . . . 99.99 111.191 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.41 13.14 0.85 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.565 1.546 . . . . 99.99 114.779 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -154.18 127.5 8.49 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.084 -1.45 . . . . 99.99 107.084 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.545 ' HA ' HG21 ' A' ' 149' ' ' THR . 18.0 mp0 -73.07 80.13 1.23 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.908 0.755 . . . . 99.99 109.462 -175.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t70 64.96 -70.94 0.08 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.77 1.628 . . . . 99.99 111.203 -172.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 123.955 0.902 . . . . 99.99 109.009 176.138 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.524 ' N ' ' HB3' ' B' ' 8' ' ' GLU . 22.1 ptm . . . . . 0 C--O 1.245 0.85 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.477 ' H ' HG13 ' E' ' 68' ' ' ILE . 32.6 t 72.38 170.34 0.32 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.95 1.3 . . . . 99.99 111.232 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 -23.44 33.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.121 0.568 . . . . 99.99 109.879 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -70.54 99.54 1.65 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.242 -0.89 . . . . 99.99 110.597 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 71.43 -70.66 0.15 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.606 1.562 . . . . 99.99 112.278 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -79.4 85.41 5.2 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.272 0.629 . . . . 99.99 110.197 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.5 m -56.88 -63.73 1.11 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.524 ' HB3' ' N ' ' B' ' 1' ' ' MET . 37.3 tt0 55.78 94.94 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 O-C-N 125.036 1.46 . . . . 99.99 112.075 162.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.46 ' SD ' HG13 ' B' ' 89' ' ' ILE . 12.3 tpt 66.71 169.42 0.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.262 1.025 . . . . 99.99 111.379 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -133.47 139.73 46.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.736 0.814 . . . . 99.99 109.141 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.527 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 -148.93 112.1 4.93 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 99.99 108.506 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.452 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 61.13 107.624 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.544 HE22 HG12 ' B' ' 55' ' ' VAL . 51.5 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 99.99 111.097 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HE ' HG22 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 99.99 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 22.84 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 25.35 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 18.25 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' B' ' 57' ' ' GLU . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 41.37 111.878 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.571 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 15.07 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.494 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 29.37 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 11.41 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 27.88 107.757 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.442 ' O ' HG11 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 51.27 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' ' 17' ' ' TYR . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.442 HG11 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.597 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.673 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 99.99 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.417 HG13 HD12 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 99.89 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 99.99 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.63 ' HA ' ' HA ' ' E' ' 384' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.59 HD21 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 99.99 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.683 ' HB2' ' HB ' ' E' ' 387' ' ' ILE . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 89.58 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 50.34 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 99.99 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 44.59 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 98.19 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 93.17 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.544 HG12 HE22 ' B' ' 14' ' ' GLN . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 98.7 108.143 175.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 99.99 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 85.08 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 32.75 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.59 HD21 HD21 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 89.85 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 99.99 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 30.69 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 50.25 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.451 HG21 HD12 ' B' ' 114' ' ' ILE . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 27.1 110.067 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 27.69 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 28.91 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 82.69 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 84.99 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 91.81 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 39.53 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.414 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 37.29 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 21.12 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 29.86 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 13.61 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.417 HG21 HD12 ' B' ' 21' ' ' ILE . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 13.23 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.527 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 36.68 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.458 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 12.8 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 51.05 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 99.23 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.413 HG13 HG13 ' E' ' 18' ' ' VAL . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 99.99 110.329 -169.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.46 HG13 ' SD ' ' B' ' 9' ' ' MET . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.643 ' HE1' HD21 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.656 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 99.37 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 67.76 112.553 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' B' ' 134' ' ' ASP . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 81.59 111.967 -175.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 55.65 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 48.03 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.648 HD22 ' HE2' ' E' ' 75' ' ' MET . 47.7 t-20 -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 99.99 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.478 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 59.06 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' B' ' 80' ' ' GLN . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 27.15 111.919 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 18.14 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 25.24 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 18.19 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 76.84 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 28.75 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.661 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 30.1 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 17.12 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.81 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 50.71 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.465 HG21 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 23.64 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 49.99 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 17' ' ' TYR . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 33.79 112.813 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 28.26 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 39.05 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.582 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.417 HD12 HG13 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 99.99 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 99.99 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.602 HD12 HD13 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 99.99 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 64.44 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 75.43 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.487 HG21 ' HA3' ' E' ' 76' ' ' GLY . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.99 111.221 -174.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.613 HD22 ' HB2' ' B' ' 104' ' ' ASN . 14.5 m120 -111.87 115.16 28.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' B' ' 136' ' ' LEU . 34.8 p90 -67.07 -4.49 10.06 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.216 1.006 . . . . 99.99 112.862 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.563 ' HB2' ' HB1' ' B' ' 100' ' ' ALA . 36.7 t70 -52.7 -49.13 65.94 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.805 1.242 . . . . 99.99 113.485 -175.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.85 -22.75 66.91 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.312 0.645 . . . . 99.99 112.311 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' B' ' 133' ' ' PHE . 41.5 tp -53.88 -42.45 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.366 1.066 . . . . 99.99 111.048 174.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -71.38 -20.14 62.18 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.371 0.668 . . . . 99.99 112.263 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -36.28 20.93 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.299 0.64 . . . . 99.99 109.561 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.68 -17.93 32.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.161 0.984 . . . . 99.99 111.681 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -66.44 -15.01 63.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.467 1.107 . . . . 99.99 111.289 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.95 35.49 0.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.518 1.127 . . . . 99.99 111.019 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 59.63 35.06 22.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.346 1.058 . . . . 99.99 109.675 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 61.58 89.13 0.08 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.163 -1.38 . . . . 99.99 110.166 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.97 -24.93 66.11 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.66 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.29 -13.61 61.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.327 1.051 . . . . 99.99 112.179 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 174.27 78.23 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 N-CA-C 110.88 -0.888 . . . . 99.99 110.88 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.38 94.27 0.26 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.547 -0.908 . . . . 99.99 108.547 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.1 -56.23 21.79 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.604 -0.725 . . . . 99.99 112.234 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 56.0 m 60.94 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.359 1.019 0 C-N-CA 124.812 1.245 . . . . 99.99 110.416 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.73 20.36 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.206 1.002 . . . . 99.99 110.477 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.89 -37.12 78.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.726 0.81 . . . . 99.99 110.685 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 69.43 -177.58 0.21 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.712 1.205 . . . . 99.99 109.806 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 80.92 -53.01 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.467 1.507 . . . . 99.99 110.357 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 45.99 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.031 1.732 . . . . 99.99 113.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.586 -0.894 . . . . 99.99 108.586 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 111.048 0.018 . . . . 99.99 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -151.34 12.57 0.64 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.798 0.439 . . . . 99.99 111.389 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.8 116.39 16.46 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 62.35 8.31 2.71 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.002 0.921 . . . . 99.99 112.204 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.15 71.49 10.88 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.602 0.761 . . . . 99.99 110.05 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -125.7 -10.02 6.74 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.219 -0.9 . . . . 99.99 110.038 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p 50.88 77.52 0.13 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.95 1.7 . . . . 99.99 112.545 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.44 137.32 53.99 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.538 0.735 . . . . 99.99 109.815 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.621 ' SD ' ' HB2' ' C' ' 97' ' ' CYS . 26.7 ttt 64.3 126.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.426 1.49 . . . . 99.99 113.472 176.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.2 m -120.2 96.2 5.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.256 0.622 . . . . 99.99 109.87 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -115.44 159.03 21.67 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.471 ' HA ' ' HB2' ' E' ' 138' ' ' TYR . 46.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 82.71 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 99.99 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.495 HG22 HD23 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 17.72 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 9.52 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 51.3 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.605 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 13.13 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 15.89 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 10.19 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 26.52 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . 0.449 ' O ' ' HA ' ' E' ' 361' ' ' ILE . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 43.6 111.537 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 57.64 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 78.76 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' E' ' 301' ' ' ILE . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.698 ' HB3' ' HB2' ' E' ' 366' ' ' ASP . 10.7 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.449 ' HG3' HD13 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 99.99 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 72.29 110.09 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 99.99 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 99.99 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 99.99 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 90.89 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 55.92 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 78.18 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 57.25 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.535 HD13 HD13 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 99.99 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 97.58 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 43.88 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 30.1 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.543 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 99.67 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 31.81 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.679 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.79 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 29.1 108.115 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.441 HG21 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 36.6 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 38.08 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 65.72 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.504 HD21 ' H ' ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 83.21 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 40.89 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 38.89 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 66.65 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.441 HD23 HG21 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 32.91 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.541 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 14.84 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 26.52 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 12.17 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 39.17 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.06 127.89 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.74 -172.53 4.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.886 0.874 . . . . 99.99 109.85 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.69 36.29 91.07 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 123.351 0.501 . . . . 99.99 112.894 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.511 ' HB ' ' HG2' ' C' ' 94' ' ' MET . 0.2 OUTLIER -75.53 109.79 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.708 0.766 . . . . 99.99 112.429 -167.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.472 ' H ' ' HB3' ' C' ' 94' ' ' MET . 58.7 mm-40 -108.46 69.8 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.566 0.747 . . . . 99.99 110.947 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.9 -110.84 1.05 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 114.988 0.755 . . . . 99.99 114.988 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 13.4 m -74.41 -29.61 61.59 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.909 0.884 . . . . 99.99 111.47 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' E' ' 157' ' ' MET . 5.9 tp60 -68.92 -46.52 68.07 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 99.99 111.957 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.511 ' HG2' ' HB ' ' C' ' 89' ' ' ILE . 3.9 ppp? -59.53 -32.62 70.48 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.343 0.592 . . . . 99.99 111.411 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.42 68.58 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.856 -1.066 . . . . 99.99 112.324 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -72.46 -53.87 10.92 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.714 . . . . 99.99 110.617 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.621 ' HB2' ' SD ' ' C' ' 9' ' ' MET . 38.7 m -62.78 -37.17 85.6 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.398 0.679 . . . . 99.99 111.643 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 81.7 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' C' ' 134' ' ' ASP . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 68.22 110.796 -175.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.48 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 85.73 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 52.77 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . 0.591 HD22 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.445 HD13 ' NH1' ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 18.22 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.543 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 62.78 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 20.21 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 17.97 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 10.09 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 18.56 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 31.03 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.458 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 26.09 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.443 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 21.24 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 14.3 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 10.17 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.56 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 12.08 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 54.79 109.652 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 23.93 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.473 HG21 ' HB3' ' D' ' 17' ' ' TYR . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 27.3 112.608 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 36.76 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 44.0 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.498 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 92.07 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 43.42 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 64.09 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 45.54 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 40.22 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 98.11 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . 0.591 ' HB2' HD22 ' C' ' 104' ' ' ASN . 44.5 m-85 -70.64 -32.81 70.26 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' C' ' 100' ' ' ALA . 23.7 t70 -64.89 -34.4 78.3 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 114.535 -1.211 . . . . 99.99 111.366 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.478 0.711 . . . . 99.99 111.787 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.82 -48.94 78.29 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.376 1.048 . . . . 99.99 109.849 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -75.26 -32.23 61.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.372 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 54.5 ttm -57.65 -30.17 65.18 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.585 1.154 . . . . 99.99 112.008 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -58.6 -31.62 68.24 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.273 1.029 . . . . 99.99 112.901 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . 0.402 ' HE2' HE22 ' C' ' 93' ' ' GLN . 1.1 p90 -28.27 -76.98 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 126.665 1.986 . . . . 99.99 115.251 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.66 149.11 36.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.65 0.78 . . . . 99.99 112.756 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -93.79 -52.91 4.23 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.062 -0.972 . . . . 99.99 108.919 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 68.19 -73.3 0.09 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.238 1.415 . . . . 99.99 111.583 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 76.02 -64.23 0.36 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.979 1.712 . . . . 99.99 111.267 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.76 104.06 2.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.695 0.798 . . . . 99.99 110.329 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 176.38 -52.57 0.11 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.635 -0.586 . . . . 99.99 111.635 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -143.99 145.85 32.5 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.442 -0.947 . . . . 99.99 108.442 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.62 -93.53 0.14 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 110.449 -1.061 . . . . 99.99 110.449 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 20.3 m -141.33 165.55 27.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.394 -1.336 . . . . 99.99 107.394 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 72.25 61.39 0.13 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.194 0.997 . . . . 99.99 109.119 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.13 -52.47 48.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.849 -1.523 . . . . 99.99 108.983 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -174.35 41.81 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.845 1.258 . . . . 99.99 108.507 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -87.54 -6.25 58.42 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.223 -0.899 . . . . 99.99 110.092 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.58 -1.76 35.64 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.101 1.36 . . . . 99.99 111.601 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.316 0 C-N-CA 123.823 0.849 . . . . 99.99 110.495 176.59 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.016 -0.735 . . . . 99.99 109.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t 59.71 91.06 0.05 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.047 1.339 . . . . 99.99 112.016 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.11 -68.24 0.94 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.99 -1.115 . . . . 99.99 107.99 172.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -159.96 -170.65 2.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.159 0.583 . . . . 99.99 109.647 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 75.96 104.24 0.07 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 125.111 1.364 . . . . 99.99 109.839 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . 0.586 ' HB2' ' HA2' ' D' ' 88' ' ' GLY . 17.5 m120 58.41 -159.95 0.27 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.534 1.133 . . . . 99.99 111.069 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 89.8 m -143.01 -32.94 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.035 0.934 . . . . 99.99 109.308 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -114.43 105.41 13.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.205 1.002 . . . . 99.99 109.284 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.624 ' HE1' HG12 ' D' ' 89' ' ' ILE . 24.4 ttt -34.92 131.64 0.37 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.828 1.251 . . . . 99.99 114.275 171.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -106.72 135.47 48.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.154 0.982 . . . . 99.99 108.403 169.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.422 ' HD2' HG21 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 79.57 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . 0.559 ' HA ' ' HA ' ' E' ' 304' ' ' PRO . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 99.99 110.888 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.451 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 81.0 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.473 ' HB3' HG21 ' C' ' 122' ' ' THR . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 28.79 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 14.92 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 58.5 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.56 HG23 ' HE1' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 14.63 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 15.53 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.605 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 6.05 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 14.28 108.433 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 16.78 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 22.87 113.745 -170.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' C' ' 83' ' ' ILE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 21.13 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 30.2 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 64.18 113.187 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.499 ' HB3' ' NE1' ' E' ' 131' ' ' TRP . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.536 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 34.41 109.575 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 54.02 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . 0.477 HE21 ' HD2' ' D' ' 38' ' ' PRO . 33.2 tp60 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.477 ' HD2' HE21 ' D' ' 37' ' ' GLN . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 34.31 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 83.42 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 99.99 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.508 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 97.22 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.584 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.526 HG21 ' HB ' ' E' ' 107' ' ' THR . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 99.99 109.369 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 62.54 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 55.71 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 61.91 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.99 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.504 HD12 HG23 ' E' ' 365' ' ' VAL . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 93.38 108.766 -178.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 99.99 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 99.99 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 71.26 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 36.06 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 79.92 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.584 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 22.5 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 23.18 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 24.43 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 32.61 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . 0.457 ' HB2' HG11 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 25.12 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.452 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 49.15 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 32.34 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 33.15 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 19.1 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.452 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 12.32 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 8.66 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 19.44 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 10.02 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 29.4 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.3 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . 0.428 ' HA3' HG21 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 65.32 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 99.99 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.447 HG13 HD12 ' E' ' 97' ' ' ILE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 99.99 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' D' ' 6' ' ' ASN . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.624 HG12 ' HE1' ' D' ' 9' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.525 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 99.99 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.481 ' SG ' ' HE3' ' D' ' 9' ' ' MET . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 99.99 111.962 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.63 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . 0.494 ' HA3' HD21 ' E' ' 102' ' ' LEU . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 70.12 113.885 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 64.46 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 46.86 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 45.41 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 38.42 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 87.71 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 35.35 110.978 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 21.86 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 12.38 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 8.42 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 15.0 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . 0.414 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 17.35 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 12.17 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.56 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.503 HG21 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 19.17 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 19.58 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 14.23 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.445 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 6.04 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 19.19 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 16.36 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 7.12 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 35.79 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.78 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 27.88 113.083 172.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . 0.43 ' HB3' ' HB1' ' E' ' 128' ' ' ALA . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 17.97 111.819 -172.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 33.77 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' E' ' 126' ' ' ALA . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 99.99 108.679 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.516 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 35.86 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 48.78 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.466 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 48.18 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 95.86 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.604 ' ND2' ' HB3' ' D' ' 135' ' ' ALA . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.591 ' HA ' HD11 ' D' ' 136' ' ' LEU . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . 0.694 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 -54.96 -38.52 67.87 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.604 ' HB3' ' ND2' ' D' ' 132' ' ' ASN . . . -57.51 -34.95 69.63 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 124.082 0.864 . . . . 99.99 111.844 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' E' ' 120' ' ' TYR . 6.3 mp -64.7 -50.26 67.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.462 0.705 . . . . 99.99 109.766 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.414 ' HE2' ' HB3' ' E' ' 109' ' ' TYR . 80.6 m-85 -67.91 -34.66 77.06 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.178 -0.919 . . . . 99.99 109.846 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.511 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 26.4 ttm -64.4 -38.3 90.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.401 1.08 . . . . 99.99 109.86 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . 0.437 ' HA ' ' HG2' ' D' ' 142' ' ' GLN . 11.6 m120 -58.59 -40.36 82.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.981 0.912 . . . . 99.99 110.998 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -70.56 -34.38 72.15 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.968 0.793 . . . . 99.99 110.936 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.97 -32.43 39.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.829 0.852 . . . . 99.99 111.4 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' D' ' 139' ' ' ASN . 19.9 pt20 -89.61 12.55 16.44 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.6 0.76 . . . . 99.99 110.909 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -119.04 81.92 1.78 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 -172.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.66 66.84 1.34 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.251 -1.018 . . . . 99.99 108.251 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.11 171.44 20.15 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 113.652 -1.613 . . . . 99.99 108.879 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . 0.445 ' O ' HG21 ' D' ' 149' ' ' THR . . . -73.29 78.48 0.82 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 111.748 -0.541 . . . . 99.99 111.748 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 61.92 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.029 1.332 . . . . 99.99 111.054 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 51.43 0.46 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.219 -0.752 . . . . 99.99 111.219 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 149' ' ' THR . . . . . 0.445 HG21 ' O ' ' D' ' 146' ' ' GLY . 11.3 p -55.49 -70.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.996 0.919 . . . . 99.99 110.914 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -178.9 161.86 1.23 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.35 1.06 . . . . 99.99 109.052 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.75 165.31 25.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.504 0.722 . . . . 99.99 110.82 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -82.42 75.43 9.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -52.56 7.01 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 106.074 -1.824 . . . . 99.99 106.074 168.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.31 76.43 0.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.548 1.539 . . . . 99.99 111.438 166.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.035 -0.984 . . . . 99.99 108.852 177.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' E' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.31 -0.626 . . . . 99.99 109.31 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.425 ' HZ3' ' HA ' ' E' ' 79' ' ' GLU . 2.5 pptp? -164.93 147.05 8.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.317 0.647 . . . . 99.99 110.38 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -136.08 -173.55 3.42 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.31 1.044 . . . . 99.99 109.621 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -92.37 -170.39 2.49 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.018 0.927 . . . . 99.99 109.708 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.405 HG23 ' HG2' ' E' ' 379' ' ' LYS . 91.9 m -71.37 -28.17 63.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.37 0.668 . . . . 99.99 110.607 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.428 HD11 HD21 ' B' ' 128' ' ' LEU . 9.1 tp -131.74 128.65 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.891 -165.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 77.24 127.56 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.302 1.593 . . . . 99.99 115.302 161.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.411 HD11 HG22 ' B' ' 131' ' ' VAL . 80.6 mt 68.93 177.05 0.27 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.968 1.707 . . . . 99.99 114.333 166.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.09 -163.2 0.59 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.333 -1.303 . . . . 99.99 109.589 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.07 -15.64 57.9 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.782 0.833 . . . . 99.99 111.34 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mp 70.92 169.13 0.12 Allowed Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 124.392 1.077 . . . . 99.99 111.387 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.1 3.87 5.8 Favored 'Trans proline' 0 C--N 1.385 2.478 0 C-N-CA 122.359 2.04 . . . . 99.99 113.485 171.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 70.72 157.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.787 1.235 . . . . 99.99 111.829 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 69.56 154.95 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.861 1.264 . . . . 99.99 112.751 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.479 ' CD1' ' HE2' ' B' ' 94' ' ' MET . 3.4 t80 -155.79 110.98 2.96 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 104.991 -2.226 . . . . 99.99 104.991 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 24.6 p -58.18 146.47 70.02 Favored Pre-proline 0 N--CA 1.483 1.213 0 CA-C-O 118.073 -0.965 . . . . 99.99 110.981 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -38.79 155.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 125.102 3.868 . . . . 99.99 115.856 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.413 HG13 HG13 ' B' ' 86' ' ' ILE . 2.0 t -64.91 89.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.334 0.654 . . . . 99.99 109.671 -171.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 6.2 t 177.05 -31.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.451 1.5 . . . . 99.99 109.334 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.577 ' HZ2' ' HB2' ' E' ' 20' ' ' LYS . 5.0 ttmp? -153.82 159.07 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.874 0.869 . . . . 99.99 108.734 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.43 98.58 3.1 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.433 -0.58 . . . . 99.99 109.433 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -168.14 106.71 0.5 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.404 -1.332 . . . . 99.99 107.404 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.5 p -74.61 116.59 54.85 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.946 -0.57 . . . . 99.99 109.864 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.11 127.66 18.88 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 122.021 1.814 . . . . 99.99 109.521 173.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 89.83 2.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.632 0.373 . . . . 99.99 110.207 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.484 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 0.0 OUTLIER -161.86 -49.66 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.812 0.845 . . . . 99.99 109.096 178.591 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 43.8 Cg_exo -61.63 -14.33 35.08 Favored 'Trans proline' 0 C--N 1.398 3.163 0 C-N-CA 121.8 1.667 . . . . 99.99 113.002 166.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p 41.41 98.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.473 1.909 . . . . 99.99 113.496 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp 73.49 -72.69 0.11 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.982 1.313 . . . . 99.99 110.544 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -157.33 119.9 3.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.397 0.679 . . . . 99.99 110.275 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 67.81 -73.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.308 1.443 . . . . 99.99 111.006 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -167.58 -46.23 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.212 1.405 . . . . 99.99 108.069 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.66 22.11 12.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.565 1.146 . . . . 99.99 113.307 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.58 49.23 1.43 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.482 0.713 . . . . 99.99 111.212 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -149.94 -26.7 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.797 1.639 . . . . 99.99 109.196 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.77 -10.08 74.96 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 115.99 -0.55 . . . . 99.99 113.154 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.28 83.02 7.56 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.787 0.804 . . . . 99.99 110.071 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.99 -37.85 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 114.239 -1.346 . . . . 99.99 109.102 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -128.65 -30.98 2.26 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.614 0.766 . . . . 99.99 109.992 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.416 ' HB3' ' HD2' ' E' ' 41' ' ' PRO . . . 64.18 170.59 0.09 OUTLIER Pre-proline 0 C--N 1.373 1.603 0 C-N-CA 124.47 1.108 . . . . 99.99 110.541 -175.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' E' ' 40' ' ' ALA . 17.5 Cg_endo -57.58 -9.35 5.23 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 121.817 1.678 . . . . 99.99 114.113 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.06 -65.76 2.55 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.146 0.403 . . . . 99.99 112.189 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.84 -8.57 82.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 123.887 0.404 . . . . 99.99 113.793 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -148.27 169.52 19.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.233 1.013 . . . . 99.99 109.727 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 66.01 83.86 0.16 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.676 1.235 . . . . 99.99 111.445 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 71.08 -72.77 0.11 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.127 1.371 . . . . 99.99 113.401 162.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.84 -20.16 21.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 125.095 1.358 . . . . 99.99 112.721 -172.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 18.7 m -44.64 -41.03 6.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.012 1.325 . . . . 99.99 113.35 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.13 0.09 OUTLIER Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.927 -0.869 . . . . 99.99 110.927 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.38 79.24 5.84 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 121.742 0.782 . . . . 99.99 110.848 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -93.23 -32.53 14.32 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.593 -1.185 . . . . 99.99 107.963 162.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.17 -19.34 62.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.618 1.567 . . . . 99.99 114.398 -167.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.03 68.97 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.909 0.707 . . . . 99.99 112.909 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.01 2.9 0.11 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.395 0.887 . . . . 99.99 113.395 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp 73.22 -31.7 0.23 Allowed 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.442 1.497 . . . . 99.99 113.306 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -52.88 118.94 4.06 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.025 1.33 . . . . 99.99 112.337 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.57 112.96 11.27 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.937 -1.029 . . . . 99.99 109.061 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.7 p -138.18 -101.29 0.18 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.439 -0.948 . . . . 99.99 108.439 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 91.0 mt 46.31 -96.51 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.609 1.164 . . . . 99.99 111.929 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m 73.25 -36.0 0.34 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.46 1.504 . . . . 99.99 113.848 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.4 -87.58 0.02 OUTLIER 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.674 1.19 . . . . 99.99 109.948 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -164.11 81.67 1.37 Allowed Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -87.86 11.53 3.12 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.508 2.806 . . . . 99.99 112.876 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.21 152.54 46.07 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 124.271 1.028 . . . . 99.99 109.029 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 172.3 10.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.165 -0.679 . . . . 99.99 109.165 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -132.69 177.95 7.23 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 99.99 109.379 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.429 HD11 ' H ' ' E' ' 68' ' ' ILE . 0.4 OUTLIER 79.83 147.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.214 0 O-C-N 125.243 1.589 . . . . 99.99 111.162 174.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . 0.477 HG13 ' H ' ' B' ' 2' ' ' SER . 12.3 tt -95.34 -29.74 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.422 1.089 . . . . 99.99 110.658 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' E' ' 68' ' ' ILE . 34.6 mt -87.29 106.07 17.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.028 0.931 . . . . 99.99 110.021 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.4 ' H ' ' ND2' ' D' ' 132' ' ' ASN . 40.8 tp -77.9 80.92 4.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 77.7 mt -139.03 -71.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 109.714 -173.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.33 44.47 2.13 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 116.031 -0.531 . . . . 99.99 112.423 -172.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.29 -175.4 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.082 0.953 . . . . 99.99 111.292 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.85 80.72 0.18 Allowed Glycine 0 C--N 1.354 1.545 0 O-C-N 123.2 0.312 . . . . 99.99 112.827 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 75' ' ' MET . . . . . 0.648 ' HE2' HD22 ' B' ' 104' ' ' ASN . 19.2 ptt? -105.23 83.3 1.95 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.132 0.968 . . . . 99.99 108.591 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . 0.487 ' HA3' HG21 ' B' ' 131' ' ' VAL . . . 155.63 141.15 3.14 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.157 -0.929 . . . . 99.99 111.489 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.13 120.36 10.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.376 -0.601 . . . . 99.99 109.376 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 24.4 m -81.49 -17.45 48.58 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.77 0.668 . . . . 99.99 112.199 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.425 ' HA ' ' HZ3' ' E' ' 2' ' ' LYS . 11.0 tp10 -88.2 -61.49 1.7 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-N 117.58 0.173 . . . . 99.99 110.917 -173.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 59.5 mt 53.94 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.914 . . . . 99.99 108.67 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -69.34 82.75 0.37 Allowed 'General case' 0 CA--C 1.556 1.207 0 CA-C-O 121.751 0.786 . . . . 99.99 111.49 -169.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.21 -31.19 8.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.158 1.383 . . . . 99.99 108.616 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.44 150.79 35.3 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.807 -1.088 . . . . 99.99 109.054 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -86.51 63.41 7.97 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 109.111 -0.7 . . . . 99.99 109.111 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -172.05 -77.25 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.167 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.98 177.72 7.44 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.145 0.978 . . . . 99.99 108.984 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.79 104.37 0.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.632 0.773 . . . . 99.99 109.197 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.03 111.15 7.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.666 0.787 . . . . 99.99 110.577 -176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.21 141.6 29.24 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.764 0.665 . . . . 99.99 113.07 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.59 -169.02 2.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.027 0.931 . . . . 99.99 109.902 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . 0.47 ' HA3' ' HG2' ' E' ' 304' ' ' PRO . . . -146.18 161.8 28.34 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.407 -0.36 . . . . 99.99 112.265 176.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.2 154.41 10.45 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.801 -0.52 . . . . 99.99 111.801 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -91.4 149.45 21.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 99.99 109.363 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -94.54 164.3 13.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.355 0.662 . . . . 99.99 111.038 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -128.43 111.53 13.4 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.775 -0.824 . . . . 99.99 108.775 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.79 -71.16 0.04 OUTLIER Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.532 HD11 HD13 ' E' ' 100' ' ' LEU . 15.1 pt -87.37 92.36 3.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.85 0.833 . . . . 99.99 109.862 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.63 -66.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.417 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.3 115.11 13.44 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.532 HD13 HD11 ' E' ' 97' ' ' ILE . 35.6 tp -137.57 78.92 36.46 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -92.68 161.62 2.84 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 122.709 2.273 . . . . 99.99 111.31 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.494 HD21 ' HA3' ' D' ' 99' ' ' GLY . 0.8 OUTLIER -101.16 80.57 2.13 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.524 -1.287 . . . . 99.99 107.524 174.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p 56.8 -77.27 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.953 1.701 . . . . 99.99 113.273 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.91 -27.76 0.73 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 110.766 -0.934 . . . . 99.99 110.766 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.34 20.66 3.7 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.247 1.019 . . . . 99.99 110.878 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 64.41 -82.12 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.264 1.425 . . . . 99.99 109.952 -172.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 107' ' ' THR . . . . . 0.526 ' HB ' HG21 ' D' ' 46' ' ' THR . 30.1 m -150.1 7.8 0.62 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.161 0.984 . . . . 99.99 109.108 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.22 80.96 4.61 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.872 0.844 . . . . 99.99 111.352 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.414 ' HB3' ' HE2' ' D' ' 137' ' ' PHE . 76.1 t80 -134.39 -10.4 2.51 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.997 1.319 . . . . 99.99 108.38 168.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -144.75 -160.78 1.18 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.197 1.399 . . . . 99.99 108.183 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 mp 63.81 25.01 13.96 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 124.175 0.99 . . . . 99.99 110.81 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.39 -32.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.733 0.813 . . . . 99.99 110.161 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -73.59 90.8 1.8 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.719 0.771 . . . . 99.99 110.573 -172.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -77.65 133.61 38.35 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.268 -1.333 . . . . 99.99 110.027 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 30.3 p -126.06 -52.99 1.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.069 0.948 . . . . 99.99 108.482 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.41 -50.7 0.02 OUTLIER Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.413 -1.875 . . . . 99.99 108.413 172.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.54 158.27 85.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.27 -0.965 . . . . 99.99 109.224 167.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.48 54.62 5.1 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.905 2.403 . . . . 99.99 109.863 168.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . 0.274 0.7 OUTLIER 41.63 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 126.582 1.953 . . . . 99.99 112.339 -162.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.614 ' HB3' HD13 ' D' ' 136' ' ' LEU . 21.5 t80 -159.3 15.66 0.16 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.217 0.607 . . . . 99.99 110.424 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.79 112.62 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.785 0.834 . . . . 99.99 110.79 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 35.6 m 68.31 105.34 0.05 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.219 1.408 . . . . 99.99 111.798 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.85 -45.62 74.07 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.316 0.646 . . . . 99.99 110.407 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 17.8 t -165.06 -169.81 1.76 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.041 0.937 . . . . 99.99 109.319 -175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.23 101.65 3.41 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.349 0.66 . . . . 99.99 109.741 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' D' ' 127' ' ' ASN . . . -78.0 100.82 6.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.425 0.69 . . . . 99.99 110.479 -177.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.0 m -88.7 131.03 35.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.242 0.617 . . . . 99.99 110.855 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' D' ' 125' ' ' GLN . . . -146.1 96.57 2.81 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.705 -0.85 . . . . 99.95 108.705 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.78 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 11.1 t -89.55 142.07 28.01 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.123 -175.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.35 151.0 2.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.085 0.954 . . . . 99.99 109.916 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.499 ' NE1' ' HB3' ' D' ' 32' ' ' PHE . 29.8 t90 -152.9 149.66 28.48 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.771 0.429 . . . . 99.99 111.001 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -60.56 166.02 3.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.314 1.445 . . . . 99.99 114.327 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.422 HG22 HD11 ' E' ' 470' ' ' LEU . 11.6 t -139.56 164.84 28.83 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 114.887 -1.051 . . . . 99.99 109.941 174.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.34 106.51 2.67 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.973 -0.851 . . . . 99.66 110.973 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.441 HG11 HD23 ' A' ' 128' ' ' LEU . 4.3 p -87.48 117.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.116 -0.698 . . . . 99.99 109.116 176.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tptp 66.86 142.94 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.019 1.328 . . . . 99.99 110.834 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p -84.85 35.29 0.56 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.659 -0.651 . . . . 99.99 110.895 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.471 ' HB2' ' HA ' ' C' ' 12' ' ' GLN . 17.1 t80 59.17 -176.81 0.09 Allowed 'General case' 0 C--N 1.363 1.162 0 C-N-CA 124.842 1.257 . . . . 99.99 109.233 -168.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . 0.457 HD21 ' HA2' ' E' ' 143' ' ' GLY . 70.0 m-20 -114.66 -77.86 0.57 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.553 -0.717 . . . . 99.99 109.61 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.36 124.6 0.72 Allowed Glycine 0 C--N 1.342 0.877 0 N-CA-C 110.111 -1.196 . . . . 99.99 110.111 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.0 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 124.762 1.225 . . . . 99.99 110.207 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.33 -73.43 0.66 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.13 -1.063 . . . . 99.99 108.13 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' E' ' 139' ' ' ASN . . . -146.99 67.14 0.4 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 115.81 -0.632 . . . . 99.99 114.173 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.9 p -158.93 100.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-O 120.965 0.412 . . . . 99.99 110.395 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -97.08 108.35 21.07 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 109.781 -0.451 . . . . 99.99 109.781 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 tt 178.95 120.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.117 1.367 . . . . 99.99 108.433 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -142.49 111.21 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.207 -0.664 . . . . 99.99 109.207 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . 0.599 ' HG3' ' HG3' ' E' ' 149' ' ' LYS . 9.6 tp10 -65.37 -73.64 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.156 0.982 . . . . 99.99 110.289 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.599 ' HG3' ' HG3' ' E' ' 148' ' ' GLU . 98.6 mttt -128.74 122.97 31.81 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 107.634 -1.247 . . . . 99.99 107.634 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.74 109.62 8.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.237 0.615 . . . . 99.99 111.079 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -99.32 125.95 39.49 Favored Pre-proline 0 C--O 1.237 0.428 0 N-CA-C 107.307 -1.368 . . . . 99.99 107.307 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.06 -171.08 0.32 Allowed 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.254 1.969 . . . . 99.99 112.167 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 153' ' ' THR . . . . . 0.502 HG21 ' HB2' ' E' ' 157' ' ' MET . 24.6 m -73.17 74.63 1.27 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 121.587 0.708 . . . . 99.99 109.88 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 44.5 mt -90.02 -58.14 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.455 1.102 . . . . 99.99 109.775 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.96 -63.37 1.23 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 113.376 -1.738 . . . . 99.99 110.725 -168.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.64 -85.98 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.941 -0.763 . . . . 99.99 108.941 -172.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.502 ' HB2' HG21 ' E' ' 153' ' ' THR . 1.7 mpt? 59.32 49.12 9.29 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.505 1.122 . . . . 99.99 111.907 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 56.83 26.61 11.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.9 1.28 . . . . 99.99 112.941 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -74.9 -38.19 61.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.344 1.058 . . . . 99.99 109.669 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -75.75 -15.09 60.32 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.859 -1.064 . . . . 99.99 111.943 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 63.48 68.33 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.929 1.291 . . . . 99.99 110.605 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.95 65.38 3.91 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.012 -0.995 . . . . 99.99 111.928 -176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 36.0 tp -142.91 113.99 7.71 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -147.46 -45.21 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.41 0.684 . . . . 99.99 110.612 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.9 t -65.72 -28.53 69.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.063 0.545 . . . . 99.99 111.43 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 79.6 -70.32 2.87 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.982 -0.447 . . . . 99.99 111.982 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 80.26 -60.26 0.29 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.006 1.722 . . . . 99.99 112.011 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 59.3 t 61.58 -83.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.875 1.27 . . . . 99.99 111.219 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 30.0 t -164.19 -75.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.058 0.943 . . . . 99.99 109.562 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 27.6 p -56.02 121.92 10.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.364 1.065 . . . . 99.99 112.433 -170.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.32 54.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.081 0.552 . . . . 99.99 110.34 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . 0.687 ' HB3' ' HB3' ' E' ' 175' ' ' ASP . 12.9 tp10 -150.04 167.74 25.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.806 1.243 . . . . 99.99 107.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 68.0 tp -47.36 -51.8 18.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 99.99 110.587 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.7 91.55 2.78 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 167.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . 0.687 ' HB3' ' HB3' ' E' ' 172' ' ' GLU . 8.7 p-10 -98.94 170.89 8.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.965 0.506 . . . . 99.99 110.401 174.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 69.5 160.75 0.2 Allowed 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.917 1.386 . . . . 99.99 111.499 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 43.8 p -80.64 117.82 69.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.309 -0.626 . . . . 99.99 109.309 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.34 81.74 0.16 Allowed 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.367 2.044 . . . . 99.99 110.134 168.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -177.16 43.45 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.175 1.39 . . . . 99.99 108.509 -170.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.99 63.55 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.821 1.248 . . . . 99.99 112.804 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . 0.528 ' HB2' HG13 ' E' ' 185' ' ' VAL . 0.9 OUTLIER -153.24 121.33 6.15 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.735 -1.12 . . . . 99.99 108.203 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.66 143.57 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.357 0.663 . . . . 99.99 110.585 -171.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 52.23 85.98 0.04 OUTLIER 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.999 1.32 . . . . 99.99 112.574 173.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 61.92 18.95 10.29 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.439 0.696 . . . . 99.99 110.907 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' E' ' 181' ' ' LEU . 45.2 t 58.59 -93.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.109 1.364 . . . . 99.99 110.141 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 8.6 m 58.37 -74.73 0.02 OUTLIER 'General case' 0 C--N 1.366 1.312 0 C-N-CA 125.309 1.444 . . . . 99.99 112.345 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 30.2 t -146.69 -173.49 4.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.455 1.102 . . . . 99.99 108.256 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -70.94 -35.69 72.3 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.804 0.335 . . . . 99.99 110.391 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 16.0 tptm -156.05 177.96 10.83 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.083 -0.71 . . . . 99.99 109.083 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . 0.426 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 43.2 t 82.82 -25.41 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 126.218 1.807 . . . . 99.99 112.108 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 10.2 t80 68.11 15.35 9.41 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.266 1.426 . . . . 99.99 111.491 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 114.43 150.54 10.15 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.574 -0.57 . . . . 99.99 113.252 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.3 162.13 11.28 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 123.329 2.686 . . . . 99.99 112.583 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 16.3 t -160.52 -170.6 2.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.888 0.475 . . . . 99.99 110.208 -175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 71.08 7.29 6.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.268 1.427 . . . . 99.99 112.702 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.7 m 74.81 -47.52 0.62 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.698 1.599 . . . . 99.99 113.251 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 47.3 m 64.26 27.7 13.85 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.484 1.114 . . . . 99.99 111.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.671 ' HB3' ' HA2' ' E' ' 202' ' ' GLY . 1.1 tm-20 58.81 76.38 0.35 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.977 1.311 . . . . 99.99 109.513 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.446 ' HB2' ' HD2' ' E' ' 201' ' ' PRO . 86.7 mttt 58.39 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.246 1.418 . . . . 99.99 112.041 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.469 ' H ' ' HD2' ' E' ' 201' ' ' PRO . 77.8 m -167.06 -47.58 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.695 0 C-N-CA 126.582 1.953 . . . . 99.99 110.032 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.469 ' HD2' ' H ' ' E' ' 200' ' ' CYS . 32.2 Cg_endo -62.95 -52.39 2.23 Favored 'Trans proline' 0 C--N 1.4 3.285 0 C-N-CA 121.763 1.642 . . . . 99.99 113.012 176.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . 0.671 ' HA2' ' HB3' ' E' ' 198' ' ' GLU . . . 86.24 51.2 3.6 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 112.385 -0.286 . . . . 99.99 112.385 -174.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -136.68 158.72 43.78 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.735 0.814 . . . . 99.99 110.553 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -148.84 20.43 1.01 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.593 0.757 . . . . 99.99 110.866 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 66.8 tp -133.68 130.62 38.46 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.92 153.72 22.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.554 0.742 . . . . 99.99 109.1 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 87.2 tttt 61.16 94.77 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.719 0.808 . . . . 99.99 110.935 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -82.92 49.47 4.22 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.085 -0.507 . . . . 99.99 112.617 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 64.11 -144.59 48.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 120.054 -0.304 . . . . 99.99 112.358 -175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 155.38 16.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.615 0.766 . . . . 99.99 110.186 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -105.77 -91.43 2.22 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 116.0 -0.545 . . . . 99.99 111.758 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 25.9 t -151.08 -167.58 2.86 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.433 HG13 HG23 ' E' ' 214' ' ' THR . 25.5 pt 48.03 -165.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 C-N-CA 126.64 1.976 . . . . 99.99 112.682 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 214' ' ' THR . . . . . 0.433 HG23 HG13 ' E' ' 213' ' ' ILE . 71.6 p 52.1 -105.79 0.24 Allowed 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.935 1.294 . . . . 99.99 112.325 174.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.22 -29.88 17.92 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.539 0.685 . . . . 99.99 111.124 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.41 -45.15 26.76 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.191 -0.913 . . . . 99.99 112.327 -162.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.11 74.57 9.98 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 89.3 mt -137.89 -42.25 0.53 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.542 1.137 . . . . 99.99 107.936 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.5 147.34 53.58 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.211 -1.359 . . . . 99.99 111.041 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -85.66 4.53 36.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.668 0.787 . . . . 99.99 112.342 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.417 ' HB2' HG23 ' E' ' 224' ' ' VAL . 44.5 mmt-85 -123.66 24.55 8.45 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.356 0.662 . . . . 99.99 111.156 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 63.63 -85.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.545 1.138 . . . . 99.99 113.255 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -107.26 73.6 0.93 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.56 1.171 . . . . 99.99 109.988 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.655 HG13 ' H ' ' E' ' 225' ' ' THR . 3.1 t -89.68 -173.51 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 114.965 -1.016 . . . . 99.99 108.405 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 225' ' ' THR . . . . . 0.655 ' H ' HG13 ' E' ' 224' ' ' VAL . 41.0 p 0.12 81.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.335 2.254 . . . . 99.99 115.607 -160.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.81 -31.24 15.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.385 1.074 . . . . 99.99 110.85 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 161.24 -154.1 25.02 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 123.577 0.548 . . . . 99.99 111.74 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -66.02 -42.6 94.59 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.801 0.3 . . . . 99.99 112.78 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -167.22 84.19 0.1 OUTLIER Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.884 -0.886 . . . . 99.99 110.884 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -145.56 137.56 25.46 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.834 0.854 . . . . 99.99 109.482 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.24 129.71 34.07 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.255 1.022 . . . . 99.99 108.726 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 232' ' ' THR . . . . . 0.479 HG23 ' H ' ' E' ' 234' ' ' ALA . 8.4 t -131.78 -34.02 1.35 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.287 0.476 . . . . 99.99 112.287 -174.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.7 t80 59.56 24.89 13.67 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.806 1.243 . . . . 99.99 111.103 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . 0.479 ' H ' HG23 ' E' ' 232' ' ' THR . . . 70.96 -0.56 3.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.763 1.625 . . . . 99.99 112.742 -176.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' E' ' 236' ' ' THR . 8.8 pt-20 32.43 -104.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 127.332 2.253 . . . . 99.99 114.398 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 236' ' ' THR . . . . . 0.516 ' H ' ' HG3' ' E' ' 235' ' ' GLU . 85.4 m -146.99 -64.5 0.28 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.654 1.182 . . . . 99.99 107.969 174.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -175.85 -62.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.973 1.309 . . . . 99.99 107.893 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 39.9 p -138.68 -64.79 0.51 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.199 1.0 . . . . 99.99 109.211 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -155.87 17.88 0.37 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.372 0.669 . . . . 99.99 111.593 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 61.75 28.41 69.96 Favored Glycine 0 N--CA 1.475 1.262 0 CA-C-N 116.39 -0.368 . . . . 99.99 112.667 -176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.54 -90.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.976 1.31 . . . . 99.99 111.005 -173.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.56 -5.6 1.56 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.294 1.038 . . . . 99.99 109.752 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 52.93 91.2 0.02 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.274 1.43 . . . . 99.99 110.671 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -60.68 158.47 28.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 114.991 -1.004 . . . . 99.99 113.508 -172.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.15 97.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 99.99 111.55 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 4.8 m 57.72 55.1 5.73 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.685 -1.143 . . . . 99.99 110.486 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' E' ' 250' ' ' GLN . 2.0 pp -59.32 -16.18 20.58 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 115.494 -0.775 . . . . 99.99 112.085 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -53.36 -28.64 30.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.248 1.419 . . . . 99.99 111.645 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.7 ' HG3' ' HB2' ' E' ' 254' ' ' ARG . 30.3 tt0 -49.71 -27.35 4.68 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.49 1.916 . . . . 99.99 115.318 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' E' ' 247' ' ' LEU . 38.7 mt-30 -41.24 -64.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.568 1.147 . . . . 99.99 114.092 -152.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -95.52 -69.39 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.624 0.601 . . . . 99.99 112.624 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -97.26 -44.7 6.8 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.307 1.225 . . . . 99.99 114.307 -170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -60.24 -22.51 63.13 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.011 1.856 . . . . 99.99 116.011 -154.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . 0.7 ' HB2' ' HG3' ' E' ' 249' ' ' GLU . 23.5 ttt180 -64.88 -45.38 86.21 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 121.23 0.538 . . . . 99.99 110.379 172.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 99.41 59.63 0.88 Allowed Glycine 0 C--O 1.242 0.636 0 N-CA-C 110.404 -1.078 . . . . 99.99 110.404 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -70.34 92.71 0.81 Allowed 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . 0.422 ' HG2' ' HG ' ' E' ' 258' ' ' LEU . 4.7 pm0 -55.5 -42.34 74.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.418 1.087 . . . . 99.99 110.702 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . 0.422 ' HG ' ' HG2' ' E' ' 257' ' ' GLN . 4.2 pp -177.8 165.42 2.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.849 1.66 . . . . 99.99 108.504 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.37 126.25 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 171.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.1 t -76.52 76.08 3.23 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.734 -0.839 . . . . 99.99 108.734 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -153.77 41.42 0.52 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.996 -1.002 . . . . 99.99 108.868 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -70.87 -27.81 64.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.189 -0.914 . . . . 99.99 111.187 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.84 -41.79 22.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.782 -0.644 . . . . 99.99 110.366 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.4 t 58.76 -83.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.965 1.306 . . . . 99.99 111.358 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.9 -78.47 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.787 -1.19 . . . . 99.99 107.787 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 -72.06 0.05 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.436 1.095 . . . . 99.99 108.541 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 67.9 m -174.61 -65.9 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.776 1.63 . . . . 99.99 107.332 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.77 155.69 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.714 1.606 . . . . 99.99 107.62 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 8.8 t -111.43 29.46 7.81 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.318 0.647 . . . . 99.99 110.439 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 62.98 96.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 99.99 110.46 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.85 3.01 43.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.404 -1.271 . . . . 99.99 113.518 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' E' ' 274' ' ' GLN . 26.9 t-20 -52.15 -60.58 3.04 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 123.465 0.478 . . . . 99.99 111.505 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 53.37 15.78 0.75 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 125.073 1.349 . . . . 99.99 114.267 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' E' ' 272' ' ' ASN . 80.5 mt-30 -87.74 2.51 51.02 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 113.263 0.838 . . . . 99.99 113.263 -170.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -79.76 159.34 71.67 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.978 -0.534 . . . . 99.99 110.798 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -47.6 139.02 18.65 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 123.761 2.974 . . . . 99.99 113.525 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.76 179.29 7.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.763 0.425 . . . . 99.99 111.373 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.2 79.85 0.23 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.586 1.154 . . . . 99.99 109.115 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -142.44 62.09 0.52 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.933 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -170.19 -43.57 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.709 1.204 . . . . 99.99 109.023 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -69.25 94.45 0.7 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.694 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -152.9 -155.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.63 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.81 149.22 36.56 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.263 0.625 . . . . 99.99 111.206 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.04 145.18 9.25 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.438 -0.665 . . . . 99.99 111.438 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -81.78 80.05 8.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.006 -0.738 . . . . 99.99 109.006 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 86.3 mtp -124.41 80.18 60.34 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 107.632 -1.247 . . . . 99.99 107.632 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.28 130.23 6.22 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.587 2.191 . . . . 99.99 112.653 -171.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 6.3 t -94.62 86.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 106.896 -1.52 . . . . 99.99 106.896 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -98.64 23.71 8.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.608 0.763 . . . . 99.99 111.149 -165.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.41 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 63.94 -170.31 0.19 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.159 0.984 . . . . 99.99 112.063 -175.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.422 ' N ' HD11 ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 155.32 81.6 0.03 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.5 85.66 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.304 2.669 . . . . 99.99 111.983 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.71 -4.69 1.58 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.124 0.787 . . . . 99.99 113.124 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -142.03 121.98 13.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.582 0.353 . . . . 99.99 110.24 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 17.3 m -151.45 -49.11 0.12 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.346 0.658 . . . . 99.99 109.835 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 30.7 m-85 -111.5 106.35 15.2 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.908 0.483 . . . . 99.99 110.739 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -144.26 41.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.632 1.173 . . . . 99.99 109.69 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -139.2 147.13 18.97 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.745 -0.661 . . . . 99.99 112.268 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . 0.479 ' HB3' HE22 ' E' ' 372' ' ' GLN . 15.0 m120 -70.05 104.91 2.7 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.427 0.691 . . . . 99.99 110.734 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.45 HD12 ' CD1' ' C' ' 32' ' ' PHE . 29.8 pt -87.51 -11.57 10.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.406 -0.816 . . . . 99.99 110.636 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' E' ' 303' ' ' LYS . 1.0 OUTLIER -55.96 122.98 12.81 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.423 0.452 . . . . 99.99 109.865 161.419 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' E' ' 303' ' ' LYS . 0.0 OUTLIER -162.7 110.37 1.07 Allowed Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 124.837 1.336 . . . . 99.99 109.33 160.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.559 ' HA ' ' HA ' ' D' ' 14' ' ' GLN . 6.0 Cg_endo -95.21 76.52 0.15 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.188 3.258 . . . . 99.99 108.222 149.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -55.34 -72.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.914 1.079 . . . . 99.99 113.914 -161.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' B' ' 131' ' ' VAL . 15.9 m -141.44 160.13 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 112.552 0.575 . . . . 99.99 112.552 -162.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 18.3 m -115.14 136.02 53.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.033 0.933 . . . . 99.99 109.235 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 44.5 t -86.69 156.27 20.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.22 0.608 . . . . 99.99 111.017 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 61.3 p -116.53 155.88 48.18 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.93 0.892 . . . . 99.99 110.434 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.64 167.38 19.3 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.843 2.362 . . . . 99.99 112.709 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . 0.436 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 39.6 t-20 -164.12 -57.86 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.378 1.071 . . . . 99.99 110.925 -173.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.436 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 43.2 Cg_endo -62.89 122.43 10.71 Favored 'Trans proline' 0 C--N 1.403 3.437 0 C-N-CA 121.804 1.67 . . . . 99.99 113.312 -167.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.72 159.04 23.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.77 0.828 . . . . 99.99 109.983 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 167.32 11.17 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.657 0.783 . . . . 99.99 110.426 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -145.2 163.56 34.04 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.31 90.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.468 0.651 . . . . 99.99 110.624 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.0 t -144.28 105.08 4.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.325 -1.361 . . . . 99.99 107.325 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.82 150.85 51.39 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 109.421 -0.585 . . . . 99.99 109.421 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.02 160.03 51.09 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.059 1.839 . . . . 99.99 111.558 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.9 m -72.36 -26.46 61.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.273 0.629 . . . . 99.99 110.725 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.422 HD13 ' N ' ' E' ' 322' ' ' ALA . 1.9 tm? 71.97 143.98 0.06 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.607 1.563 . . . . 99.99 109.948 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . 0.422 ' N ' HD13 ' E' ' 321' ' ' LEU . . . 66.72 25.4 9.77 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.454 1.102 . . . . 99.99 111.108 -177.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 68.78 -73.56 0.09 Allowed 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.093 1.757 . . . . 99.99 110.395 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.2 ttp -158.66 -34.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.802 -1.09 . . . . 99.99 109.28 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 75.8 p 51.76 -109.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 117.376 -1.297 . . . . 99.99 109.762 -164.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 58.71 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.289 1.036 . . . . 99.99 111.971 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.99 103.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.718 0.807 . . . . 99.99 111.472 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.662 ' H ' ' HB2' ' E' ' 332' ' ' LEU . . . -74.42 -78.77 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.481 -176.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 48.9 mm -89.01 -75.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 109.457 -0.572 . . . . 99.99 109.457 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -102.03 -62.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.767 0.794 . . . . 99.99 110.861 163.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.59 -56.64 2.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.262 -1.336 . . . . 99.99 112.83 -166.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.662 ' HB2' ' H ' ' E' ' 328' ' ' ALA . 2.7 tm? 65.42 83.66 0.16 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 -156.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -85.11 61.63 6.99 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.94 -1.027 . . . . 99.99 109.183 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.071 1.748 . . . . 99.99 109.857 -171.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.29 -38.61 24.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.766 0.826 . . . . 99.99 110.17 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 67.53 9.02 6.74 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.894 1.277 . . . . 99.99 110.389 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' E' ' 337' ' ' LYS . 10.5 mmpt? -92.58 119.78 32.37 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.569 0.748 . . . . 99.99 111.456 -171.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -113.77 16.74 20.93 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.162 -0.926 . . . . 99.99 111.137 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -72.25 85.62 1.07 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.066 0.946 . . . . 99.99 109.618 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 65.51 2.9 2.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.652 1.181 . . . . 99.99 112.989 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 55.19 -164.13 0.13 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.145 1.378 . . . . 99.99 112.365 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.99 -104.01 0.18 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.74 1.216 . . . . 99.99 110.453 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.36 160.85 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.88 157.55 37.19 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.079 0.552 . . . . 99.99 110.384 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -76.8 164.33 53.04 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.373 -0.291 . . . . 99.99 112.373 176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.31 -55.04 10.17 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.915 0.486 . . . . 99.99 110.796 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 24.8 t 60.21 31.83 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.065 0.946 . . . . 99.99 110.573 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -79.43 128.29 38.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-N 115.598 -0.728 . . . . 99.99 109.771 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.06 107.79 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 50.8 89.33 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.546 1.138 . . . . 99.99 113.08 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.15 -19.86 58.1 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.703 -0.681 . . . . 99.99 109.937 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -135.89 98.9 4.01 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -83.68 -59.43 2.43 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 99.99 109.038 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -159.54 -30.08 0.06 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.907 0.883 . . . . 99.99 110.676 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 65.34 -89.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.588 1.555 . . . . 99.99 111.465 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 60.33 100.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 124.399 1.08 . . . . 99.99 109.979 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.6 37.18 0.63 Allowed 'Trans proline' 0 CA--C 1.561 1.827 0 C-N-CA 122.686 2.257 . . . . 99.99 114.111 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.9 t 64.76 89.14 0.1 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.351 1.46 . . . . 99.99 112.11 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -90.54 42.13 2.92 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.159 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -109.45 -173.8 2.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.373 1.069 . . . . 99.99 109.248 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' C' ' 26' ' ' PRO . 33.9 mm 77.79 142.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.87 1.268 . . . . 99.99 113.003 164.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.04 -139.73 3.1 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.384 -0.826 . . . . 99.99 112.388 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . 0.424 ' HG3' HG23 ' E' ' 364' ' ' THR . 15.2 pt-20 -157.42 -34.52 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.428 0.614 . . . . 99.99 112.067 -170.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 364' ' ' THR . . . . . 0.424 ' HB ' HE22 ' C' ' 33' ' ' GLN . 40.9 p -86.38 105.09 16.47 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.092 0.472 . . . . 99.99 111.149 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . 0.504 HG23 HD12 ' D' ' 51' ' ' LEU . 21.6 t -106.25 158.93 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.965 1.306 . . . . 99.99 109.315 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . 0.698 ' HB2' ' HB3' ' C' ' 33' ' ' GLN . 17.1 t70 -122.48 113.24 19.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.678 0.391 . . . . 99.99 110.32 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -83.03 -13.44 55.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.165 0.986 . . . . 99.99 112.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.67 -24.56 67.7 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 113.517 0.932 . . . . 99.99 113.517 -161.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.441 ' HB3' ' HB2' ' E' ' 302' ' ' ASP . 41.9 mt-10 -63.42 -21.96 66.6 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.338 0.866 . . . . 99.99 113.338 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -52.56 -17.89 1.47 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.607 1.336 . . . . 99.99 114.607 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 57.9 t -72.96 -30.44 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.355 0 C-N-CA 123.666 0.787 . . . . 99.99 112.24 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.479 HE22 ' HB3' ' E' ' 300' ' ' ASN . 8.7 pt20 -63.52 -16.89 62.02 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.731 1.011 . . . . 99.99 113.731 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -58.0 -21.29 44.17 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.09 1.145 . . . . 99.99 114.09 -174.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.69 74.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.398 0.279 . . . . 99.99 111.006 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.59 -35.39 65.41 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.54 0.736 . . . . 99.99 110.637 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.87 -37.26 81.52 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.351 0.596 . . . . 99.99 110.58 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' E' ' 2' ' ' LYS . 40.9 t80 -77.79 -37.03 49.73 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.866 -0.606 . . . . 99.99 109.759 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.08 -23.2 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.915 0.886 . . . . 99.99 111.828 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' E' ' 5' ' ' THR . 17.3 tppt? -54.55 -41.86 70.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.99 0.916 . . . . 99.99 110.318 172.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' E' ' 380' ' ' LYS . 3.1 ttpm? 62.03 19.01 10.45 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.211 1.004 . . . . 99.99 111.822 170.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -90.99 147.93 22.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.525 -0.734 . . . . 99.99 112.081 -167.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 163.7 153.58 7.38 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 109.877 -1.289 . . . . 99.99 109.877 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -145.34 -71.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 384' ' ' THR . . . . . 0.63 ' HA ' ' HA ' ' B' ' 43' ' ' ASP . 32.8 m 60.6 75.47 0.41 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.067 0.947 . . . . 99.99 110.165 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 53.9 tp -76.35 143.71 40.59 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.149 -0.932 . . . . 99.99 109.93 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.96 104.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 N-CA-C 107.589 -1.263 . . . . 99.99 107.589 167.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' B' ' 45' ' ' ASP . 52.4 mt -90.29 146.08 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.5 117.33 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 172.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.3 m -65.02 154.34 38.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.395 1.078 . . . . 99.99 111.347 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . 0.407 ' HB2' ' OE1' ' B' ' 79' ' ' GLN . . . -48.73 111.42 0.46 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.502 1.121 . . . . 99.99 111.823 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.46 163.44 27.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.391 1.476 . . . . 99.99 109.087 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 59.1 t60 85.5 -31.77 0.05 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.637 1.575 . . . . 99.99 110.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -65.58 98.33 0.36 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.998 -1.112 . . . . 99.99 107.998 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -74.13 -62.81 1.38 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.683 -0.689 . . . . 99.99 110.917 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -179.58 -168.38 0.12 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.997 0.919 . . . . 99.99 109.137 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 396' ' ' SER . . . . . 0.456 ' HA ' HG12 ' A' ' 31' ' ' VAL . 37.0 m -62.01 -30.47 70.98 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.431 0.457 . . . . 99.99 110.673 171.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 74.27 -18.08 0.43 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.448 1.499 . . . . 99.99 112.668 168.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 15.8 tt 34.46 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 126.676 1.99 . . . . 99.99 112.807 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.524 HG11 ' HZ2' ' A' ' 34' ' ' LYS . 8.1 p -71.0 131.65 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.655 -0.702 . . . . 99.99 109.433 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -76.13 109.14 7.49 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.715 0.806 . . . . 99.99 110.627 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -84.71 150.95 11.42 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.869 2.379 . . . . 99.99 110.615 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.97 -20.6 0.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.861 0.864 . . . . 99.99 112.05 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 47.3 m -69.17 147.61 51.09 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.253 1.421 . . . . 99.99 109.759 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 73.76 0.01 3.5 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.267 1.427 . . . . 99.99 111.394 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 48.09 66.55 5.53 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 125.112 1.365 . . . . 99.99 111.03 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.36 74.35 5.48 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.808 2.339 . . . . 99.99 112.019 -171.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -100.43 47.92 1.22 Allowed Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.194 -0.912 . . . . 99.99 110.9 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.81 84.8 4.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.555 0.742 . . . . 99.99 109.615 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 91.0 m -147.55 120.01 8.48 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.374 -0.972 . . . . 99.99 108.374 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -59.32 117.03 4.34 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 124.114 0.884 . . . . 99.99 109.631 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -154.02 -18.75 0.13 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.726 0.81 . . . . 99.99 111.011 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 53.2 tp -72.73 118.53 15.78 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.102 0.561 . . . . 99.99 109.73 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -84.04 -168.19 2.05 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.2 m 68.76 16.14 8.94 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.493 1.14 . . . . 99.99 110.205 -172.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -67.28 -18.22 65.11 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.218 1.407 . . . . 99.99 110.101 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.55 25.23 0.78 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.074 1.749 . . . . 99.99 110.828 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 71.95 -81.75 0.54 Allowed Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.284 -0.726 . . . . 99.99 111.284 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -149.14 36.79 0.76 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 99.99 108.902 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 74.6 t 73.88 -58.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 125.733 1.613 . . . . 99.99 110.046 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.2 ptp -61.34 -16.64 48.12 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.735 1.214 . . . . 99.99 111.904 171.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.2 t 63.29 -93.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.324 1.45 . . . . 99.99 109.638 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 27.2 ttt 164.11 74.37 0.0 OUTLIER 'General case' 0 C--O 1.238 0.47 0 C-N-CA 127.02 2.128 . . . . 99.99 105.64 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.1 p -74.11 80.92 1.75 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.663 -0.698 . . . . 99.99 110.047 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -112.88 -9.05 13.68 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.61 1.164 . . . . 99.99 110.066 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -87.0 -5.53 80.6 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-O 119.509 -0.606 . . . . 99.99 113.538 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 51.7 t30 71.66 -78.71 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.407 1.483 . . . . 99.99 111.488 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 21.5 p -120.33 157.21 29.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.921 0.889 . . . . 99.99 110.776 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.34 -65.34 1.02 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.411 0.685 . . . . 99.99 111.538 -167.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.85 -36.21 83.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.667 0.787 . . . . 99.99 111.296 -173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.47 -20.9 63.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.548 1.139 . . . . 99.99 111.88 -173.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 39.5 m -64.39 -42.16 96.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.279 0.632 . . . . 99.99 110.139 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -80.69 -52.98 6.94 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 99.99 109.818 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -164.63 -87.28 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.582 -1.266 . . . . 99.99 107.582 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -168.97 -52.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.66 1.584 . . . . 99.99 106.932 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 435' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 145' ' ' ALA . 24.6 m 68.99 146.01 0.05 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.287 1.435 . . . . 99.99 110.899 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 84.73 -178.17 51.27 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-O 119.535 -0.592 . . . . 99.99 111.671 -172.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 14.8 t 68.9 16.92 8.78 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.995 0.918 . . . . 99.99 111.041 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . 0.574 HE21 ' HA ' ' E' ' 438' ' ' GLN . 0.0 OUTLIER -104.83 -28.42 11.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.578 0.751 . . . . 99.99 110.664 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 59.65 -155.38 0.35 Allowed 'General case' 0 CA--C 1.553 1.095 0 O-C-N 124.449 1.093 . . . . 99.99 110.436 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 71.34 82.68 0.15 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.864 0.865 . . . . 99.99 111.132 169.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 5' ' ' ASN . 37.6 mm -126.07 -50.0 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 172.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -93.47 -178.85 4.86 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.761 -0.654 . . . . 99.99 110.388 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -82.11 -64.16 1.24 Allowed 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.354 0.661 . . . . 99.99 111.543 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -135.28 4.07 3.15 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.703 0.631 . . . . 99.99 112.703 -170.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 161.24 -149.84 19.05 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 118.712 0.687 . . . . 99.99 113.675 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -100.59 130.46 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.697 0 C-N-CA 123.576 2.851 . . . . 99.99 112.335 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . 0.692 ' HB3' HG23 ' E' ' 451' ' ' VAL . 26.9 t-80 -75.73 -48.09 23.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -172.74 -76.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.895 1.278 . . . . 99.99 107.941 170.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -176.66 -62.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.906 1.283 . . . . 99.99 108.042 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.1 82.5 8.4 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.684 -1.144 . . . . 99.99 110.486 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.692 HG23 ' HB3' ' E' ' 447' ' ' HIS . 4.9 t -121.81 -43.56 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 115.51 -0.768 . . . . 99.99 109.558 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 9' ' ' MET . 2.9 p -116.16 131.58 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.155 0.582 . . . . 99.99 109.664 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -93.62 80.89 1.02 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.722 HD22 ' SG ' ' A' ' 97' ' ' CYS . 94.6 mt -123.59 -51.16 1.84 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.184 0.594 . . . . 99.99 112.072 -174.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 m 72.64 9.15 5.65 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.394 1.078 . . . . 99.99 110.86 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 41.6 t0 70.12 -77.51 0.05 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.391 1.877 . . . . 99.99 113.63 172.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' E' ' 458' ' ' THR . 28.6 pt20 -154.04 -154.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.582 0.353 . . . . 99.99 111.682 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.477 ' HA ' ' HE1' ' E' ' 461' ' ' PHE . 58.7 p 79.13 89.45 0.06 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 127.441 2.296 . . . . 99.99 112.686 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -147.07 -165.91 2.37 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 106.271 -1.751 . . . . 99.99 106.271 168.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.594 ' HB3' ' HA ' ' A' ' 131' ' ' VAL . 3.4 tm? -62.44 102.03 0.28 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.99 1.268 . . . . 99.99 108.316 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 6.9 m-85 -64.01 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.648 0.593 . . . . 99.99 110.27 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.543 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 49.1 t80 -168.52 94.12 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.936 0.789 . . . . 99.99 108.936 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 5.7 t -164.62 -43.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.909 0.883 . . . . 99.99 109.747 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.487 ' HE1' HG13 ' A' ' 131' ' ' VAL . 14.4 mmt 71.15 -65.0 0.36 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.205 1.402 . . . . 99.99 112.45 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' E' ' 465' ' ' LYS . 4.7 ttmp? 80.63 -37.34 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.403 1.481 . . . . 99.99 111.006 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -139.23 166.71 23.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.054 0.942 . . . . 99.99 110.181 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -107.24 -90.66 0.43 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.275 0.63 . . . . 99.99 110.697 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.99 162.92 29.12 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.929 0.492 . . . . 99.99 110.796 -176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -106.58 55.6 0.53 Allowed Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.532 -0.627 . . . . 99.99 111.532 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.457 HD13 ' HG3' ' A' ' 38' ' ' PRO . 6.3 tt -89.1 -78.44 0.35 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 126.095 1.758 . . . . 99.99 113.78 -177.676 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' E' ' 447' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.689 0.255 . . . . 99.99 111.689 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -134.45 18.64 3.64 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.554 0.742 . . . . 99.99 110.186 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' E' ' 450' ' ' ASN . 0.0 OUTLIER -134.78 -72.7 0.47 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.945 0.898 . . . . 99.99 108.597 -172.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -85.63 -12.26 51.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.216 1.007 . . . . 99.99 109.422 168.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 8' ' ' GLU . 63.5 t30 67.52 -90.7 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.368 1.467 . . . . 99.99 109.457 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -169.03 33.32 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 m 71.29 5.4 5.43 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.225 1.41 . . . . 99.99 111.49 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HB2' ' ND2' ' A' ' 5' ' ' ASN . 38.9 mt-10 -74.54 107.87 6.94 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.888 -1.153 . . . . 99.99 107.888 168.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -68.91 133.5 48.31 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 123.527 0.517 . . . . 99.99 111.468 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -141.75 120.06 12.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.913 1.285 . . . . 99.99 108.756 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 85' ' ' SER . 46.8 t80 -130.35 140.19 50.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.938 0.495 . . . . 99.99 110.098 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 139.05 4.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.313 1.045 . . . . 99.99 109.108 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 99.99 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 34.4 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' B' ' 122' ' ' THR . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 ' NE2' ' A' ' 80' ' ' GLN . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 17.02 107.845 169.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HB3' ' HB1' ' E' ' 322' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 50.99 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.655 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 18.45 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 13.15 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 6.92 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 22.19 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 43.73 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' E' ' 470' ' ' LEU . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 63.88 111.582 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 65' ' ' THR . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 73.6 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 HD11 ' SD ' ' E' ' 464' ' ' MET . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 99.99 107.699 -173.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.685 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.496 ' HB ' ' HG ' ' E' ' 460' ' ' LEU . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 50.91 109.829 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 67.81 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 99.99 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 81.17 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' A' ' 2' ' ' SER . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.408 ' HE1' HD13 ' E' ' 454' ' ' LEU . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.591 ' HB2' HD13 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.23 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 75.11 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 32.98 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 27.21 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 28.74 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.685 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 35.81 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 19.33 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 29.68 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 25.47 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 80.58 109.96 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 99.99 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 40.21 111.331 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 30.66 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 59.79 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 30.86 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.48 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 20.96 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.655 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 18' ' ' THR . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 21.28 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 80.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 39.9 m -89.82 110.71 21.62 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.52 HG12 ' HE3' ' A' ' 94' ' ' MET . 1.9 tt -137.47 124.98 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.068 0.547 . . . . 99.99 109.892 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.78 157.79 19.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.304 1.041 . . . . 99.99 109.555 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.35 -2.08 31.06 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 115.34 0.896 . . . . 99.99 115.34 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.516 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 1.9 mp -113.04 165.82 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' E' ' 344' ' ' GLU . 0.1 OUTLIER -134.41 173.81 11.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.675 0.79 . . . . 99.99 111.204 -176.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.24 -153.45 45.84 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 115.449 -0.796 . . . . 99.99 114.445 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -68.14 -22.42 64.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.565 0.746 . . . . 99.99 110.989 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.527 ' HG2' ' HE3' ' A' ' 138' ' ' MET . 16.7 mt-30 -64.3 -41.08 97.03 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.674 1.19 . . . . 99.99 110.792 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.52 ' HE3' HG12 ' A' ' 86' ' ' ILE . 14.5 tpt -71.59 -39.87 70.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.706 0.803 . . . . 99.99 110.463 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.36 65.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.294 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -92.21 -20.72 20.89 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.744 0.818 . . . . 99.99 112.03 173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.29 -37.76 88.52 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.1 0.476 . . . . 99.99 110.203 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 HD21 HG21 ' E' ' 452' ' ' VAL . 1.2 pp -103.13 -9.69 19.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 99.99 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 99.99 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.404 ' SG ' ' HE1' ' A' ' 11' ' ' PHE . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 79.06 112.132 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' HG12 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 59.39 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 99.99 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 83.34 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 42.55 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 17.98 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 13.2 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 36.0 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 15.85 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.414 HH12 HD11 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 19.0 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 5.43 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 18.83 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.409 HG21 ' HE2' ' C' ' 109' ' ' TYR . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 22.63 111.254 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 6.65 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 88.83 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 51.92 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 39.96 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 11.33 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.532 HG23 ' NE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 32.89 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 19.39 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 30.18 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 90.79 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 93.81 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 77.99 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 85.02 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t -136.3 117.07 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -107.45 101.85 11.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.946 0.498 . . . . 99.99 109.692 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -88.56 -27.83 21.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.089 0.555 . . . . 99.99 110.974 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.58 -52.01 43.67 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.404 0.44 . . . . 99.99 111.491 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.04 79.9 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.373 0.421 . . . . 99.99 110.556 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.73 -43.76 97.98 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.297 1.039 . . . . 99.99 111.322 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -75.1 -47.53 28.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.805 0.842 . . . . 99.99 110.204 -174.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.545 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 25.5 mmt -59.56 -53.95 52.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.601 0.76 . . . . 99.99 110.38 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -45.6 -56.6 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.96 1.304 . . . . 99.99 111.533 174.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -67.36 -37.63 83.51 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.617 -0.719 . . . . 99.99 111.801 -175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.2 -51.04 41.85 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.979 0.512 . . . . 99.99 112.297 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -171.18 -0.53 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.564 0.54 . . . . 99.99 111.537 -166.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 67.57 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.252 1.421 . . . . 99.99 109.627 -163.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.48 -80.46 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.476 1.51 . . . . 99.99 109.943 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 63.38 -165.04 0.24 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.625 1.17 . . . . 99.99 112.251 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.8 -86.45 0.24 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.531 -1.427 . . . . 99.99 109.531 173.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.56 155.64 48.3 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.536 1.135 . . . . 99.99 108.695 174.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.25 54.48 0.26 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.952 -0.459 . . . . 99.99 111.952 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.1 p 45.66 71.91 0.25 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.18 1.392 . . . . 99.99 111.587 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.648 ' HG2' ' H ' ' E' ' 149' ' ' LYS . 1.6 mp0 -79.07 -0.61 32.14 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.715 -1.13 . . . . 99.99 111.12 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 57.77 78.44 0.24 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.572 -1.269 . . . . 99.99 107.572 -155.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.41 77.99 2.47 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 122.269 1.033 . . . . 99.99 109.354 -170.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -142.55 173.49 11.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.982 1.713 . . . . 99.99 106.684 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.03 104.73 0.17 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.584 0.707 . . . . 99.99 111.205 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.472 1.109 . . . . 99.99 110.473 -175.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.259 -0.274 . . . . 99.99 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -81.97 -69.4 0.62 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.368 0.667 . . . . 99.99 110.637 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -37.71 56.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.278 1.031 . . . . 99.99 110.453 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 178.35 -67.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.061 1.345 . . . . 99.99 108.598 -166.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.596 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 60.3 t30 -113.41 -39.13 4.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.61 0.967 . . . . 99.99 113.61 -161.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 82.8 135.39 0.06 Allowed 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 126.135 1.774 . . . . 99.99 109.687 -169.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.5 p 53.53 29.74 9.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.653 1.581 . . . . 99.99 110.938 -166.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' B' ' 5' ' ' ASN . 9.5 tp10 -86.94 129.35 34.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.31 1.044 . . . . 99.99 108.983 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.573 ' SD ' ' HD1' ' B' ' 11' ' ' PHE . 0.0 OUTLIER 65.94 166.74 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.032 1.333 . . . . 99.99 110.793 -170.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.7 p -148.97 103.31 3.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.065 1.346 . . . . 99.99 107.392 169.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.573 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 45.0 p90 -146.83 147.61 31.04 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 99.99 112.432 170.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.441 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 61.13 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 99.99 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.532 ' NE ' HG23 ' A' ' 122' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 99.99 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 22.84 108.092 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 25.35 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 18.25 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 41.37 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 15.07 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 29.37 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 11.41 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' HG2' HD23 ' E' ' 321' ' ' LEU . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 27.88 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . 0.441 ' HB3' HG22 ' E' ' 318' ' ' VAL . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.484 ' O ' HG12 ' B' ' 31' ' ' VAL . 46.1 m-80 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 51.27 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' B' ' 31' ' ' VAL . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 99.99 110.553 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.577 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 99.89 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' HA ' ' HG2' ' E' ' 310' ' ' PRO . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.775 ' HB3' ' HB1' ' E' ' 7' ' ' ALA . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.581 HD21 HD13 ' E' ' 11' ' ' LEU . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 99.99 108.689 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 89.58 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.566 ' HB2' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 50.34 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 99.99 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 44.59 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 98.19 109.307 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 93.17 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.452 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 98.7 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.594 ' HB2' HD13 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 99.99 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 85.08 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 32.75 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 89.85 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 99.99 109.389 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.587 HG13 HD23 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 30.69 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 50.25 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 27.1 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 27.69 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 28.91 110.412 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.469 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 82.69 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 84.99 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 91.81 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 39.53 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.469 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 37.29 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 21.12 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 29.86 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 13.61 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.494 ' HA ' HD11 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 13.23 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 36.68 107.526 166.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 12.8 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 51.05 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.498 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 99.99 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 99.23 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.691 HG12 HG11 ' E' ' 18' ' ' VAL . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 99.99 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' E' ' 21' ' ' ALA . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.669 ' HA ' HD11 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.473 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 99.37 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' B' ' 137' ' ' PHE . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 67.76 111.971 172.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 81.59 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 55.65 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 48.03 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 99.99 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 59.06 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 27.15 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 18.14 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . 0.402 ' HE2' HG22 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 25.24 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 18.19 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 76.84 110.928 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 28.75 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 30.1 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 17.12 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.81 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 50.71 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 23.64 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.468 ' HA ' HE21 ' C' ' 125' ' ' GLN . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 49.99 113.127 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 17' ' ' TYR . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 33.79 112.195 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 28.26 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 39.05 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 99.99 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 99.99 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' E' ' 6' ' ' ILE . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 99.99 111.903 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 64.44 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.551 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 75.43 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.99 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' B' ' 135' ' ' ALA . 23.1 p-10 -80.18 70.87 6.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.31 -34.48 42.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.787 -0.642 . . . . 99.99 110.102 -170.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.91 -41.37 99.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.011 -0.995 . . . . 99.99 109.873 172.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' B' ' 132' ' ' ASN . . . -77.59 -23.84 49.82 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.256 0.973 . . . . 99.99 111.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.82 -54.85 28.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.754 0.822 . . . . 99.99 108.794 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.442 ' HE2' ' HA3' ' B' ' 99' ' ' GLY . 13.1 m-85 -69.47 -33.85 73.49 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.255 -0.884 . . . . 99.99 111.333 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' B' ' 135' ' ' ALA . 38.5 ttp -62.95 -35.38 79.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.862 0.465 . . . . 99.99 111.32 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -79.55 -34.26 41.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.151 -0.932 . . . . 99.99 111.086 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -71.46 -41.94 68.78 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.046 -0.525 . . . . 99.99 109.674 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 55.8 mt -88.06 15.62 7.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.52 1.128 . . . . 99.99 110.81 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.464 ' HG3' ' HG3' ' E' ' 88' ' ' GLU . 60.3 tt0 -64.28 -60.05 3.66 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 122.936 0.494 . . . . 99.99 110.157 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 62.95 -66.34 0.09 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.676 1.59 . . . . 99.99 111.348 -172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -60.3 89.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.973 1.309 . . . . 99.99 111.513 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -143.47 95.57 2.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.465 1.106 . . . . 99.99 108.787 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.03 13.12 66.33 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-N 115.632 -0.713 . . . . 99.99 114.096 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 53.47 68.67 0.81 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.582 1.153 . . . . 99.99 111.218 -171.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.5 27.98 71.71 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.45 -0.795 . . . . 99.99 114.74 170.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.9 t -153.01 149.65 28.4 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.122 0.461 . . . . 99.99 110.249 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -87.22 -81.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.419 -0.956 . . . . 99.99 108.419 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 55.02 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.407 1.483 . . . . 99.99 114.322 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.9 m80 58.33 32.33 21.94 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.837 1.255 . . . . 99.99 110.781 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.07 133.73 51.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.071 0.548 . . . . 99.99 110.415 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.63 104.96 1.07 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.688 0.795 . . . . 99.99 109.151 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.56 -0.904 . . . . 99.99 108.56 178.392 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.362 -0.606 . . . . 99.99 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -75.71 85.42 2.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.474 0.71 . . . . 99.99 109.369 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -87.46 153.69 21.23 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.998 -1.001 . . . . 99.99 110.609 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 69.9 -84.54 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.359 1.464 . . . . 99.99 110.853 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -174.7 -47.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.111 0.964 . . . . 99.99 109.099 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' C' ' 90' ' ' GLU . 12.5 m120 72.22 129.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.984 1.713 . . . . 99.99 113.051 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.508 HG21 ' HG3' ' C' ' 8' ' ' GLU . 25.9 m -138.95 -88.33 0.22 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 123.522 0.729 . . . . 99.99 110.448 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.508 ' HG3' HG21 ' C' ' 7' ' ' THR . 43.2 mt-10 -141.62 3.59 1.69 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 123.223 0.609 . . . . 99.99 112.419 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.49 ' HA ' ' HA3' ' C' ' 88' ' ' GLY . 73.7 mtp 65.99 138.16 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.188 1.395 . . . . 99.99 112.638 -174.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' C' ' 87' ' ' ALA . 22.9 m -86.86 81.43 8.15 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.717 -1.216 . . . . 99.99 107.717 173.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.534 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 -114.28 148.85 36.84 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.564 -1.198 . . . . 99.99 109.233 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 82.71 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 99.99 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.404 HG23 ' N ' ' C' ' 17' ' ' TYR . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 17.72 107.512 168.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.404 ' N ' HG23 ' C' ' 16' ' ' ILE . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 9.52 108.81 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 51.3 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.713 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 13.13 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 15.89 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 10.19 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 26.52 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 43.6 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.685 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 57.64 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.543 HG23 ' HZ2' ' C' ' 34' ' ' LYS . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 78.76 111.569 -172.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 99.99 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 72.29 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 99.99 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.408 ' H ' HD21 ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 99.99 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 99.99 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 90.89 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 55.92 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 78.18 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 57.25 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.457 HD13 HD13 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 99.99 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' C' ' 87' ' ' ALA . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 97.58 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.435 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 43.88 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 30.1 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 99.67 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 31.81 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.79 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 29.1 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 36.6 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 38.08 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 65.72 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 99.99 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 83.21 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.717 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 40.89 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 38.89 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 66.65 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.431 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 32.91 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG21 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 14.84 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.713 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 26.52 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 12.17 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' D' ' 29' ' ' PRO . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 39.17 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt -114.73 109.76 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.646 ' HB2' ' HB ' ' C' ' 10' ' ' THR . . . -151.08 -179.13 7.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.144 0.978 . . . . 99.99 110.294 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 115.46 -47.63 1.02 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.644 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 34.6 mt 58.32 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.783 1.233 . . . . 99.99 111.453 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.738 ' HB3' ' HB2' ' C' ' 93' ' ' GLN . 0.3 OUTLIER -98.59 17.06 20.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.86 0.864 . . . . 99.99 111.337 176.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.13 -111.62 3.98 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.416 0.447 . . . . 99.99 112.777 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -65.54 -39.14 91.41 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.465 1.106 . . . . 99.99 111.203 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' C' ' 90' ' ' GLU . 49.0 mt-30 -65.57 -43.21 90.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.058 0.543 . . . . 99.99 109.913 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.644 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.8 ttt -64.85 -38.21 90.21 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.694 0.797 . . . . 99.99 111.224 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.719 ' HB2' ' HG2' ' E' ' 273' ' ' GLN . . . -65.13 -34.24 77.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.105 -0.952 . . . . 99.99 111.148 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -70.71 -38.77 73.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.449 0.7 . . . . 99.99 110.467 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m -63.59 -50.86 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.918 0.487 . . . . 99.99 111.279 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 81.7 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' C' ' 134' ' ' ASP . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 68.22 111.618 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.45 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 85.73 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 52.77 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 101' ' ' TYR . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 18.22 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.458 HD23 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 62.78 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 20.21 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 17.97 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.409 ' HE2' HG21 ' A' ' 115' ' ' THR . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 10.09 110.358 178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 18.56 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 31.03 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 26.09 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.473 HG21 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 21.24 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' THR . . . . . 0.514 HG22 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 14.3 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 10.17 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.579 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 12.08 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 54.79 110.308 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 23.93 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.55 HG21 ' HB3' ' D' ' 17' ' ' TYR . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 27.3 112.505 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 36.76 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.447 ' HG3' ' H ' ' E' ' 298' ' ' HIS . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 44.0 111.295 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.514 ' HB2' HG22 ' C' ' 115' ' ' THR . 0.0 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.605 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 92.07 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . 0.425 HD22 HG21 ' C' ' 115' ' ' THR . 15.3 m120 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 43.42 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 64.09 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 45.54 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 40.22 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . 0.469 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 98.11 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.04 -26.05 67.35 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' C' ' 100' ' ' ALA . 34.8 t70 -57.84 -37.47 73.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.73 0.812 . . . . 99.99 111.022 177.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.47 68.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.04 -0.982 . . . . 99.99 111.751 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' C' ' 139' ' ' ASN . 75.7 mt -62.69 -20.89 65.31 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.328 0.862 . . . . 99.99 113.328 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -61.22 -39.86 91.84 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.839 0.456 . . . . 99.99 110.827 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -42.63 30.72 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.841 0.857 . . . . 99.99 110.399 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . 0.529 ' HB2' ' HA ' ' C' ' 136' ' ' LEU . 5.8 m-20 -55.26 -35.0 64.52 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.383 1.073 . . . . 99.99 111.57 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.61 -86.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 O-C-N 123.967 0.792 . . . . 99.99 110.344 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.434 ' HG ' ' NE2' ' C' ' 142' ' ' GLN . 17.7 tp -175.71 -92.1 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . 0.434 ' NE2' ' HG ' ' C' ' 141' ' ' LEU . 1.1 mp0 -141.59 -154.63 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . 0.482 ' HG3' ' HA ' ' E' ' 272' ' ' ASN . 0.7 OUTLIER -67.77 94.55 0.46 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.388 -0.967 . . . . 99.99 108.388 171.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.27 142.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.842 1.257 . . . . 99.99 111.414 -175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -81.62 93.65 6.77 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 107.188 -1.412 . . . . 99.99 107.188 164.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.27 -50.77 62.05 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 124.023 0.827 . . . . 99.99 113.597 -170.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.94 154.13 21.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.387 0.675 . . . . 99.99 109.701 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.43 -108.69 2.04 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-O 119.272 -0.738 . . . . 99.99 111.853 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.4 m 58.49 70.89 0.62 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.684 1.194 . . . . 99.99 109.626 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.68 -83.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.129 1.372 . . . . 99.99 108.46 -166.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -166.43 161.05 16.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.729 1.212 . . . . 99.99 108.529 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -82.7 12.14 5.07 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.491 0.716 . . . . 99.99 111.672 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -48.16 70.65 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.171 0.989 . . . . 99.99 108.551 169.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.63 163.68 0.23 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.707 1.603 . . . . 99.99 111.463 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.15 0.98 . . . . 99.99 109.136 -179.083 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 61.64 78.54 0.28 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.586 1.154 . . . . 99.99 110.962 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.72 175.57 10.5 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.546 0.738 . . . . 99.99 110.465 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.82 132.91 37.03 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.791 -0.818 . . . . 99.99 108.791 170.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.11 143.46 56.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.327 1.051 . . . . 99.99 111.438 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -51.09 -52.86 39.42 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.397 1.079 . . . . 99.99 111.588 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m 60.02 -77.35 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.691 1.596 . . . . 99.99 112.532 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -86.65 -30.74 21.53 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.331 1.052 . . . . 99.99 111.854 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -28.5 123.92 0.11 Allowed 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.715 1.606 . . . . 99.99 113.772 -169.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.56 HG23 ' HD2' ' E' ' 94' ' ' PHE . 49.9 p -108.53 147.11 32.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.145 0.578 . . . . 99.99 110.982 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' D' ' 85' ' ' SER . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 79.57 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.538 HD12 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' E' ' 304' ' ' PRO . 45.2 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 99.99 112.345 -172.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 81.0 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.685 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 28.79 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 14.92 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 58.5 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 14.63 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 15.53 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.552 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 6.05 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 14.28 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 16.78 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.415 ' ND2' ' HB ' ' D' ' 72' ' ' THR . 68.7 m-20 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 22.87 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.573 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 21.13 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 30.2 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 64.18 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 34.41 108.237 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' E' ' 45' ' ' ARG . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 54.02 109.364 171.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . 0.597 HE21 ' HG3' ' D' ' 124' ' ' PRO . 1.7 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 34.31 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.557 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 83.42 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.584 ' HB3' HG13 ' E' ' 121' ' ' VAL . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 99.99 106.747 170.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.611 HD22 HG11 ' E' ' 121' ' ' VAL . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 97.22 112.311 -163.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 99.99 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 62.54 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 55.71 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 61.91 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 93.38 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 99.99 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.447 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 99.99 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.478 ' CD2' HD23 ' E' ' 100' ' ' LEU . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.54 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 71.26 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 36.06 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 79.92 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 22.5 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 23.18 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 24.43 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 32.61 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 25.12 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.452 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 49.15 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 32.34 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 33.15 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.44 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' THR . . . . . 0.415 ' HB ' ' ND2' ' D' ' 27' ' ' ASN . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 19.1 111.782 -175.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.485 ' HA ' HG13 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 12.32 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 8.66 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 19.44 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.591 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 10.02 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 29.4 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.42 ' HG3' HD23 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.3 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.413 HG23 HE21 ' D' ' 14' ' ' GLN . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 65.32 109.403 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 99.99 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.55 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 99.99 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . 0.658 ' H ' ' HA3' ' E' ' 96' ' ' GLY . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.548 ' SD ' HG21 ' E' ' 97' ' ' ILE . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 99.99 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.478 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 99.99 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.54 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 70.12 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 64.46 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 46.86 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 45.41 111.842 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 38.42 114.071 167.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 87.71 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.538 HG21 HD12 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 35.35 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 21.86 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 12.38 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 8.42 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 15.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 17.35 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 12.17 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.56 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.596 HD13 HD12 ' D' ' 128' ' ' LEU . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 19.17 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 115' ' ' THR . . . . . 0.402 HG22 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 19.58 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 14.23 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.43 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 6.04 111.662 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 19.19 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 16.36 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 7.12 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 35.79 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.597 ' HG3' HE21 ' D' ' 37' ' ' GLN . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 27.88 112.21 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 17.97 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 33.77 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 99.99 109.836 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.596 HD12 HD13 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 35.86 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' E' ' 125' ' ' ALA . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 48.78 111.407 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.404 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 48.18 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.489 HG22 HG22 ' E' ' 121' ' ' VAL . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 95.86 110.291 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.4 -59.21 5.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.66 70.89 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.025 0.93 . . . . 99.99 111.701 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.45 HD11 HD21 ' D' ' 44' ' ' LEU . 1.1 tt -62.6 -41.38 98.93 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.101 1.361 . . . . 99.99 110.13 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.35 -31.03 54.14 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 114.33 -1.305 . . . . 99.99 111.43 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.63 -28.08 44.2 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.106 0.962 . . . . 99.99 113.111 -174.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -49.44 -50.94 38.7 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.455 1.102 . . . . 99.99 111.279 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -53.82 -31.64 49.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.628 1.171 . . . . 99.99 113.052 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.78 -38.48 46.59 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.367 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -94.04 -0.09 55.65 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 113.733 1.012 . . . . 99.99 113.733 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -119.41 99.69 6.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -136.71 -18.16 1.42 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.802 -0.635 . . . . 99.99 110.753 -171.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -160.94 -28.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.844 0.858 . . . . 99.99 110.014 168.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 177.95 -104.43 0.19 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 109.988 -1.245 . . . . 99.99 109.988 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.93 106.85 1.07 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.64 0.776 . . . . 99.99 110.034 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.52 110.48 2.07 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-O 119.888 -0.396 . . . . 99.99 113.571 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.9 p 56.6 22.64 6.88 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.45 1.5 . . . . 99.99 114.082 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -30.85 9.52 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.188 0.995 . . . . 99.99 110.764 176.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -177.52 -51.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.547 1.539 . . . . 99.99 107.05 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -83.48 72.47 10.26 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.756 -0.831 . . . . 99.99 108.756 171.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -83.65 71.58 10.37 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 107.666 -1.235 . . . . 99.99 107.666 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -167.19 147.96 5.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.02 -1.445 . . . . 99.99 108.724 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.217 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tmm? . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.844 -0.799 . . . . 99.99 108.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.3 136.16 39.6 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.428 0.691 . . . . 99.99 111.957 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.411 ' HB2' ' HB3' ' E' ' 308' ' ' CYS . 3.9 pt20 -105.43 -9.59 17.44 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.828 0.851 . . . . 99.99 112.257 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -80.27 -1.28 40.12 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.431 0.692 . . . . 99.99 112.844 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.448 ' O ' ' HE2' ' E' ' 303' ' ' LYS . 86.8 m -121.54 121.23 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.947 -1.131 . . . . 99.99 107.947 173.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' B' ' 128' ' ' LEU . 48.4 mm 66.49 144.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 124.543 1.137 . . . . 99.99 111.283 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.775 ' HB1' ' HB3' ' B' ' 42' ' ' LEU . . . -150.32 127.24 11.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.698 0.399 . . . . 99.99 110.447 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.529 ' HA ' HD12 ' B' ' 44' ' ' LEU . 41.4 tp 171.41 109.23 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 O-C-N 125.506 1.754 . . . . 99.99 107.548 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.62 166.08 2.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.82 -56.04 0.31 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.674 1.589 . . . . 99.99 111.96 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.581 HD13 HD21 ' B' ' 44' ' ' LEU . 5.9 mp 68.33 166.26 0.12 Allowed Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 123.975 0.91 . . . . 99.99 109.583 -169.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.6 -68.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 121.407 1.404 . . . . 99.99 110.941 168.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -179.85 92.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 106.199 -1.778 . . . . 99.99 106.199 174.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 67.4 tp 71.49 123.76 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 O-C-N 124.443 1.09 . . . . 99.99 111.053 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.43 1.19 52.24 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.143 0.794 . . . . 99.99 113.143 -173.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -164.29 123.51 1.28 Allowed Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 122.736 0.415 . . . . 99.99 111.035 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -84.19 63.75 6.91 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.978 2.452 . . . . 99.99 112.177 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.691 HG11 HG12 ' B' ' 86' ' ' ILE . 27.5 m -76.33 76.38 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 122.942 1.353 . . . . 99.99 112.336 -174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.1 p -86.9 -175.1 5.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.518 -1.219 . . . . 99.99 110.804 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.606 ' HB2' ' HZ3' ' E' ' 20' ' ' LYS . 8.1 mtmp? 76.33 -68.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.071 1.748 . . . . 99.99 110.787 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.738 ' HA ' ' HB1' ' B' ' 87' ' ' ALA . . . 67.6 85.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.626 1.171 . . . . 99.99 112.338 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -76.35 96.47 4.01 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.944 0.498 . . . . 99.99 110.466 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -132.7 105.02 12.92 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 123.97 0.908 . . . . 99.99 109.007 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.79 120.64 5.9 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 121.423 1.416 . . . . 99.99 110.819 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.2 -150.38 0.23 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.221 1.008 . . . . 99.99 110.576 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.478 ' H ' ' HD2' ' E' ' 27' ' ' PRO . 59.7 mtt -125.91 -50.03 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.275 0 CA-C-O 117.706 -1.14 . . . . 99.99 111.946 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.478 ' HD2' ' H ' ' E' ' 26' ' ' MET . 56.8 Cg_endo -69.86 81.94 0.81 Allowed 'Trans proline' 0 C--N 1.398 3.146 0 CA-C-N 121.753 1.662 . . . . 99.99 111.711 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -93.96 -178.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.922 1.289 . . . . 99.99 110.652 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 71.57 -69.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.218 1.407 . . . . 99.99 110.861 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 58.72 -86.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.479 1.112 . . . . 99.99 111.944 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -120.86 57.72 0.97 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.928 0.891 . . . . 99.99 109.041 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' E' ' 32' ' ' ARG . 1.8 mmp_? -115.42 114.86 25.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.545 0.738 . . . . 99.99 109.791 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.78 73.23 9.83 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.156 -1.053 . . . . 99.99 108.156 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.64 -97.68 0.08 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 124.559 1.144 . . . . 99.99 111.015 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 46.78 50.02 13.73 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 125.151 1.381 . . . . 99.99 113.098 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.43 -110.09 0.07 OUTLIER Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.564 -0.744 . . . . 99.99 111.643 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . 0.41 ' O ' HG12 ' E' ' 38' ' ' ILE . 36.8 t70 -74.78 153.86 38.59 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.345 0.572 . . . . 99.99 109.501 171.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.41 HG12 ' O ' ' E' ' 37' ' ' ASP 0.26 4.1 pt 66.3 -9.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 C-N-CA 127.756 2.422 . . . . 99.99 114.39 -174.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m 56.89 -82.76 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.946 1.298 . . . . 99.99 112.353 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.95 96.87 0.86 Allowed Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.444 1.098 . . . . 99.99 109.377 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 -5.37 14.97 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.075 1.85 . . . . 99.99 113.178 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.63 -46.17 2.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 111.453 -0.659 . . . . 99.99 111.453 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.92 -150.84 22.97 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 110.144 -1.183 . . . . 99.99 110.144 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -143.33 -93.05 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.98 -0.748 . . . . 99.99 108.98 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . 0.441 ' HA ' ' CH2' ' D' ' 36' ' ' TRP . 2.0 tmt_? 55.99 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.77 1.228 . . . . 99.99 110.321 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.13 -55.4 0.28 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.586 1.155 . . . . 99.99 108.812 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -9.5 59.79 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.875 0.87 . . . . 99.99 111.98 -170.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.9 m 74.0 -64.67 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.716 1.607 . . . . 99.99 110.572 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.24 -154.98 14.68 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 111.259 -0.736 . . . . 99.99 111.259 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.49 -96.5 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.262 1.425 . . . . 99.99 112.201 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -17.49 64.16 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.579 1.151 . . . . 99.99 111.307 -169.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 65.2 p -63.33 -52.68 60.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.362 0.665 . . . . 99.99 111.63 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.11 -57.59 2.58 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.573 0.349 . . . . 99.99 110.533 174.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 169.32 162.73 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.12 1.768 . . . . 99.99 108.158 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.86 80.53 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 122.546 1.165 . . . . 99.99 112.486 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -133.27 137.08 45.89 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.931 1.292 . . . . 99.99 107.908 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.0 171.19 12.29 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 123.809 0.693 . . . . 99.99 111.032 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m 66.38 -102.38 0.08 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 125.387 1.475 . . . . 99.99 111.3 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.33 179.45 5.46 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.862 0.865 . . . . 99.99 110.571 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -145.36 -78.03 0.19 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 107.484 -1.302 . . . . 99.99 107.484 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t70 56.83 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.707 1.603 . . . . 99.99 113.976 168.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 6.22 88.28 0.04 OUTLIER Pre-proline 0 N--CA 1.506 2.359 0 C-N-CA 128.172 2.589 . . . . 99.99 116.92 -172.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -72.33 160.22 47.52 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.985 3.123 . . . . 99.99 112.723 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.14 -66.12 0.93 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.544 0.737 . . . . 99.99 111.298 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -78.55 92.07 4.64 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 121.799 0.809 . . . . 99.99 111.126 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -80.25 147.97 30.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.135 -1.431 . . . . 99.99 107.135 162.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 7.5 tt -51.23 -39.38 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.738 0.815 . . . . 99.99 111.497 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm 74.84 -52.88 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.906 1.682 . . . . 99.99 111.202 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 tp 84.86 -24.32 0.15 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.988 1.715 . . . . 99.99 112.679 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.37 86.03 0.28 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.349 0.66 . . . . 99.99 109.69 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 mm -96.9 142.0 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.848 0.859 . . . . 99.99 109.946 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.97 -43.03 1.27 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 110.604 -0.998 . . . . 99.99 110.604 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -174.25 -168.18 0.38 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.672 1.589 . . . . 99.99 108.577 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.07 78.44 0.38 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.426 -1.069 . . . . 99.99 110.426 171.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 24.4 mmt -133.7 109.26 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.345 1.058 . . . . 99.99 108.503 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 131.02 10.46 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.536 0.523 . . . . 99.99 112.347 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.9 128.56 40.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.016 0.927 . . . . 99.99 109.68 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -76.89 -23.81 52.55 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.52 0.728 . . . . 99.99 111.807 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.41 -50.56 7.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.39 0.676 . . . . 99.99 110.712 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.448 HG23 ' HG1' ' E' ' 81' ' ' THR . 43.0 mm 67.43 151.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.884 1.274 . . . . 99.99 110.856 -174.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.448 ' HG1' HG23 ' E' ' 80' ' ' ILE . 18.1 m 73.36 146.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.756 1.222 . . . . 99.99 111.455 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 74.16 -0.05 3.46 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.582 1.553 . . . . 99.99 113.249 171.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 143.95 36.75 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.097 0.559 . . . . 99.99 110.771 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.03 162.32 18.36 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.599 0.76 . . . . 99.99 109.63 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -166.98 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.854 0.862 . . . . 99.99 109.937 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.58 105.48 1.22 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.693 -0.685 . . . . 99.99 110.955 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.86 178.37 6.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.728 0.811 . . . . 99.99 110.757 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . 0.464 ' HG3' ' HG3' ' B' ' 142' ' ' GLN . 0.1 OUTLIER -93.26 179.21 5.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.78 0.832 . . . . 99.99 111.487 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.91 140.06 6.19 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.258 -0.883 . . . . 99.99 112.52 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.18 -50.27 8.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.258 0.623 . . . . 99.99 111.082 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . 0.45 ' HA2' ' H ' ' D' ' 11' ' ' PHE . . . 84.75 119.2 0.85 Allowed Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.233 -0.439 . . . . 99.99 112.886 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . 0.45 ' H ' ' HB ' ' D' ' 10' ' ' THR . . . 154.6 -179.62 30.58 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 116.902 0.351 . . . . 99.99 113.009 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . 0.436 ' CE2' HG21 ' D' ' 55' ' ' VAL . 21.2 m-85 -91.42 106.5 18.54 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.987 0.915 . . . . 99.99 109.705 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . 0.56 ' HD2' HG23 ' D' ' 10' ' ' THR . 92.5 m-85 -142.45 160.16 40.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.941 0.897 . . . . 99.99 109.566 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . 0.556 ' HB2' ' HZ1' ' E' ' 95' ' ' LYS . 0.0 OUTLIER -77.83 110.65 12.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 170.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . 0.658 ' HA3' ' H ' ' D' ' 88' ' ' GLY . . . -134.29 -24.89 0.61 Allowed Glycine 0 N--CA 1.463 0.465 0 CA-C-N 115.484 -0.78 . . . . 99.99 111.159 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' D' ' 94' ' ' MET . 36.8 mt -108.83 -40.12 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 124.23 1.012 . . . . 99.99 109.416 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t70 82.03 0.65 1.44 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 126.505 1.922 . . . . 99.99 112.947 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.36 -61.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.03 0.532 . . . . 99.99 110.725 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' D' ' 56' ' ' TYR . 30.7 tp 67.77 72.45 0.38 Allowed Pre-proline 0 CA--C 1.55 0.949 0 O-C-N 124.995 1.435 . . . . 99.99 110.735 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.34 92.87 0.48 Allowed 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.316 2.01 . . . . 99.99 111.373 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.57 82.9 1.52 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p 39.46 -78.12 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.481 1.912 . . . . 99.99 113.969 174.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.15 42.3 0.12 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.442 -1.063 . . . . 99.99 110.442 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 68.68 135.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.187 1.395 . . . . 99.99 109.947 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . 0.514 ' HH ' ' HA ' ' E' ' 110' ' ' ALA . 81.3 t80 79.41 161.45 0.19 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.534 1.534 . . . . 99.99 109.695 -167.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 10.3 m -66.76 -13.27 61.23 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.41 1.084 . . . . 99.99 112.842 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.1 t60 76.26 -53.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 126.272 1.829 . . . . 99.99 110.267 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -71.43 141.62 50.27 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.463 0.705 . . . . 99.99 110.091 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . 0.514 ' HA ' ' HH ' ' E' ' 106' ' ' TYR . . . -75.26 -6.74 51.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.663 0.785 . . . . 99.99 112.157 177.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 13.1 tp 75.8 154.06 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.197 1.799 . . . . 99.99 108.962 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.32 96.81 0.11 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.563 0.697 . . . . 99.99 111.6 -171.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.49 -58.44 1.91 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.103 -1.443 . . . . 99.99 107.103 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 67.5 -83.27 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.917 1.687 . . . . 99.99 110.601 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 m -125.95 12.48 7.82 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.03 0.919 . . . . 99.99 109.209 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 55.84 15.94 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.371 -0.831 . . . . 99.99 111.687 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -76.08 138.42 68.79 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.252 0.621 . . . . 99.99 110.435 -174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.46 62.9 7.81 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.938 2.425 . . . . 99.99 110.598 172.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -95.8 -47.36 6.2 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.237 1.015 . . . . 99.99 110.905 -167.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.86 172.76 11.27 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.615 0.766 . . . . 99.99 110.575 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.611 HG11 HD22 ' D' ' 44' ' ' LEU . 11.7 t 54.75 69.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.945 1.298 . . . . 99.99 110.939 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 89.7 m -142.29 -59.18 0.45 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.201 -0.909 . . . . 99.99 108.914 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.48 125.31 23.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.065 0.946 . . . . 99.99 110.943 -175.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 20.0 m -86.49 128.97 35.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.743 0.817 . . . . 99.99 109.96 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' D' ' 129' ' ' ALA . . . -100.64 -179.24 4.03 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 99.99 110.118 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 70.78 130.16 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.406 1.483 . . . . 99.99 111.098 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -66.15 90.75 0.15 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.383 1.073 . . . . 99.99 111.782 -173.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.57 133.13 35.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.363 1.065 . . . . 99.95 109.979 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.507 ' HB ' HH22 ' B' ' 15' ' ' ARG . 6.8 m -143.75 176.76 8.99 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 83.2 172.62 0.09 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.259 1.424 . . . . 99.99 112.043 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -157.59 -79.8 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.791 -1.189 . . . . 99.99 107.791 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 79.3 p -164.75 152.39 11.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.543 0.737 . . . . 99.99 110.748 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -100.23 126.92 46.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.531 -1.285 . . . . 99.99 107.531 164.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.26 175.93 35.19 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.556 0.535 . . . . 99.66 113.739 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.21 -23.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 99.99 110.89 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? 79.1 -62.08 0.32 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.704 1.602 . . . . 99.99 111.657 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 96.5 m -135.12 115.54 13.53 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.436 0.694 . . . . 99.99 110.191 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.02 145.62 53.39 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.225 0.61 . . . . 99.99 110.742 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.73 141.77 19.29 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 107.035 -1.469 . . . . 99.99 107.035 164.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.62 94.87 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.541 0.525 . . . . 99.99 112.399 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.85 -89.76 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.007 1.323 . . . . 99.99 111.329 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.2 75.62 7.79 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 107.48 -1.304 . . . . 99.99 107.48 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -104.67 -146.16 14.94 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.293 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.06 100.59 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -86.14 151.74 23.41 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.256 0.623 . . . . 99.99 109.436 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . 0.554 HD12 ' H ' ' E' ' 146' ' ' ILE . 0.2 OUTLIER -107.24 121.35 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.848 0.459 . . . . 99.99 110.1 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -140.6 118.24 11.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 171.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.1 88.95 2.45 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 124.112 0.882 . . . . 99.99 110.112 -168.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.648 ' H ' ' HG2' ' A' ' 150' ' ' GLU . 52.5 tptt -80.31 98.3 7.37 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 172.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.85 106.71 17.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.984 -0.747 . . . . 99.99 108.984 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 50.77 82.74 0.24 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 124.91 1.284 . . . . 99.99 112.855 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.09 173.06 15.11 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 122.217 1.945 . . . . 99.99 111.021 167.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 4.2 m -77.73 88.05 3.99 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.011 -1.107 . . . . 99.99 108.011 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.5 -21.03 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.045 0.938 . . . . 99.99 110.1 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 25.4 tp -74.51 -15.12 60.88 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.76 0.824 . . . . 99.99 111.35 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -88.58 64.05 7.24 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 122.578 1.18 . . . . 99.99 110.103 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' A' ' 8' ' ' GLU . 23.9 ptt? -160.19 123.74 3.56 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 172.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.19 94.96 0.55 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.438 -0.346 . . . . 99.99 110.344 -176.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -22.55 65.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.715 -0.675 . . . . 99.99 109.329 169.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.91 -48.24 82.74 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.87 0.868 . . . . 99.99 110.068 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.14 -161.65 0.16 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.583 1.153 . . . . 99.99 112.489 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -95.38 59.75 1.59 Allowed Glycine 0 C--N 1.342 0.909 0 N-CA-C 111.388 -0.685 . . . . 99.99 111.388 171.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.63 89.88 4.55 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.952 -1.129 . . . . 99.99 107.952 175.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -92.06 107.55 19.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.784 0.834 . . . . 99.99 110.014 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 70.2 p 49.04 92.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.765 1.626 . . . . 99.99 113.925 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -158.87 135.32 4.16 Favored Glycine 0 C--N 1.342 0.894 0 N-CA-C 110.892 -0.883 . . . . 99.99 110.892 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' E' ' 364' ' ' THR . 3.9 m-20 60.78 27.1 16.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.342 1.057 . . . . 99.99 111.601 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.94 -20.21 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 124.46 1.104 . . . . 99.99 111.913 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 169' ' ' SER . . . . . 0.608 ' HB2' ' HG2' ' E' ' 243' ' ' GLN . 33.3 t -56.27 -60.79 2.99 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.631 0.772 . . . . 99.99 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 170' ' ' THR . . . . . 0.416 HG23 ' H ' ' E' ' 171' ' ' ALA . 6.1 m 61.06 -179.43 0.11 Allowed 'General case' 0 CA--C 1.572 1.812 0 O-C-N 124.645 1.215 . . . . 99.99 109.869 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . 0.416 ' H ' HG23 ' E' ' 170' ' ' THR . . . 74.68 -67.69 0.24 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.797 1.239 . . . . 99.99 113.056 170.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -90.66 138.64 31.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 99.99 110.201 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.28 158.67 35.47 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.077 1.14 . . . . 99.99 114.077 -166.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.59 ' HB2' ' HA ' ' E' ' 365' ' ' VAL . 0.5 OUTLIER -92.7 96.63 10.29 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.89 -1.522 . . . . 99.99 106.89 172.145 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -119.69 -38.77 2.93 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.093 0.405 . . . . 99.99 112.093 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.3 165.45 20.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.049 0.389 . . . . 99.99 112.049 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 39.0 m -68.42 107.86 2.34 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 115.039 -0.982 . . . . 99.99 110.422 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -83.22 29.04 0.56 Allowed 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.083 2.522 . . . . 99.99 113.497 -173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.31 25.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.015 0.926 . . . . 99.99 109.763 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -167.56 114.94 0.76 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.083 -1.08 . . . . 99.99 108.083 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' E' ' 371' ' ' VAL . 4.2 pp -144.64 149.88 36.44 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.3 0.572 . . . . 99.99 110.792 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.09 166.73 28.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 C-N-CA 125.561 1.545 . . . . 99.99 107.626 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.02 -61.36 1.78 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.294 1.038 . . . . 99.99 111.876 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -150.61 -60.52 0.19 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.782 1.233 . . . . 99.99 107.919 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 50.2 t 49.89 74.93 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 125.335 1.454 . . . . 99.99 112.299 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 17.6 m -176.88 -45.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.831 2.052 . . . . 99.99 107.306 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 16.7 t 62.86 -157.72 0.33 Allowed 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.008 1.323 . . . . 99.99 109.27 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 69.91 133.99 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.54 1.136 . . . . 99.99 111.012 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.31 -98.92 0.09 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.963 0.905 . . . . 99.99 109.382 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 63.7 m 47.71 -82.91 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.531 1.532 . . . . 99.99 111.717 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -149.79 -83.02 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.861 -1.903 . . . . 99.99 105.861 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 48.86 -114.81 2.25 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 115.209 0.843 . . . . 99.99 115.209 166.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -83.33 30.72 0.53 Allowed 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.627 2.884 . . . . 99.99 112.969 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 49.4 m -147.07 149.92 34.03 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.04 0.936 . . . . 99.99 109.683 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' E' ' 199' ' ' LYS . . . -86.18 -83.63 0.18 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 170.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 196' ' ' THR . . . . . 0.448 HG21 ' HG ' ' E' ' 197' ' ' SER . 35.2 m 67.07 137.09 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.667 1.187 . . . . 99.99 112.414 173.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 197' ' ' SER . . . . . 0.448 ' HG ' HG21 ' E' ' 196' ' ' THR . 30.5 m 78.87 -60.41 0.38 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.114 1.366 . . . . 99.99 112.58 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.34 -79.05 0.13 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.603 ' HB3' ' HB1' ' E' ' 195' ' ' ALA . 1.6 tmtp? -75.02 116.61 15.95 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 106.62 -1.622 . . . . 99.99 106.62 172.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.601 ' HB3' ' H ' ' E' ' 204' ' ' ALA . 72.4 m 63.84 80.0 0.25 Allowed Pre-proline 0 CA--C 1.557 1.229 0 O-C-N 124.518 1.137 . . . . 99.99 110.835 -171.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.86 128.25 28.29 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.24 2.627 . . . . 99.99 111.535 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.24 80.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.4 -0.667 . . . . 99.99 113.319 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 64.7 t30 54.9 79.53 0.14 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.989 1.316 . . . . 99.99 110.573 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . 0.601 ' H ' ' HB3' ' E' ' 200' ' ' CYS . . . 74.42 -3.55 2.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.371 1.468 . . . . 99.99 112.112 -172.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.3 tt 61.63 88.23 0.09 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.33 1.452 . . . . 99.99 110.669 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -142.57 15.39 1.99 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.647 -0.706 . . . . 99.99 109.772 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -150.04 -88.51 0.07 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 108.569 -0.9 . . . . 99.99 108.569 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 154.97 155.81 7.47 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 111.595 -0.602 . . . . 99.99 111.595 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 66.06 -101.31 0.59 Allowed Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.085 -0.406 . . . . 99.99 112.085 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -83.84 -42.7 16.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.504 0.722 . . . . 99.99 109.454 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 65.39 -151.31 51.71 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.838 -0.979 . . . . 99.99 111.18 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.6 t 72.12 -25.32 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.04 1.336 . . . . 99.99 114.342 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.405 HG23 ' HZ3' ' E' ' 380' ' ' LYS . 1.8 mp 80.18 -31.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 125.158 1.383 . . . . 99.99 112.675 168.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 42.3 p -73.87 -12.49 60.69 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.063 0.945 . . . . 99.99 112.95 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.11 -32.01 33.38 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 125.625 1.57 . . . . 99.99 113.9 -164.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.3 -10.95 60.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.934 1.087 . . . . 99.99 113.934 -173.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 1.4 pp -41.25 68.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.144 2.177 . . . . 99.99 116.161 -171.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . 0.429 ' HB3' ' H ' ' E' ' 219' ' ' ASN . 0.8 OUTLIER -178.47 -111.43 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 105.214 -2.143 . . . . 99.99 105.214 -179.13 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.429 ' H ' ' HB3' ' E' ' 218' ' ' LEU . 28.8 t-20 171.52 -69.83 0.01 OUTLIER 'General case' 0 C--N 1.364 1.239 0 C-N-CA 124.32 1.048 . . . . 99.99 109.399 -175.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.24 -36.46 24.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.775 0.83 . . . . 99.99 111.976 -172.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -72.51 93.96 1.63 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.091 0.556 . . . . 99.99 110.031 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -164.14 -51.92 0.03 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.164 0.986 . . . . 99.99 108.955 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.95 -153.83 0.33 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.613 1.195 . . . . 99.99 110.651 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' E' ' 402' ' ' ASP . 19.6 m -98.38 140.69 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.378 0.671 . . . . 99.99 109.458 172.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.8 t -64.83 142.19 58.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.175 0.59 . . . . 99.99 111.097 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.97 -50.29 56.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.905 0.882 . . . . 99.99 109.838 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -170.83 -133.17 1.57 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.674 -0.694 . . . . 99.99 111.933 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -127.45 -16.4 2.31 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 119.595 -0.558 . . . . 99.99 113.659 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -65.48 -58.35 9.57 Favored Glycine 0 C--N 1.354 1.548 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.42 -95.36 0.05 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.984 1.314 . . . . 99.99 112.929 167.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.79 -48.49 68.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.644 0.778 . . . . 99.99 111.072 -173.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 6.0 m 54.25 14.53 0.77 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.543 1.537 . . . . 99.99 113.708 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 54.47 23.48 4.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.946 0.899 . . . . 99.99 110.799 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -115.3 7.32 15.15 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.843 1.257 . . . . 99.99 111.205 -171.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.69 -150.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.643 0.777 . . . . 99.99 110.682 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 22.6 m 74.74 8.16 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.422 1.089 . . . . 99.99 111.606 175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.62 -35.34 80.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.9 0.88 . . . . 99.99 110.893 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 41.6 m 78.04 -52.46 0.51 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.86 1.664 . . . . 99.99 113.469 171.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 79.07 -40.62 0.25 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.933 1.693 . . . . 99.99 112.189 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 70.2 21.28 77.1 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 119.7 -0.5 . . . . 99.99 113.359 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 64.74 108.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.476 1.51 . . . . 99.99 111.515 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -144.1 140.02 29.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.106 0.562 . . . . 99.99 109.869 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.608 ' HG2' ' HB2' ' E' ' 169' ' ' SER . 53.8 tp60 71.07 155.95 0.15 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.134 1.374 . . . . 99.99 112.657 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 85.31 -171.74 46.3 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-N 115.459 -0.792 . . . . 99.99 113.328 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 60.66 89.12 0.08 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.754 1.221 . . . . 99.99 110.61 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.8 t -158.73 167.04 30.56 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.563 -167.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 -16.7 61.7 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.514 1.125 . . . . 99.99 111.547 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -58.85 -11.65 3.52 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.681 1.193 . . . . 99.99 112.972 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.79 -17.05 0.09 Allowed 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.439 1.896 . . . . 99.99 115.338 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.91 -18.14 62.67 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.286 0.948 . . . . 99.99 112.334 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -73.78 -15.33 61.2 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.093 0.957 . . . . 99.99 112.924 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -19.37 64.27 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.133 0.573 . . . . 99.99 112.09 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -70.19 -4.36 21.23 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.509 0.724 . . . . 99.99 112.817 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -86.87 -31.14 20.93 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.732 0.813 . . . . 99.99 110.069 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 78.79 -74.99 2.07 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 115.837 -0.619 . . . . 99.99 112.47 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.05 142.58 29.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -65.19 -37.09 86.24 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.316 1.046 . . . . 99.99 112.002 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.04 5.57 48.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.785 0.661 . . . . 99.99 112.785 -171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 76.7 t -81.78 117.7 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.2 t 65.58 21.32 11.71 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.66 1.184 . . . . 99.99 111.394 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.54 150.26 34.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.981 0.912 . . . . 99.99 110.237 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -85.46 -28.63 24.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.16 0.984 . . . . 99.99 111.735 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -76.3 -36.36 58.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.144 0.578 . . . . 99.99 110.541 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.8 m -75.68 -52.42 10.54 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.71 0.804 . . . . 99.99 110.073 173.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 tt 61.58 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 99.99 110.314 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 125.852 1.661 . . . . 99.99 113.669 176.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 20.4 t 71.49 178.75 0.25 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.171 1.388 . . . . 99.99 111.259 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.35 132.87 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.177 0.591 . . . . 99.99 110.514 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 7.8 t -93.1 133.66 36.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.076 0.551 . . . . 99.99 110.673 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 2.44 36.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.555 1.142 . . . . 99.99 110.932 174.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -68.65 -20.44 64.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.616 0.766 . . . . 99.99 111.917 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.482 ' HA ' ' HG3' ' C' ' 143' ' ' GLN . 25.6 t-20 -60.79 -32.75 72.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.305 1.042 . . . . 99.99 112.231 -176.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.719 ' HG2' ' HB2' ' C' ' 95' ' ' ALA . 21.4 mp0 -91.68 142.05 28.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.535 0.734 . . . . 99.99 110.091 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -129.66 -40.89 1.37 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.909 0.484 . . . . 99.99 110.193 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -109.61 125.83 30.45 Favored Pre-proline 0 N--CA 1.48 1.045 0 N-CA-C 109.408 -0.59 . . . . 99.99 109.408 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.481 ' HB2' ' SD ' ' C' ' 94' ' ' MET . 98.4 Cg_endo -78.09 -23.37 9.15 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.733 2.289 . . . . 99.99 113.185 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.446 HD23 ' HE1' ' C' ' 94' ' ' MET . 82.5 mt -86.72 70.23 10.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.882 0.473 . . . . 99.99 110.087 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.72 -165.06 0.21 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.286 1.035 . . . . 99.99 111.618 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 77.66 12.06 84.85 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 120.167 -0.241 . . . . 99.99 113.28 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -162.34 128.28 3.49 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.649 -1.611 . . . . 99.99 106.649 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -164.86 -72.19 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.833 -0.803 . . . . 99.99 108.833 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -133.59 96.76 3.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.638 0.775 . . . . 99.99 109.095 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 129.64 54.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.99 0.916 . . . . 99.99 109.785 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 75.9 8.3 84.63 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.864 0.728 . . . . 99.99 113.96 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 57.19 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.182 1.393 . . . . 99.99 111.476 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 61.9 mtt -64.55 131.31 95.06 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.365 0.666 . . . . 99.99 110.986 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.39 88.03 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.373 2.048 . . . . 99.99 111.343 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.29 102.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.952 -1.022 . . . . 99.99 109.099 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -69.04 139.05 54.89 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.195 0.598 . . . . 99.99 110.196 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.605 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 -69.47 133.81 48.17 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.669 0.606 . . . . 99.99 110.443 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -175.78 74.62 0.08 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.7 137.12 17.74 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.702 2.268 . . . . 99.99 113.103 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -112.56 161.34 16.89 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.497 1.119 . . . . 99.99 108.167 171.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -71.44 95.22 1.34 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.544 -0.909 . . . . 99.99 108.544 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.542 HG22 ' HB2' ' C' ' 126' ' ' LEU . 21.3 m -81.32 66.53 6.9 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.035 0.921 . . . . 99.99 111.15 -174.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -178.26 110.95 0.06 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.657 -1.611 . . . . 99.99 107.404 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . 0.447 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 49.5 t-80 175.52 123.74 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.165 1.386 . . . . 99.99 107.986 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 160.32 175.93 31.85 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 121.602 -0.332 . . . . 99.99 113.505 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 109.55 13.89 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 171.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.38 -35.41 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.406 1.082 . . . . 99.99 110.798 -171.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -144.65 132.63 21.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.999 0.919 . . . . 99.99 109.654 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' E' ' 5' ' ' THR . 7.6 mtmp? -141.65 125.6 10.07 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 123.863 0.865 . . . . 99.99 109.396 173.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' D' ' 14' ' ' GLN . 38.0 Cg_endo -62.87 93.88 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.775 2.316 . . . . 99.99 112.202 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . 72.99 153.37 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.297 1.439 . . . . 99.99 112.396 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.87 111.83 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.894 0.878 . . . . 99.99 109.143 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 4.2 p -135.41 110.35 8.79 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.968 -0.752 . . . . 99.99 108.968 170.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' E' ' 7' ' ' ALA . 8.7 p 179.04 164.76 0.89 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.013 0.925 . . . . 99.99 112.075 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 4.0 t -168.89 102.83 0.5 Allowed Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 125.173 1.389 . . . . 99.99 109.547 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . 0.429 ' HG2' ' HA ' ' B' ' 41' ' ' LYS . 31.7 Cg_exo -64.64 -169.69 0.12 Allowed 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.319 2.68 . . . . 99.99 113.365 169.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -143.37 146.62 36.79 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.032 0.933 . . . . 99.99 108.506 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.42 154.01 73.87 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 122.053 1.835 . . . . 99.99 111.673 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -70.13 -21.85 63.06 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.364 0.666 . . . . 99.99 111.039 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -163.12 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.695 -1.224 . . . . 99.99 107.695 171.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -137.67 -31.05 0.8 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.449 1.1 . . . . 99.99 108.354 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 68.29 22.06 8.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.132 1.373 . . . . 99.99 112.067 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 22.0 t -86.11 137.11 32.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.606 0.763 . . . . 99.99 109.399 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' B' ' 26' ' ' PRO . 3.9 m -122.05 150.75 57.11 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 124.591 1.156 . . . . 99.99 110.762 -170.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.9 125.05 16.2 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 123.352 2.701 . . . . 99.99 111.961 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.37 5.88 4.54 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.499 1.519 . . . . 99.99 112.677 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.408 HD23 ' HG2' ' B' ' 24' ' ' GLU . 77.5 mt 67.9 -69.52 0.14 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.313 1.445 . . . . 99.99 111.751 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 19' ' ' LYS . . . -85.56 -40.81 15.88 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.846 0.858 . . . . 99.99 111.958 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.516 HE22 ' HD3' ' A' ' 19' ' ' LYS . 43.3 mm-40 -99.16 -116.21 0.15 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 122.916 0.486 . . . . 99.99 111.023 -168.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.3 ptp -176.54 -33.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.646 1.178 . . . . 99.99 109.354 -171.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.5 p -100.8 99.73 10.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.45 1.1 . . . . 99.99 108.882 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.48 -28.88 67.42 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.309 0.855 . . . . 99.99 113.309 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -167.69 -174.46 2.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 107.708 -1.219 . . . . 99.99 107.708 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.21 11.42 0.16 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.379 1.072 . . . . 99.99 113.773 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.423 HD13 ' N ' ' E' ' 330' ' ' GLU . 2.4 pp -48.29 -32.25 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 126.057 1.743 . . . . 99.99 115.245 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.423 ' N ' HD13 ' E' ' 329' ' ' ILE . 33.0 tt0 -87.11 -32.07 20.1 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.367 0.531 . . . . 99.99 110.577 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.524 HD11 HG23 ' E' ' 458' ' ' THR . 3.0 tm? -64.13 -35.83 82.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.431 0.692 . . . . 99.99 109.536 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 94.3 mt -87.94 9.32 22.58 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.426 0.898 . . . . 99.99 113.426 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 55.4 p -68.33 -64.79 0.79 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.622 0.369 . . . . 99.99 110.455 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 23.08 0.49 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.275 1.03 . . . . 99.99 109.788 168.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 59.9 t30 71.96 105.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.668 1.587 . . . . 99.99 111.028 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.4 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 11.1 mm-40 -97.34 -37.97 9.83 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.507 0.67 . . . . 99.99 110.195 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' E' ' 336' ' ' GLU . 53.8 mmtt -98.63 -27.72 13.87 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.072 -0.967 . . . . 99.99 112.035 -159.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.43 41.83 3.1 Favored Glycine 0 N--CA 1.475 1.237 0 N-CA-C 114.399 0.52 . . . . 99.99 114.399 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -162.73 17.22 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.447 1.099 . . . . 99.99 109.777 169.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -75.67 159.75 30.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.75 0.82 . . . . 99.99 111.513 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.63 126.97 31.37 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.495 1.118 . . . . 99.99 111.265 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.59 31.1 0.81 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.834 1.254 . . . . 99.99 109.658 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.76 144.9 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 124.344 1.058 . . . . 99.99 111.408 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 90' ' ' GLU . 10.3 pt-20 -93.52 147.91 22.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.945 0.898 . . . . 99.99 109.821 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -169.38 59.45 0.19 Allowed Glycine 0 C--N 1.343 0.969 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.36 106.81 3.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.358 0.663 . . . . 99.99 110.366 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 22.0 p -148.82 68.0 1.06 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.525 0.678 . . . . 99.99 109.86 -175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.44 97.91 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.611 -0.885 . . . . 99.99 108.611 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.0 102.47 10.22 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.061 -1.089 . . . . 99.99 108.061 165.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 47.71 48.54 17.26 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.752 1.221 . . . . 99.99 111.783 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -71.45 -5.45 32.99 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.71 0.634 . . . . 99.99 112.71 -169.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -83.53 41.35 0.78 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.833 1.253 . . . . 99.99 110.802 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -54.14 -24.7 18.89 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.734 1.614 . . . . 99.99 114.317 -173.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -72.76 88.41 1.31 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.43 0.692 . . . . 99.99 109.814 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.57 -24.89 0.21 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.677 1.591 . . . . 99.99 113.565 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 21.6 m120 59.09 87.15 0.14 Allowed Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.067 1.347 . . . . 99.99 110.629 -167.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.33 -30.21 45.26 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.797 2.331 . . . . 99.99 111.896 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.8 p 49.55 -79.86 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.157 1.783 . . . . 99.99 113.338 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -69.35 -33.54 73.13 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.651 -0.527 . . . . 99.99 112.655 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 77.27 -53.17 0.55 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 126.358 1.863 . . . . 99.99 112.694 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . 0.417 HD12 ' HB ' ' E' ' 364' ' ' THR . 40.0 pt -62.54 -14.97 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.862 1.265 . . . . 99.99 113.833 -169.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 57.36 52.89 48.93 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.306 0.379 . . . . 99.99 112.502 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . 0.463 ' HB2' HG22 ' E' ' 365' ' ' VAL . 38.8 mt-10 66.97 14.7 9.94 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.031 1.333 . . . . 99.99 112.095 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 364' ' ' THR . . . . . 0.434 ' HA ' HD21 ' E' ' 167' ' ' ASN . 6.6 t 50.39 34.56 9.3 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 126.603 1.961 . . . . 99.99 113.315 -173.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . 0.59 ' HA ' ' HB2' ' E' ' 174' ' ' GLN . 35.8 m -124.2 145.29 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.395 0.678 . . . . 99.99 112.127 -176.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . 0.574 ' HA ' ' HB3' ' E' ' 169' ' ' SER . 1.1 t70 -145.33 -177.28 5.47 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.413 1.085 . . . . 99.99 109.073 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -49.68 -5.16 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 116.864 2.172 . . . . 99.99 116.864 -171.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . 0.471 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 2.3 m-20 -42.97 -42.26 3.69 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.606 1.562 . . . . 99.99 114.061 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.82 -36.25 75.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.888 -0.507 . . . . 99.99 110.623 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.84 -33.03 72.43 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.171 0.588 . . . . 99.99 111.297 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . 0.435 HG22 ' O ' ' E' ' 368' ' ' ASP . 1.8 m -88.66 -22.9 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.146 0.578 . . . . 99.99 110.94 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.1 -34.7 76.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.354 1.062 . . . . 99.99 111.543 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -22.23 66.69 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.168 0.587 . . . . 99.99 111.508 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -64.26 -22.45 66.95 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.568 0.747 . . . . 99.99 112.547 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.28 -31.88 64.04 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.864 1.266 . . . . 99.99 111.436 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.42 -23.47 66.3 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.281 1.032 . . . . 99.99 112.704 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.07 -18.3 64.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.222 0.609 . . . . 99.99 111.959 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.304 0.642 . . . . 99.99 111.868 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -71.41 3.08 4.08 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 124.086 0.954 . . . . 99.99 111.849 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.405 ' HZ3' HG23 ' E' ' 213' ' ' ILE . 0.8 OUTLIER -53.49 -58.07 8.43 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.261 -1.014 . . . . 99.99 108.261 162.318 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 63.75 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.051 1.34 . . . . 99.99 111.67 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -70.85 -86.14 0.15 Allowed Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.711 -0.494 . . . . 99.99 112.772 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.26 -49.39 0.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.169 1.787 . . . . 99.99 113.344 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 35.8 p -65.41 93.11 0.14 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.676 1.19 . . . . 99.99 112.463 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 36.42 55.76 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.22 1.808 . . . . 99.99 113.791 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.4 m -107.0 127.15 62.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.557 -0.747 . . . . 99.99 109.384 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.69 127.78 33.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.636 0.374 . . . . 99.99 110.071 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 10.9 p -72.25 147.15 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.828 0.851 . . . . 99.99 109.198 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 23.6 m -68.96 152.16 45.62 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.896 0.478 . . . . 99.99 110.273 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -50.13 112.78 0.73 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.235 1.014 . . . . 99.99 110.921 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.39 156.52 37.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.283 0.633 . . . . 99.99 110.15 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 83.8 t60 70.01 3.46 4.36 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.38 1.072 . . . . 99.99 112.29 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' E' ' 396' ' ' SER . . . -64.34 137.2 57.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.138 0.575 . . . . 99.99 110.785 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -56.18 -31.51 63.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.267 1.427 . . . . 99.99 112.659 -171.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -137.08 78.17 1.68 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.141 0.576 . . . . 99.99 110.061 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 396' ' ' SER . . . . . 0.562 ' HB3' ' HB3' ' E' ' 393' ' ' ALA . 30.0 t -165.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.668 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.81 -0.18 54.36 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.357 1.063 . . . . 99.99 110.669 -173.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.3 tt -57.38 126.85 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 124.426 1.09 . . . . 99.99 111.637 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.5 m 48.98 -153.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 126.454 1.902 . . . . 99.99 112.521 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 78.66 100.91 0.03 OUTLIER Pre-proline 0 C--N 1.368 1.375 0 C-N-CA 125.541 1.536 . . . . 99.99 109.461 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 130.54 20.78 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.749 2.299 . . . . 99.99 112.772 -173.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . 0.423 ' HA ' HG13 ' E' ' 224' ' ' VAL . 27.9 t70 -77.8 97.35 5.19 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.68 0.792 . . . . 99.99 109.419 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 49.4 p -70.68 -72.14 0.22 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -179.55 -82.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.718 1.207 . . . . 99.99 108.121 167.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 175.9 -53.6 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.514 1.526 . . . . 99.99 109.81 176.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.14 128.06 6.26 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 121.557 1.505 . . . . 99.99 111.478 173.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.66 106.78 3.3 Favored Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.741 -0.544 . . . . 99.99 111.741 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.55 -72.54 0.23 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 4.6 m 57.15 23.47 8.62 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.892 1.277 . . . . 99.99 112.346 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.11 131.51 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.088 1.355 . . . . 99.99 110.502 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 80.78 -52.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.808 1.643 . . . . 99.99 112.281 -175.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 2.9 tt 69.53 94.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.42 1.488 . . . . 99.99 109.003 -174.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -121.71 116.88 25.33 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.466 -0.939 . . . . 99.99 108.466 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 15.4 t -82.7 13.63 3.68 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.365 0.666 . . . . 99.99 111.634 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -101.7 36.23 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.63 1.172 . . . . 99.99 108.592 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.47 -8.43 58.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.209 1.404 . . . . 99.99 113.646 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -84.84 39.65 2.96 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 114.495 0.558 . . . . 99.99 114.495 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.28 72.75 0.5 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.587 1.155 . . . . 99.99 111.662 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' E' ' 420' ' ' MET . 8.2 m -74.24 -33.51 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 115.537 -0.756 . . . . 99.99 111.448 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 420' ' ' MET . . . . . 0.551 ' HG3' HG22 ' E' ' 419' ' ' VAL . 62.1 mtt -97.83 73.73 2.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.627 0.771 . . . . 99.99 109.767 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . 0.561 HG21 ' H ' ' E' ' 422' ' ' MET . 4.6 p -147.46 -165.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 422' ' ' MET . . . . . 0.561 ' H ' HG21 ' E' ' 421' ' ' VAL . 25.4 tpp 74.62 -133.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.719 1.208 . . . . 99.99 109.791 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 22.9 m 62.25 -72.08 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 125.021 1.329 . . . . 99.99 111.145 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -121.66 -53.49 1.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 68.52 -79.65 0.23 Allowed Glycine 0 C--N 1.357 1.714 0 O-C-N 124.108 0.88 . . . . 99.99 113.421 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.1 -55.49 33.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.061 1.345 . . . . 99.99 110.155 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 427' ' ' SER . . . . . 0.446 ' HB3' ' HG2' ' E' ' 429' ' ' GLU . 33.0 t 55.22 22.19 4.54 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.649 1.18 . . . . 99.99 112.608 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 51.41 15.36 0.31 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 126.932 2.093 . . . . 99.99 114.375 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' E' ' 427' ' ' SER . 40.3 mm-40 -60.23 -50.46 73.57 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.94 0.896 . . . . 99.99 110.347 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -59.94 -36.77 77.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.121 -1.4 . . . . 99.99 111.438 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -73.02 -23.67 60.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.716 0.807 . . . . 99.99 111.595 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.68 -26.81 61.75 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.058 0.543 . . . . 99.99 111.822 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -128.01 126.34 41.14 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.505 0.558 . . . . 99.99 112.505 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 178.1 -51.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.84 1.656 . . . . 99.99 107.994 167.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -86.2 97.73 10.52 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.797 0.839 . . . . 99.99 110.196 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -82.71 177.18 53.45 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 112.584 -0.206 . . . . 99.99 112.584 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 64.8 p -79.89 -0.76 36.28 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.193 0.597 . . . . 99.99 110.82 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -67.67 94.61 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 107.657 -1.238 . . . . 99.99 107.657 167.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' E' ' 440' ' ' ARG . 1.9 pp -166.94 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.221 1.009 . . . . 99.99 110.174 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.439 ' HG3' HD11 ' E' ' 439' ' ' LEU . 0.1 OUTLIER -90.66 69.36 6.66 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.671 0.788 . . . . 99.99 109.293 173.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 36.4 pt -105.38 3.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.658 0.783 . . . . 99.99 112.268 -172.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.64 84.99 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.774 0.829 . . . . 99.99 112.278 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 58.37 78.35 0.25 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.509 1.124 . . . . 99.99 111.437 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -67.96 101.6 1.14 Allowed 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.515 -0.766 . . . . 99.99 110.339 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.26 -172.09 30.84 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 115.234 -0.894 . . . . 99.99 111.28 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.07 129.58 24.83 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.377 2.051 . . . . 99.99 110.8 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . 0.505 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 74.6 m80 -90.91 -45.73 8.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.465 0.706 . . . . 99.99 109.999 -176.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -175.21 -93.17 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.502 1.121 . . . . 99.99 108.406 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.04 147.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.866 1.666 . . . . 99.99 107.74 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 3' ' ' GLU . 4.3 p-10 -87.41 141.69 28.44 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.063 -0.718 . . . . 99.99 109.063 171.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.613 HG13 HG22 ' E' ' 452' ' ' VAL . 13.4 p -103.38 170.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 114.889 -1.05 . . . . 99.99 109.368 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.613 HG22 HG13 ' E' ' 451' ' ' VAL . 40.8 t 73.68 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.657 1.183 . . . . 99.99 111.529 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -60.92 -49.98 72.58 Favored Glycine 0 C--N 1.355 1.613 0 CA-C-O 119.77 -0.461 . . . . 99.99 112.613 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.408 HD13 ' HE1' ' A' ' 56' ' ' TYR . 79.1 mt 56.94 60.41 3.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.355 1.062 . . . . 99.99 110.818 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 11.7 t -170.33 -174.42 1.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.907 -162.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.59 134.63 38.18 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.237 1.415 . . . . 99.99 109.562 161.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.9 153.19 51.92 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.731 0.812 . . . . 99.99 108.917 174.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.524 HG23 HD11 ' E' ' 331' ' ' LEU . 18.4 p -74.28 116.3 14.78 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.243 0.617 . . . . 99.99 109.81 172.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.58 160.58 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.449 1.1 . . . . 99.99 112.031 172.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.496 ' HG ' ' HB ' ' A' ' 46' ' ' THR . 2.4 tm? -154.02 -50.93 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.998 -0.741 . . . . 99.99 108.998 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -116.42 168.76 9.86 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 99.99 111.384 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.444 ' H ' ' HD1' ' E' ' 462' ' ' TYR . 0.5 OUTLIER -84.42 165.88 17.79 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.125 -1.398 . . . . 99.99 109.853 166.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 28.5 m -68.03 98.29 0.75 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.842 -0.799 . . . . 99.99 108.842 172.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.443 ' SD ' HD11 ' A' ' 42' ' ' LEU . 26.1 ttt -65.1 125.15 24.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.765 0.426 . . . . 99.99 110.17 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -82.58 97.23 8.37 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.032 -1.099 . . . . 99.99 108.032 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -75.6 -71.84 0.35 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.854 0.461 . . . . 99.99 110.315 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . 66.28 167.77 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.891 1.277 . . . . 99.99 111.993 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.497 HD21 HG23 ' A' ' 40' ' ' VAL . 2.2 pt? -170.93 178.59 3.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.52 0.728 . . . . 99.99 110.506 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -153.25 69.41 0.3 Allowed Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.611 -0.722 . . . . 99.99 111.371 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 38' ' ' PRO . 79.2 mt -71.62 128.78 36.93 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.05 -0.722 . . . . 99.99 109.05 171.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.805 0.842 . . . . 99.99 109.488 -173.11 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.9 mpp? . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.531 -0.914 . . . . 99.99 108.531 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -68.56 -62.38 1.42 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.333 0.653 . . . . 99.99 111.532 -175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 68.21 -91.76 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.735 1.214 . . . . 99.99 109.924 -168.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.604 ' HG2' ' HG3' ' A' ' 147' ' ' GLU . 3.0 mp0 49.92 -80.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.126 1.37 . . . . 99.99 112.512 -168.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 67.81 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 125.536 1.534 . . . . 99.99 109.2 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -62.82 -39.97 95.94 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.028 0.931 . . . . 99.99 112.711 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 m 53.01 -86.16 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 C-N-CA 124.276 1.03 . . . . 99.99 112.182 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.0 -17.48 3.1 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.292 1.037 . . . . 99.99 110.862 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.714 ' SD ' HD11 ' A' ' 89' ' ' ILE . 21.8 ptt? -70.73 147.59 48.87 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.57 0.348 . . . . 99.99 111.674 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' HB ' ' HB2' ' A' ' 87' ' ' ALA . 32.4 m -143.16 132.99 23.97 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.728 0.811 . . . . 99.99 110.377 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -123.21 133.77 54.19 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.688 1.195 . . . . 99.99 108.328 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -148.95 128.68 13.27 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.144 0.578 . . . . 99.99 109.734 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 34.4 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB3' HG23 ' B' ' 122' ' ' THR . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 17.02 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 50.99 110.295 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 18.45 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 13.15 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.547 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 6.92 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 22.19 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 43.73 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.64 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 75.3 m-70 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 63.88 115.304 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.632 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 73.6 109.714 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 99.99 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 50.91 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 67.81 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 99.99 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 81.17 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 83' ' ' ILE . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.23 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.647 HG13 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 75.11 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 32.98 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 27.21 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 28.74 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.528 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 35.81 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 19.33 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 29.68 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 25.47 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 80.58 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 99.99 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 40.21 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 30.66 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 59.79 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 30.86 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.447 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 20.96 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 21.28 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 80.87 107.949 173.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -117.71 110.38 17.78 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.449 ' HB ' ' CE1' ' A' ' 56' ' ' TYR . 10.0 tp -99.61 157.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.27 0.628 . . . . 99.99 109.877 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.43 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -147.3 145.06 29.23 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.248 1.019 . . . . 99.99 108.295 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.72 8.88 84.81 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 114.08 0.392 . . . . 99.99 114.08 169.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.714 HD11 ' SD ' ' A' ' 9' ' ' MET . 25.3 mm -120.11 139.59 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.124 0.97 . . . . 99.99 110.53 -175.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 174.54 13.98 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.76 -134.69 20.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-O 120.284 -0.176 . . . . 99.99 113.11 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -68.3 -38.22 81.41 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.58 0.752 . . . . 99.99 111.575 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HG2' HD13 ' A' ' 89' ' ' ILE . 7.1 tp60 -62.53 -37.44 86.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.261 1.024 . . . . 99.99 111.371 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.437 ' HA ' ' HE1' ' A' ' 94' ' ' MET . 4.4 tpt -76.01 -44.38 39.77 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.93 0.492 . . . . 99.99 110.528 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.19 -27.46 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.531 0.733 . . . . 99.99 111.647 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.409 ' C ' HD22 ' E' ' 454' ' ' LEU . 50.2 m170 -78.15 -58.91 3.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.623 -0.717 . . . . 99.99 110.635 172.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.55 ' SG ' HG22 ' E' ' 452' ' ' VAL . 42.2 t -39.09 -37.7 0.41 Allowed 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 125.595 1.558 . . . . 99.99 115.187 -161.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.14 -5.37 35.06 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 125.09 1.356 . . . . 99.99 114.599 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HB3' HD11 ' E' ' 454' ' ' LEU . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 99.99 114.32 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.794 ' H ' HD23 ' E' ' 454' ' ' LEU . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 99.99 111.463 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 79.06 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.647 ' HD3' HG13 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 59.39 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 99.99 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 83.34 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 HD22 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 42.55 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 17.98 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 13.2 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.499 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 36.0 111.093 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 15.85 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.572 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 19.0 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 5.43 111.012 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 18.83 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 22.63 110.809 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 6.65 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.442 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 88.83 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 51.92 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 39.96 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 11.33 110.357 173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 32.89 109.713 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 19.39 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.424 ' HB2' HG22 ' E' ' 133' ' ' THR . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 30.18 113.404 -175.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 90.79 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.585 ' HB2' HG21 ' E' ' 135' ' ' VAL . 6.6 m120 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 93.81 111.611 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 77.99 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.572 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 85.02 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m -115.95 114.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -106.14 78.34 1.3 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.533 ' HD2' ' HA ' ' E' ' 462' ' ' TYR . 50.1 m-85 -68.6 -8.48 42.27 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 116.415 -0.357 . . . . 99.99 111.673 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.36 -25.36 66.77 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 111.893 0.331 . . . . 99.99 111.893 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.95 69.64 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.211 0.604 . . . . 99.99 111.513 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD11 ' H ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.92 -21.62 20.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.071 0.548 . . . . 99.99 111.839 176.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -80.41 -54.22 5.89 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.942 0.337 . . . . 99.99 111.602 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.547 ' SD ' ' HA3' ' E' ' 453' ' ' GLY . 0.7 OUTLIER -65.27 -23.46 67.05 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.289 0.566 . . . . 99.99 110.691 175.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -66.4 -43.46 85.75 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.106 0.962 . . . . 99.99 109.287 172.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -65.88 -29.95 70.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.985 -1.007 . . . . 99.99 111.526 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -50.5 52.49 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.671 0.788 . . . . 99.99 112.135 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -170.31 -17.76 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.621 1.169 . . . . 99.99 111.074 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.12 27.39 9.44 Favored 'General case' 0 CA--C 1.572 1.791 0 C-N-CA 123.838 0.855 . . . . 99.99 110.121 -169.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -85.94 99.5 11.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 99.99 110.143 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -155.49 64.15 0.61 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.458 ' HA2' ' HB2' ' A' ' 4' ' ' GLN . . . -150.76 56.17 0.46 Allowed Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.303 -175.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.604 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 51.7 mt-10 60.66 -170.7 0.15 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.384 1.073 . . . . 99.99 112.716 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.87 -22.48 74.39 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.48 -0.782 . . . . 99.99 111.452 168.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 17.9 m -126.42 112.03 15.15 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.647 0.779 . . . . 99.99 110.045 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -62.42 137.88 58.34 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.595 1.158 . . . . 99.99 109.998 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 72.35 -56.28 0.65 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.619 1.568 . . . . 99.99 111.209 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 74.08 -63.7 0.42 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.907 1.683 . . . . 99.99 110.91 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.33 140.48 16.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.606 0.762 . . . . 99.99 109.091 166.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 80.28 7.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.391 -0.966 . . . . 99.99 108.391 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 CA-C-N 114.791 -1.095 . . . . 99.99 108.729 -178.071 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttp . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.192 -0.299 . . . . 99.99 110.192 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' E' ' 28' ' ' VAL . 62.2 p -134.1 -70.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.138 0.575 . . . . 99.99 110.343 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 60.47 31.32 20.28 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.704 0.802 . . . . 99.99 110.987 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -65.33 127.43 31.73 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.168 0.587 . . . . 99.99 109.977 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m120 61.96 38.17 14.49 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.199 1.0 . . . . 99.99 110.891 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -57.31 -56.62 19.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.075 0.95 . . . . 99.99 109.72 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.58 HG23 ' H ' ' B' ' 8' ' ' GLU . 2.0 m 66.32 -171.88 0.19 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 124.166 0.986 . . . . 99.99 110.4 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.58 ' H ' HG23 ' B' ' 7' ' ' THR . 11.0 mp0 -67.76 96.43 0.57 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.695 -0.854 . . . . 99.99 108.695 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.0 OUTLIER 66.74 163.27 0.18 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.371 1.869 . . . . 99.99 111.07 -169.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.446 ' N ' ' SD ' ' B' ' 9' ' ' MET . 10.0 t -154.85 115.44 3.9 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 -152.06 126.44 9.35 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 121.264 0.554 . . . . 99.99 112.21 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.474 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 61.13 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 99.99 111.052 -176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 22.84 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 25.35 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 18.25 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 41.37 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 15.07 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 29.37 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 11.41 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.459 ' CB ' ' HB1' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 27.88 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 51.27 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.57 ' O ' HG13 ' B' ' 31' ' ' VAL . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.57 HG13 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 99.99 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' E' ' 6' ' ' ILE . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 99.89 112.134 -172.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.459 HD21 ' N ' ' E' ' 8' ' ' LEU . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 99.99 110.109 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.65 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 99.99 107.357 173.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 89.58 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 50.34 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' E' ' 17' ' ' PRO . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 99.99 111.864 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 44.59 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 98.19 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 93.17 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 98.7 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 99.99 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 85.08 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 32.75 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 89.85 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.615 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 99.99 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 30.69 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 50.25 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.625 HG22 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 27.1 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 27.69 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 28.91 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 82.69 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 84.99 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 91.81 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 39.53 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 37.29 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 21.12 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 29.86 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 13.61 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.479 HG12 HD11 ' B' ' 21' ' ' ILE . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 13.23 109.843 -179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.615 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 36.68 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 12.8 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.404 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 51.05 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 99.99 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 99.23 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 99.99 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.557 HD13 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.414 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.557 ' SG ' HD13 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 99.37 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.485 ' HA2' HD21 ' E' ' 11' ' ' LEU . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 67.76 113.859 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 81.59 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.453 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 55.65 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 48.03 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 99.99 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 59.06 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 27.15 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 18.14 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 25.24 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 18.19 110.972 178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.753 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 76.84 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.544 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 28.75 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 30.1 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 17.12 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.81 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 50.71 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 23.64 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' C' ' 125' ' ' GLN . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 49.99 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 17' ' ' TYR . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 33.79 112.813 173.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 28.26 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 39.05 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HA ' HG13 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.538 ' HB3' HG23 ' E' ' 6' ' ' ILE . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 99.99 106.849 165.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 99.99 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.753 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 99.99 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 64.44 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.651 ' HG3' ' HH ' ' D' ' 109' ' ' TYR . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 75.43 111.965 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' E' ' 8' ' ' LEU . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.99 108.686 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.466 ' HB2' ' HA ' ' E' ' 1' ' ' MET . 9.0 m120 -77.31 80.35 3.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.92 -46.69 9.17 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.586 0.754 . . . . 99.99 109.826 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 138' ' ' MET . 6.4 p-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.307 1.043 . . . . 99.99 111.551 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.84 42.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.526 0.73 . . . . 99.99 111.883 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.72 -53.02 57.68 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.574 0.702 . . . . 99.99 110.157 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -72.91 -15.65 61.58 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.467 -1.242 . . . . 99.99 111.522 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.593 ' SD ' ' HB1' ' E' ' 87' ' ' ALA . 38.1 ttm -64.86 -34.71 79.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.219 0.533 . . . . 99.99 110.918 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . 0.474 ' HA ' ' OD1' ' E' ' 85' ' ' ASN . 51.8 m-80 -76.27 -16.97 59.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.147 -0.933 . . . . 99.99 111.775 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -88.34 -33.6 17.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.767 . . . . 99.99 110.404 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.37 37.13 0.85 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.113 0.958 . . . . 99.99 111.465 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' E' ' 85' ' ' ASN . 9.7 pt20 -62.59 -7.2 4.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.863 1.665 . . . . 99.99 113.877 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -72.54 80.84 1.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.984 0.913 . . . . 99.99 108.587 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.16 -42.18 93.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.789 -1.096 . . . . 99.99 110.844 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.26 0.82 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.24 -179.96 28.52 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.735 -0.666 . . . . 99.99 111.652 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.82 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.012 1.325 . . . . 99.99 113.202 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 88.83 60.25 1.52 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.851 -0.9 . . . . 99.99 110.851 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 10.7 m 67.65 160.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.387 1.475 . . . . 99.99 111.029 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -63.58 98.47 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.241 1.016 . . . . 99.99 110.288 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.82 -27.63 5.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.765 1.226 . . . . 99.99 109.672 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.485 ' HD1' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-70 -67.31 102.99 1.16 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.963 0.905 . . . . 99.99 110.849 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 60.19 37.95 20.4 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.216 0.947 . . . . 99.99 108.863 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.09 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.008 1.323 . . . . 99.99 109.991 -166.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.501 0.721 . . . . 99.99 109.191 178.235 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.523 ' HG3' ' H ' ' C' ' 2' ' ' SER . 12.0 ptm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.433 -0.317 . . . . 99.99 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.523 ' H ' ' HG3' ' C' ' 1' ' ' MET . 26.1 t -69.31 126.93 31.3 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.807 0.843 . . . . 99.99 110.242 -171.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 68.98 -70.61 0.13 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.544 1.537 . . . . 99.99 111.424 -174.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -38.37 -61.02 0.73 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.704 2.002 . . . . 99.99 113.818 -177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.69 79.13 3.33 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.6 t30 58.16 25.26 12.3 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.002 0.921 . . . . 99.99 111.961 169.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p 52.35 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.18 1.392 . . . . 99.99 110.405 -157.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' C' ' 9' ' ' MET . 9.6 tt0 61.86 -168.62 0.18 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.086 1.354 . . . . 99.99 113.105 163.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.533 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 3.3 mpp? 50.46 105.46 0.01 OUTLIER 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.265 1.426 . . . . 99.99 109.802 -163.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -101.73 123.69 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -121.59 117.13 25.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 167.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.593 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.596 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 82.71 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 99.99 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.443 HD13 HD21 ' A' ' 127' ' ' ASN . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 17.72 107.72 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.471 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 9.52 107.695 169.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 51.3 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 13.13 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 15.89 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 10.19 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . 0.517 ' HB3' ' HB1' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 26.52 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 43.6 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 57.64 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.645 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 78.76 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 99.99 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 72.29 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.488 HG21 HD12 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 99.99 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 99.99 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 99.99 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 90.89 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 55.92 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 78.18 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 57.25 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 99.99 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.403 ' HA ' ' CB ' ' C' ' 87' ' ' ALA . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.455 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 97.58 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD13 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 43.88 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 30.1 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 99.67 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 31.81 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.79 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.572 HG23 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 29.1 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 36.6 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 38.08 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 65.72 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 83.21 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 40.89 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.674 ' HB3' ' HH ' ' E' ' 297' ' ' TYR . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 38.89 109.248 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 66.65 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.401 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 32.91 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.401 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 14.84 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.835 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 26.52 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.477 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 12.17 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.518 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' D' ' 29' ' ' PRO . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 39.17 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.4 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 pt -156.63 124.1 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' C' ' 54' ' ' ASP . . . -164.33 36.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.394 0.516 . . . . 99.99 112.394 163.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.533 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -70.88 -41.92 61.46 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 109.942 -1.263 . . . . 99.99 109.942 161.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.444 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 44.3 mt 67.21 102.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.162 1.785 . . . . 99.99 112.571 169.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.459 ' H ' ' HB2' ' C' ' 94' ' ' MET . 62.8 tt0 -97.95 15.22 24.67 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.475 0.655 . . . . 99.99 109.764 167.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.83 -114.07 6.38 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 115.211 -0.904 . . . . 99.99 112.224 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' E' ' 443' ' ' ALA . 72.2 p -62.05 -26.22 68.13 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 99.99 112.681 -176.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -79.18 -48.79 13.61 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.954 -0.546 . . . . 99.99 110.502 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.559 ' HE3' ' HG ' ' E' ' 278' ' ' LEU . 36.7 ttp -65.18 -20.3 66.38 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.804 0.729 . . . . 99.99 110.822 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' E' ' 280' ' ' LEU . . . -61.3 -22.38 64.81 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.67 1.188 . . . . 99.99 111.819 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.07 -50.91 71.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.972 0.509 . . . . 99.99 110.178 173.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.485 ' SG ' ' HA ' ' E' ' 144' ' ' VAL . 90.6 m -59.28 -38.79 81.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.953 0.501 . . . . 99.99 111.251 175.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.568 HD23 HD13 ' E' ' 278' ' ' LEU . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 81.7 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 68.22 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.596 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.409 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 85.73 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.432 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 52.77 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 18.22 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.518 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 62.78 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 20.21 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 17.97 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 10.09 110.959 -176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 18.56 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.404 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 31.03 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' C' ' 21' ' ' ILE . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 26.09 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 21.24 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 14.3 111.392 -177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 10.17 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.578 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 12.08 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.403 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 54.79 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' SER . . . . . 0.683 ' HB3' HE22 ' C' ' 125' ' ' GLN . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 23.93 111.33 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 27.3 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 36.76 109.566 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.466 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 44.0 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.683 HE22 ' HB3' ' C' ' 119' ' ' SER . 14.5 mm-40 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.488 HD12 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 92.07 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . 0.404 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 43.42 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.458 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 64.09 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 45.54 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.499 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 40.22 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . 0.441 HG22 HG12 ' E' ' 288' ' ' VAL . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 98.11 108.964 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . 0.432 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 -81.78 -19.82 40.45 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.64 -22.8 63.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.656 1.182 . . . . 99.99 112.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -25.85 62.42 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.45 1.1 . . . . 99.99 113.431 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.23 -49.17 73.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.755 0.822 . . . . 99.99 110.882 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -82.26 -32.62 29.56 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.538 -0.755 . . . . 99.99 111.733 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -66.52 -40.2 89.03 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.994 0.918 . . . . 99.99 112.336 -171.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . 0.748 ' HB3' ' HB2' ' E' ' 450' ' ' ASN . 4.2 p30 -70.39 -34.9 73.09 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.951 0.5 . . . . 99.99 112.305 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.29 -87.67 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.187 -0.911 . . . . 99.99 111.03 -173.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 90.9 mt 42.12 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 126.245 1.818 . . . . 99.99 114.727 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -66.58 -17.96 65.11 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 125.245 1.418 . . . . 99.99 112.573 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 74.39 20.44 2.56 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.196 1.398 . . . . 99.99 113.329 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 72.26 -71.51 0.13 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 125.286 1.434 . . . . 99.99 111.605 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.33 16.93 2.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.224 1.009 . . . . 99.99 110.06 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.42 -70.54 2.62 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 115.7 -0.682 . . . . 99.99 111.85 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -151.44 -38.97 0.12 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.088 0.955 . . . . 99.99 110.23 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.69 -46.56 3.15 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.934 -0.575 . . . . 99.99 113.128 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.7 m 65.04 90.47 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.13 1.372 . . . . 99.99 111.225 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 50.19 18.69 0.43 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 126.651 1.98 . . . . 99.99 113.93 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.442 ' HG2' ' H ' ' C' ' 152' ' ' HIS . 25.5 tt0 -92.45 169.61 10.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.406 1.082 . . . . 99.99 109.538 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . 0.442 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 53.0 m-70 66.67 -79.59 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.032 1.333 . . . . 99.99 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 69.4 -71.32 0.12 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.471 1.509 . . . . 99.99 112.837 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.6 t70 72.65 -69.93 0.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.71 1.604 . . . . 99.99 111.268 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.514 0.726 . . . . 99.99 110.984 178.038 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 59.74 25.02 13.97 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.24 1.016 . . . . 99.99 112.437 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -134.68 163.42 29.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.697 1.199 . . . . 99.99 108.677 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.81 29.03 6.93 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.923 1.289 . . . . 99.99 108.22 -169.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -178.38 -29.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.857 -1.52 . . . . 99.99 108.641 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 71.09 -72.68 0.11 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.928 1.291 . . . . 99.99 112.543 168.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 61.9 p -59.4 -26.66 65.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.862 0.865 . . . . 99.99 112.767 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 69.37 148.82 0.07 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.118 1.367 . . . . 99.99 110.758 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -34.44 122.89 0.52 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.613 1.165 . . . . 99.99 111.588 166.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t -116.48 119.93 37.15 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 79.57 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' E' ' 305' ' ' ALA . 27.5 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.46 HD11 HG22 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 99.99 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 81.0 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' C' ' 28' ' ' ALA . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 28.79 109.908 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 14.92 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 58.5 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.578 HG23 ' HE1' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 14.63 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 15.53 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 6.05 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 14.28 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 16.78 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 22.87 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 21.13 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 30.2 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 64.18 112.206 -169.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.488 ' HZ1' ' HG2' ' D' ' 71' ' ' GLU . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 34.41 110.303 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 54.02 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 34.31 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.539 HG21 HD13 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 83.42 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.48 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.746 ' HB3' HH21 ' E' ' 314' ' ' ARG . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 99.99 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 97.22 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 99.99 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 62.54 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 55.71 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 61.91 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . 0.619 HE22 ' HA ' ' E' ' 99' ' ' ALA . 62.3 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.99 109.545 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.535 ' H ' HD21 ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 93.38 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 99.99 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.671 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 99.99 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.601 HG13 HD13 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 71.26 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.414 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 36.06 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 79.92 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.506 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.443 ' HA ' ' NH1' ' E' ' 314' ' ' ARG . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 22.5 108.656 166.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.416 ' H ' ' NH2' ' E' ' 314' ' ' ARG . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 23.18 109.422 172.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.525 HG22 HD11 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 24.43 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 32.61 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 25.12 108.874 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 49.15 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 32.34 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 33.15 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' HZ1' ' D' ' 34' ' ' LYS . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 19.1 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 12.32 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 8.66 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 19.44 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 10.02 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.708 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 29.4 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.3 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 65.32 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 99.99 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.422 ' H ' HD11 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 99.99 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.491 ' HE1' ' HA ' ' E' ' 100' ' ' LEU . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.576 ' HB2' ' HA ' ' E' ' 102' ' ' LEU . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 99.99 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 99.99 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.427 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 70.12 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 64.46 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 46.86 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 45.41 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 38.42 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.598 ' HA ' ' HB3' ' E' ' 312' ' ' PRO . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 87.71 111.842 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.46 HG22 HD11 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 35.35 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.601 HD13 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 21.86 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 12.38 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 8.42 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . 0.651 ' HH ' ' HG3' ' B' ' 130' ' ' PRO . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 15.0 112.021 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 17.35 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.671 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 12.17 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.56 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.525 HD11 HG22 ' D' ' 64' ' ' VAL . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 19.17 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 19.58 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 14.23 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.561 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 6.04 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 19.19 110.163 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 16.36 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 7.12 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 35.79 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.485 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 27.88 112.881 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 17.97 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 33.77 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 99.99 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 35.86 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 48.78 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.671 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 48.18 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.573 ' O ' ' HB2' ' E' ' 313' ' ' GLN . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 95.86 108.119 173.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.583 ' HB3' ' HG2' ' E' ' 313' ' ' GLN . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.52 -31.46 10.27 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' D' ' 138' ' ' MET . . . -58.95 -33.69 70.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.229 0.611 . . . . 99.99 111.947 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 tp -71.58 -33.26 68.91 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.526 0.73 . . . . 99.99 110.524 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.451 ' HA ' ' HE2' ' E' ' 109' ' ' TYR . 41.7 m-85 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.762 0.425 . . . . 99.99 110.86 173.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.427 ' SD ' ' HA ' ' D' ' 135' ' ' ALA . 41.5 mtt -67.68 -16.61 64.23 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.363 1.065 . . . . 99.99 112.05 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.87 -28.92 69.88 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.561 0.745 . . . . 99.99 111.508 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -75.69 -28.95 58.84 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.186 0.517 . . . . 99.99 110.349 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.08 -27.82 39.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.64 0.776 . . . . 99.99 111.585 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -81.27 45.84 0.88 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.365 0.666 . . . . 99.99 112.503 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -112.87 93.59 4.5 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . 0.527 ' HA ' ' HA3' ' D' ' 148' ' ' GLY . 23.5 pt20 -141.22 12.95 2.2 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.519 -1.673 . . . . 99.99 110.096 -171.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.92 65.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.629 0.771 . . . . 99.99 110.324 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.83 -44.02 90.16 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-N 115.709 -0.678 . . . . 99.99 111.741 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' D' ' 149' ' ' THR . 38.6 tt0 -168.03 -69.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.769 0.828 . . . . 99.99 109.173 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' D' ' 144' ' ' GLN . . . 55.68 51.79 52.6 Favored Glycine 0 C--N 1.357 1.722 0 O-C-N 123.787 0.679 . . . . 99.99 113.934 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 149' ' ' THR . . . . . 0.5 HG22 ' HG2' ' D' ' 147' ' ' GLU . 17.4 p -53.65 112.75 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.347 1.059 . . . . 99.99 112.903 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.36 -72.2 0.05 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.708 1.603 . . . . 99.99 113.634 167.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.41 -40.79 60.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.465 1.506 . . . . 99.99 113.17 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -98.23 18.0 17.32 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.261 0.624 . . . . 99.99 112.083 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . 0.42 ' HG2' ' OE1' ' D' ' 144' ' ' GLN . 74.4 mt-30 -107.42 -35.5 6.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.205 1.002 . . . . 99.99 108.859 171.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -164.6 -69.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.452 1.101 . . . . 99.99 108.164 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.02 1.328 . . . . 99.99 108.141 178.128 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.466 ' HA ' ' HB2' ' B' ' 132' ' ' ASN . 28.0 ttt . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.768 -0.456 . . . . 99.99 109.768 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -118.37 -37.8 3.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.337 1.055 . . . . 99.99 109.292 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.403 ' NE2' ' HB1' ' E' ' 305' ' ' ALA . 11.4 mm100 70.0 3.04 4.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.616 1.566 . . . . 99.99 114.103 171.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m 60.33 178.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.564 1.146 . . . . 99.99 112.39 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.416 HG22 HG22 ' E' ' 6' ' ' ILE . 11.6 m 68.19 169.45 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.096 0.959 . . . . 99.99 109.564 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' B' ' 126' ' ' LEU . 15.8 tt -47.77 120.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.229 1.011 . . . . 99.99 111.764 176.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.613 ' HA ' ' HG ' ' B' ' 128' ' ' LEU . . . -168.38 -90.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.552 -0.749 . . . . 99.99 109.252 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.728 ' HB3' HG21 ' B' ' 131' ' ' VAL . 7.3 tt -173.61 152.35 2.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.422 1.089 . . . . 99.99 108.648 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.74 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.575 0.75 . . . . 99.99 110.841 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -178.37 116.35 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 99.99 108.677 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.588 HD13 ' HD2' ' E' ' 15' ' ' PHE . 21.5 tp -73.34 130.83 83.68 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 123.323 0.649 . . . . 99.99 110.194 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' E' ' 11' ' ' LEU . 9.8 Cg_exo -73.89 58.01 3.97 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 123.758 2.972 . . . . 99.99 114.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.4 -78.81 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.413 1.485 . . . . 99.99 111.208 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -100.52 -178.74 3.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.972 0.909 . . . . 99.99 109.427 176.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.588 ' HD2' HD13 ' E' ' 11' ' ' LEU . 0.1 OUTLIER -157.59 164.96 36.74 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.527 0.731 . . . . 99.99 111.34 173.744 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 61.9 m -53.46 -43.65 95.99 Favored Pre-proline 0 N--CA 1.492 1.64 0 CA-C-O 118.221 -0.895 . . . . 99.99 112.829 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.471 ' HG3' ' HB3' ' B' ' 48' ' ' SER . 38.6 Cg_exo -48.88 116.99 2.45 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.74 1.627 . . . . 99.99 111.551 168.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t 74.28 105.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.707 1.203 . . . . 99.99 109.415 -166.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -125.78 137.31 53.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.228 1.011 . . . . 99.99 109.385 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 63.14 34.28 13.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.118 0.967 . . . . 99.99 110.804 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 91.68 0.29 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.455 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' E' ' 23' ' ' THR . 3.8 ptp180 -174.78 -47.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.61 1.564 . . . . 99.99 107.939 174.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' E' ' 22' ' ' ARG . 10.7 t -82.85 129.29 62.44 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.262 -0.881 . . . . 99.99 111.6 -168.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.77 168.14 16.08 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.755 2.303 . . . . 99.99 110.372 163.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.13 -77.9 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.147 0.579 . . . . 99.99 110.055 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.513 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 18.8 tmm? 177.07 -54.38 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.457 0 C-N-CA 124.548 1.139 . . . . 99.99 110.231 175.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 3.2 Cg_exo -79.47 131.85 9.72 Favored 'Trans proline' 0 C--N 1.393 2.885 0 C-N-CA 122.433 2.088 . . . . 99.99 111.281 175.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' B' ' 2' ' ' SER . 87.2 t -95.31 -60.07 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.169 0.588 . . . . 99.99 111.601 -173.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -91.46 -60.85 1.78 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.085 -0.384 . . . . 99.99 110.03 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.64 89.73 3.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.428 0.691 . . . . 99.99 109.273 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -59.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.871 0.732 . . . . 99.99 112.394 -169.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 176.9 -88.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.71 0.804 . . . . 99.99 109.46 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 166.16 -175.56 0.02 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 126.153 1.781 . . . . 99.99 107.334 -165.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.96 32.09 21.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.731 0.812 . . . . 99.99 111.407 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -90.95 -1.35 57.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.001 0.92 . . . . 99.99 110.402 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.29 -128.63 9.09 Favored Glycine 0 C--N 1.347 1.154 0 N-CA-C 111.45 -0.66 . . . . 99.99 111.45 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -155.65 114.18 3.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.053 -1.092 . . . . 99.99 108.053 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -93.83 14.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 99.99 111.22 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 78.9 p 51.95 -174.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.578 1.551 . . . . 99.99 113.253 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.36 92.47 4.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 123.388 0.675 . . . . 99.99 109.586 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -83.82 5.01 6.61 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.719 2.279 . . . . 99.99 112.17 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.43 1.12 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 116.235 -0.438 . . . . 99.99 112.042 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.33 13.83 71.01 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.467 -0.366 . . . . 99.99 112.96 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . 0.576 ' HA ' HG22 ' E' ' 48' ' ' THR . . . -133.76 120.57 20.71 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.535 0.734 . . . . 99.99 110.684 -170.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -172.66 -48.58 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.21 1.004 . . . . 99.99 110.401 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -95.48 100.34 12.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.413 0.685 . . . . 99.99 110.562 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt 60.0 20.37 9.46 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.869 1.268 . . . . 99.99 112.542 176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' THR . . . . . 0.576 HG22 ' HA ' ' E' ' 44' ' ' ALA . 36.4 p -84.21 82.34 8.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.851 0.861 . . . . 99.99 110.339 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.92 73.39 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 115.492 -0.777 . . . . 99.99 112.001 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -143.34 150.2 38.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.446 1.098 . . . . 99.99 108.835 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -71.48 -62.09 1.54 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.296 0.238 . . . . 99.99 110.687 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -70.67 -9.74 57.77 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.07 0.948 . . . . 99.99 113.159 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.11 -55.78 3.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.638 1.575 . . . . 99.99 114.572 -166.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 164.57 -28.47 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 124.461 1.104 . . . . 99.99 111.406 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 88.9 mt -43.54 -45.56 6.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.568 1.547 . . . . 99.99 114.506 -161.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.65 15.04 2.72 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.6 0.76 . . . . 99.99 110.312 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.32 -30.73 16.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.013 1.325 . . . . 99.99 110.298 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -151.57 -51.41 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.95 -1.023 . . . . 99.99 109.71 -172.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.07 -21.49 63.7 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.301 1.04 . . . . 99.99 112.794 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -136.95 142.4 42.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.252 0.621 . . . . 99.99 110.571 174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 73.14 -63.26 0.44 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.893 1.677 . . . . 99.99 112.131 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -72.59 159.29 85.73 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 124.198 0.999 . . . . 99.99 110.829 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.88 111.18 0.59 Allowed 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 123.108 2.539 . . . . 99.99 112.41 173.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.01 -81.55 0.12 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.245 0.618 . . . . 99.99 112.249 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -163.76 96.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -170.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.48 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.277 1.431 . . . . 99.99 111.556 -177.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 14.4 tt -146.17 -14.8 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 124.257 1.023 . . . . 99.99 111.187 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 67.2 mt 73.92 -63.55 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 126.201 1.8 . . . . 99.99 111.61 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.469 HD23 HD11 ' B' ' 13' ' ' ILE . 1.3 pp -66.62 86.88 0.12 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.283 1.04 . . . . 99.99 111.691 -173.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tt -175.41 -41.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 113.783 -1.553 . . . . 99.99 107.872 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp 56.77 76.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 125.242 1.417 . . . . 99.99 108.582 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.96 30.63 0.19 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 114.635 -1.166 . . . . 99.99 111.979 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 61.53 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.488 1.515 . . . . 99.99 112.524 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.58 79.91 0.29 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 111.878 -0.489 . . . . 99.99 111.878 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 75' ' ' MET . . . . . 0.406 ' SD ' HD11 ' E' ' 80' ' ' ILE . 17.8 mmt -154.52 153.63 31.78 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.653 1.181 . . . . 99.99 109.97 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.18 127.68 1.58 Allowed Glycine 0 C--N 1.349 1.251 0 N-CA-C 110.984 -0.846 . . . . 99.99 110.984 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.84 -28.37 66.0 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.888 0.875 . . . . 99.99 112.432 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 78' ' ' SER . . . . . 0.452 ' HB3' ' SG ' ' B' ' 97' ' ' CYS . 22.8 m -53.55 -46.87 70.38 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.745 0.818 . . . . 99.99 111.522 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -89.12 -40.1 13.15 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.493 1.117 . . . . 99.99 110.294 -175.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.406 HD11 ' SD ' ' E' ' 75' ' ' MET . 39.1 mm -69.2 -62.29 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.459 0.704 . . . . 99.99 110.609 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 54.5 m 70.8 134.13 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 O-C-N 125.003 1.439 . . . . 99.99 111.559 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 74.18 1.47 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.49 0.662 . . . . 99.99 109.776 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.8 13.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.809 -1.087 . . . . 99.99 110.456 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -148.03 -38.03 0.19 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.504 0.721 . . . . 99.99 111.058 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' B' ' 139' ' ' ASN . 62.7 t30 68.1 176.27 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.328 1.051 . . . . 99.99 110.077 -172.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 69.15 93.04 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.725 1.21 . . . . 99.99 111.011 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . 0.593 ' HB1' ' SD ' ' B' ' 138' ' ' MET . . . -144.19 70.41 1.29 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.408 0.683 . . . . 99.99 110.456 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -136.98 135.52 37.72 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.249 1.019 . . . . 99.99 108.445 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.17 157.92 14.96 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.75 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.146 0.978 . . . . 99.99 111.275 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.49 146.07 9.07 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 113.954 0.342 . . . . 99.99 113.954 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.12 -173.09 54.93 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.985 0.462 . . . . 99.99 114.023 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -83.8 92.83 7.84 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.773 0.829 . . . . 99.99 109.648 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -95.95 -176.21 3.63 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.38 1.072 . . . . 99.99 109.466 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -132.34 152.81 51.26 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.377 0.671 . . . . 99.99 110.767 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.3 -15.31 1.87 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.896 1.118 . . . . 99.99 115.896 168.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.51 HD12 HD23 ' E' ' 100' ' ' LEU . 3.2 tt -77.42 -35.8 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 118.099 0.95 . . . . 99.99 111.792 -167.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 48.39 77.82 0.09 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.062 1.345 . . . . 99.99 112.014 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . 0.619 ' HA ' HE22 ' D' ' 50' ' ' GLN . . . 79.98 140.15 0.07 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.384 1.874 . . . . 99.99 111.921 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.51 HD23 HD12 ' E' ' 97' ' ' ILE . 1.4 pp -139.23 67.35 39.39 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.476 0.71 . . . . 99.99 111.032 175.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.41 10.47 3.56 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.508 2.805 . . . . 99.99 112.822 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.576 ' HA ' ' HB2' ' D' ' 95' ' ' ALA . 76.6 mt 66.62 -83.04 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.401 1.48 . . . . 99.99 111.967 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.7 p -133.69 32.43 3.57 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.608 1.163 . . . . 99.99 108.894 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.84 -71.65 2.14 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 115.261 -0.881 . . . . 99.99 111.51 -176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.2 -176.32 3.5 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.098 0.959 . . . . 99.99 109.245 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -73.38 97.27 2.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.963 0.505 . . . . 99.99 111.957 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m 60.35 -81.03 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.72 1.608 . . . . 99.99 112.758 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . 0.443 ' HE1' ' HB3' ' E' ' 242' ' ' TRP . 67.9 m-70 74.25 -40.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.989 1.716 . . . . 99.99 113.457 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.451 ' HE2' ' HA ' ' D' ' 137' ' ' PHE . 8.5 t80 -63.92 128.71 37.03 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.661 -0.866 . . . . 99.99 108.661 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.58 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.549 0.739 . . . . 99.99 112.065 -171.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.4 69.81 10.44 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.675 -1.232 . . . . 99.99 107.675 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -160.72 -75.67 0.06 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.217 1.407 . . . . 99.99 107.656 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 79.6 tttt 64.42 153.75 0.06 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.768 1.627 . . . . 99.99 112.753 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -152.44 -61.54 0.16 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.878 0.871 . . . . 99.99 109.256 166.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.5 m 70.18 141.73 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.916 1.286 . . . . 99.99 110.962 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.45 32.53 4.43 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 122.208 -0.308 . . . . 99.99 112.488 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -145.16 138.45 14.18 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.141 1.376 . . . . 99.99 107.83 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.59 103.52 0.19 Allowed 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.052 2.501 . . . . 99.99 112.202 -175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.67 -175.79 4.62 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.584 0.754 . . . . 99.99 109.094 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.26 122.89 14.3 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.78 0.832 . . . . 99.99 109.91 168.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.766 HG13 ' HA ' ' E' ' 316' ' ' ASP . 82.1 t 63.44 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.167 0.987 . . . . 99.99 109.89 -174.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -158.17 -28.55 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.201 1.0 . . . . 99.99 111.386 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.62 -89.84 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.867 0.867 . . . . 99.99 112.523 -167.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -168.3 176.07 6.11 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.836 1.254 . . . . 99.99 109.444 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.03 178.15 4.49 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.049 0.94 . . . . 99.99 110.076 171.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.9 166.18 14.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.684 0.794 . . . . 99.99 111.758 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -148.83 -179.7 7.19 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.078 0.951 . . . . 99.99 110.533 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.82 -170.9 2.54 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.679 0.792 . . . . 99.95 110.318 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -131.92 140.31 49.0 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.959 0.504 . . . . 99.99 111.742 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -177.36 152.02 0.82 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.656 1.582 . . . . 99.99 108.873 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -166.21 -172.7 2.34 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 122.83 0.452 . . . . 99.99 109.962 -177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 51.1 p -93.54 171.3 8.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.373 0.669 . . . . 99.99 111.227 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 124' ' ' PRO . 26.0 p -91.4 -69.54 0.73 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.453 0.701 . . . . 99.99 110.555 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 132.86 125.07 2.6 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.243 -0.743 . . . . 99.66 111.243 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.585 HG21 ' HB2' ' A' ' 127' ' ' ASN . 9.0 t -101.05 138.69 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.318 0.647 . . . . 99.99 110.566 -171.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -137.62 -173.02 3.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.664 1.186 . . . . 99.99 110.286 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.449 HG21 ' H ' ' E' ' 465' ' ' LYS . 14.8 m 70.67 77.22 0.19 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.586 1.554 . . . . 99.99 111.422 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.476 ' HE2' ' HD2' ' A' ' 130' ' ' PRO . 75.8 m-85 -135.1 79.1 1.77 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.654 -1.157 . . . . 99.99 109.314 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -138.26 25.56 2.69 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 113.879 -1.51 . . . . 99.99 108.397 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 164.68 57.3 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.118 -0.947 . . . . 99.99 110.97 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -87.62 -175.27 5.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.467 0.707 . . . . 99.99 111.214 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 59.9 tp -53.67 -41.6 67.02 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.68 1.192 . . . . 99.99 111.939 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.83 138.96 5.58 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.889 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.485 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 4.6 p -157.62 133.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 123.735 0.814 . . . . 99.99 110.108 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.43 115.1 6.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.118 1.367 . . . . 99.99 108.204 176.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 18.6 tt -157.5 140.82 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 122.869 0.467 . . . . 99.99 110.358 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -138.74 151.56 47.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.635 1.174 . . . . 99.99 108.22 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -67.86 151.19 47.56 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.791 0.805 . . . . 99.99 112.194 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' C' ' 89' ' ' ILE . 36.7 mttm -137.74 159.93 40.63 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.585 1.554 . . . . 99.99 108.511 171.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.25 107.95 0.37 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.68 -39.55 4.66 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-N 114.434 -1.257 . . . . 99.99 113.48 -165.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -53.43 108.24 0.26 Allowed 'Trans proline' 0 C--N 1.391 2.763 0 C-N-CA 121.735 1.623 . . . . 99.99 112.907 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 9.5 t -150.64 160.24 43.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.454 1.102 . . . . 99.99 109.677 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 47.1 mm -64.47 -28.93 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 99.99 110.488 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -24.12 64.36 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.801 1.241 . . . . 99.99 113.237 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.39 -35.55 80.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.347 0.659 . . . . 99.99 110.65 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.9 mtm -99.1 -53.24 3.31 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.868 0.867 . . . . 99.99 111.051 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 60.37 23.24 12.77 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.978 1.311 . . . . 99.99 112.078 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -1.64 34.84 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.155 0.982 . . . . 99.99 113.024 -173.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.31 74.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.644 0.778 . . . . 99.99 111.371 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -113.92 150.8 33.18 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.532 0.733 . . . . 99.99 109.493 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -161.32 151.87 22.26 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.972 -0.851 . . . . 99.99 110.972 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . 0.577 ' H ' HD21 ' E' ' 163' ' ' LEU . 1.6 pt? -77.25 100.27 5.78 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.333 0.587 . . . . 99.99 110.401 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.89 76.54 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.978 0.911 . . . . 99.99 111.122 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 27.4 m 69.38 -74.04 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.642 1.577 . . . . 99.99 111.813 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.45 71.52 1.12 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.181 -0.768 . . . . 99.99 111.181 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -80.82 16.5 1.42 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.775 0.83 . . . . 99.99 112.217 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.66 10.87 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 C-N-CA 124.435 1.094 . . . . 99.99 110.365 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 20.4 m -54.46 -40.25 68.23 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 99.99 113.443 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 170' ' ' THR . . . . . 0.493 ' HB ' ' NE2' ' E' ' 252' ' ' GLN . 12.9 m 61.45 -77.36 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.136 1.374 . . . . 99.99 112.547 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 71.53 -55.81 0.65 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.854 1.662 . . . . 99.99 112.609 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.98 -75.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.676 1.59 . . . . 99.99 111.552 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.7 135.56 34.87 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -63.44 127.83 33.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.95 0.9 . . . . 99.99 111.931 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -112.93 -137.73 0.37 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.86 -175.03 0.2 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 124.63 1.172 . . . . 99.99 111.755 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.7 p -77.71 125.44 85.78 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.064 0.546 . . . . 99.99 109.675 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -80.79 6.34 5.57 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.055 2.503 . . . . 99.99 114.383 -167.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -169.81 -54.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 99.99 110.679 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -83.57 -170.0 2.84 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.578 -0.737 . . . . 99.99 112.114 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 pp -92.59 171.33 9.08 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 123.539 0.735 . . . . 99.99 109.796 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.43 127.2 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.811 0.845 . . . . 99.99 110.99 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 70.4 -82.18 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.61 1.564 . . . . 99.99 111.83 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 59.9 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.549 1.54 . . . . 99.99 113.23 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.81 -41.89 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.821 0.848 . . . . 99.99 110.065 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 33.1 p -90.32 40.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.037 0.935 . . . . 99.99 110.767 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 49.5 p -89.77 168.41 12.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 99.99 111.067 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -80.41 146.71 31.33 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.271 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 69.25 -74.92 0.07 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 124.836 1.254 . . . . 99.99 111.165 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 38.9 t -163.26 -59.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.399 1.079 . . . . 99.99 109.165 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.2 t80 55.68 -85.27 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.632 1.573 . . . . 99.99 112.388 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -73.18 115.38 5.12 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-O 119.016 -0.88 . . . . 99.99 112.537 -172.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.49 126.87 20.22 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.436 2.09 . . . . 99.99 110.816 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.9 m 69.76 110.08 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.676 1.235 . . . . 99.99 110.544 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -80.83 -151.91 0.08 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.787 0.835 . . . . 99.99 110.574 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 49.5 m -52.83 -44.42 66.68 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.721 0.808 . . . . 99.99 110.862 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 40.3 m -83.08 121.2 26.72 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 168.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.02 -36.49 84.57 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.375 1.07 . . . . 99.99 113.499 -168.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.637 ' HB2' HD22 ' E' ' 203' ' ' ASN . 95.0 mttt -114.76 -18.14 11.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.039 0.536 . . . . 99.99 110.167 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.468 ' HB3' ' HD3' ' E' ' 201' ' ' PRO 0.301 49.9 t 102.26 -72.03 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.703 0 C-N-CA 127.366 2.266 . . . . 99.99 113.585 172.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' E' ' 200' ' ' CYS . 2.7 Cg_endo -79.47 84.15 2.1 Favored 'Trans proline' 0 C--N 1.395 3.012 0 CA-C-N 123.214 2.184 . . . . 99.99 112.765 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 80.74 106.3 0.3 Allowed Glycine 0 N--CA 1.472 1.089 0 CA-C-N 116.229 -0.441 . . . . 99.99 113.198 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . 0.637 HD22 ' HB2' ' E' ' 199' ' ' LYS . 22.1 m120 -135.17 -74.38 0.46 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.942 0.897 . . . . 99.99 109.693 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.48 -176.68 3.0 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.875 0.87 . . . . 99.99 109.637 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 1.5 tt 75.38 132.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 125.184 1.394 . . . . 99.99 109.183 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 77.16 -16.93 0.6 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 126.055 1.742 . . . . 99.99 112.804 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -159.35 126.5 4.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.848 0.859 . . . . 99.99 109.475 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -170.73 33.54 0.16 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.246 -1.142 . . . . 99.99 110.246 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.62 109.1 2.69 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 114.867 -0.666 . . . . 99.99 111.945 -174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -92.02 1.26 57.31 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.513 1.125 . . . . 99.99 111.452 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -70.09 84.58 0.31 Allowed Glycine 0 C--N 1.353 1.489 0 C-N-CA 123.139 0.399 . . . . 99.99 112.856 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 17.6 t 63.65 106.79 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.98 1.712 . . . . 99.99 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 52.0 mm -122.14 -63.72 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.913 0.885 . . . . 99.99 109.719 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 15.3 t -166.19 24.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 122.076 0.941 . . . . 99.99 111.303 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . 0.498 ' HB3' ' HG3' ' E' ' 221' ' ' ARG . 0.6 OUTLIER -72.26 -9.21 58.17 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.995 1.318 . . . . 99.99 113.348 179.481 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.2 -39.65 2.12 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.671 1.588 . . . . 99.99 113.722 -166.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 6.8 tt -143.54 -50.42 0.32 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.732 -0.469 . . . . 99.99 109.732 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.93 100.36 0.41 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.65 0.78 . . . . 99.99 111.663 -166.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.3 m120 68.73 -0.39 2.36 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.484 1.514 . . . . 99.99 113.674 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 47.69 52.93 11.98 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 123.686 0.795 . . . . 99.99 109.704 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.498 ' HG3' ' HB3' ' E' ' 215' ' ' GLU . 81.4 mtt180 76.18 -66.7 0.25 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.989 1.716 . . . . 99.99 111.277 -170.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 58.65 87.72 0.07 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.305 1.042 . . . . 99.99 108.693 -164.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -65.93 96.59 0.31 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.541 -0.754 . . . . 99.99 110.854 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.4 m -110.19 169.68 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.889 0.875 . . . . 99.99 110.183 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.0 t -77.46 158.71 29.84 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.043 0.537 . . . . 99.99 110.28 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 69.1 mt 62.48 99.98 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.721 1.208 . . . . 99.99 111.625 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -144.38 18.1 2.08 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.986 -0.341 . . . . 99.99 113.058 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.17 63.26 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 123.318 0.485 . . . . 99.99 113.601 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 163.86 73.3 0.03 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.124 -0.79 . . . . 99.99 111.124 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -79.14 70.78 5.57 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.813 0.845 . . . . 99.99 111.077 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 55.87 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.75 1.62 . . . . 99.99 112.953 174.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 7.3 m -146.95 41.12 1.09 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.966 0.888 . . . . 99.99 108.655 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 66.88 -77.75 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.714 1.606 . . . . 99.99 112.591 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -145.09 35.01 1.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.84 . . . . 99.99 110.437 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 64.34 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.36 1.464 . . . . 99.99 110.574 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 3.6 t -115.69 -34.08 4.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.798 1.239 . . . . 99.99 110.484 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.76 1.624 . . . . 99.99 114.173 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 22.5 m 60.05 88.24 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.628 1.171 . . . . 99.99 110.827 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -79.49 69.07 5.68 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.637 0.775 . . . . 99.99 111.453 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 63.21 -145.9 50.2 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 119.474 -0.626 . . . . 99.99 112.438 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.46 -77.36 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.611 1.565 . . . . 99.99 110.513 176.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . 0.443 ' HB3' ' HE1' ' E' ' 108' ' ' HIS . 11.9 m-90 -59.58 -31.5 69.5 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.166 0.987 . . . . 99.99 110.226 171.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -96.6 116.11 28.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 169.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -71.2 -32.77 65.27 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.04 -0.424 . . . . 99.99 112.04 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 60.23 46.62 10.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.393 1.077 . . . . 99.99 109.662 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.539 HG21 ' HB3' ' E' ' 250' ' ' GLN . 52.1 m 76.95 -26.15 0.19 Allowed 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 125.541 1.536 . . . . 99.99 112.698 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.423 ' HA ' ' OE1' ' E' ' 250' ' ' GLN . 89.4 mt -50.46 -35.39 28.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.91 1.284 . . . . 99.99 113.476 -174.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -77.68 -59.5 2.76 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.271 0.629 . . . . 99.99 112.33 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.75 ' HB2' ' HD3' ' E' ' 327' ' ' LYS . 22.2 mp0 -83.98 -14.54 50.55 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.1 0.778 . . . . 99.99 113.1 -167.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.539 ' HB3' HG21 ' E' ' 246' ' ' THR . 17.3 pt20 -50.5 -53.65 28.33 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.867 1.062 . . . . 99.99 113.867 -168.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -90.79 -16.27 28.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.543 -0.753 . . . . 99.99 112.483 -170.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . 0.493 ' NE2' ' HB ' ' E' ' 170' ' ' THR . 18.0 pt20 -77.43 -23.53 50.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 117.673 0.215 . . . . 99.99 110.972 -178.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -90.9 -69.81 0.71 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.284 -0.636 . . . . 99.99 109.284 173.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 32.7 49.86 0.18 Allowed 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 126.787 2.035 . . . . 99.99 113.99 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -91.24 61.01 2.95 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.516 -0.765 . . . . 99.99 113.53 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -75.97 164.63 25.98 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.353 0.661 . . . . 99.99 110.851 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -88.92 -44.08 10.7 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.412 0.523 . . . . 99.99 112.412 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 93.1 mt 71.45 -171.98 0.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.424 1.09 . . . . 99.99 110.064 -162.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 21.8 t 61.58 25.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 122.992 1.377 . . . . 99.99 110.14 -175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 11.4 m -88.31 -4.86 58.62 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.369 -1.287 . . . . 99.99 113.237 -167.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -126.34 -71.23 0.7 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.287 0.635 . . . . 99.99 112.092 -164.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.39 85.83 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.07 0.548 . . . . 99.99 112.05 -170.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.02 98.34 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.856 0.722 . . . . 99.99 110.828 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 264' ' ' SER . . . . . 0.605 ' HA ' ' HB3' ' E' ' 430' ' ' ASP . 50.2 m -71.64 -34.27 69.63 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.339 -0.846 . . . . 99.99 111.119 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt 69.6 125.31 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.49 1.516 . . . . 99.99 110.378 -166.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -70.11 79.31 0.5 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.111 0.964 . . . . 99.99 110.45 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 23.2 p -175.99 -89.73 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.736 1.215 . . . . 99.99 109.346 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 22.0 t 26.16 -89.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 127.615 2.366 . . . . 99.99 115.004 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 269' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' E' ' 272' ' ' ASN . 20.7 m -144.45 -29.55 0.48 Allowed 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 119.205 -0.426 . . . . 99.99 111.176 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 73.36 -61.89 0.49 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.09 1.356 . . . . 99.99 109.907 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -72.0 4.74 3.17 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.834 1.254 . . . . 99.99 112.708 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.402 ' HB2' ' HB ' ' E' ' 269' ' ' THR . 38.6 t-20 -42.0 -41.93 2.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.137 2.175 . . . . 99.99 114.355 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -56.4 -17.04 6.78 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.857 1.263 . . . . 99.99 113.548 -167.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.49 -43.48 85.26 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.833 0.453 . . . . 99.99 112.099 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.592 ' HB2' ' HA3' ' E' ' 279' ' ' GLY . 0.0 OUTLIER -112.95 150.56 43.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 C-N-CA 122.943 0.497 . . . . 99.99 109.771 179.672 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.72 -79.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.036 1.824 . . . . 99.99 112.083 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.483 ' HB2' ' HB ' ' E' ' 435' ' ' THR . 1.8 pt? -146.37 -37.48 0.24 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.568 HD13 HD23 ' C' ' 98' ' ' LEU . 2.0 tm? -102.07 98.27 8.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 106.354 -1.721 . . . . 99.99 106.354 165.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . 0.592 ' HA3' ' HB2' ' E' ' 275' ' ' LYS . . . -148.14 77.86 0.24 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.496 -0.774 . . . . 99.99 112.252 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' C' ' 95' ' ' ALA . 9.8 tt -53.08 -43.92 67.15 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 164.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -66.31 89.28 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.235 -1.348 . . . . 99.99 110.929 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -172.81 -63.98 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.421 -1.325 . . . . 99.99 107.421 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -107.08 -55.62 2.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.127 -0.942 . . . . 99.99 110.061 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -86.45 136.82 14.44 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.488 -0.618 . . . . 99.99 112.314 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -175.48 138.65 0.41 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.395 1.078 . . . . 99.99 109.333 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -66.08 128.0 93.55 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 123.344 0.658 . . . . 99.99 110.369 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.79 86.37 1.39 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.736 2.291 . . . . 99.99 112.023 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.441 HG12 HG22 ' C' ' 131' ' ' VAL . 97.2 t -78.26 90.04 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 115.389 -0.823 . . . . 99.99 108.815 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -94.17 150.98 19.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.077 0.951 . . . . 99.99 109.848 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.458 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 -74.59 157.59 35.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.558 0.743 . . . . 99.99 111.301 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 162.17 176.1 33.9 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.39 136.89 56.58 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.622 2.881 . . . . 99.99 113.247 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' E' ' 294' ' ' LYS . 0.8 OUTLIER -146.42 173.19 12.5 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.243 0.617 . . . . 99.99 109.785 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . 0.415 ' H ' ' HG3' ' E' ' 294' ' ' LYS . . . -66.37 90.61 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.683 0.793 . . . . 99.99 110.427 177.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.412 HG21 HD22 ' C' ' 126' ' ' LEU . 5.1 m -116.18 23.03 12.46 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.174 0.99 . . . . 99.99 109.757 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.674 ' HH ' ' HB3' ' C' ' 73' ' ' ALA . 16.5 m-85 -127.64 135.65 50.53 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.306 1.042 . . . . 99.99 109.301 170.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -95.08 129.21 42.26 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.905 -1.146 . . . . 99.99 107.905 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -68.99 174.03 34.07 Favored Glycine 0 C--O 1.25 1.146 0 O-C-N 123.616 0.573 . . . . 99.99 113.864 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 18.1 m120 73.45 -74.56 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.414 1.486 . . . . 99.99 111.018 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 55.9 mt 75.09 -45.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 125.736 1.614 . . . . 99.99 113.245 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.38 139.06 40.8 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.646 -0.659 . . . . 99.99 110.709 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -147.92 75.48 10.86 Favored Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 124.943 1.297 . . . . 99.99 107.931 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.82 154.74 38.94 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.646 2.231 . . . . 99.99 111.677 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.41 ' H ' ' HB3' ' D' ' 12' ' ' GLN . . . 67.13 15.59 10.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.345 1.058 . . . . 99.99 113.223 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.11 139.07 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 81.7 p -135.2 163.37 30.1 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 99.99 110.485 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 47.3 t -144.36 144.26 31.35 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 35.9 m -60.6 112.43 5.59 Favored Pre-proline 0 CA--C 1.554 1.134 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.27 99.8 1.16 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.788 2.325 . . . . 99.99 111.806 -173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . 0.401 ' HB3' ' HB2' ' D' ' 130' ' ' PRO . 24.0 m120 -113.14 87.5 10.86 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 123.522 0.729 . . . . 99.99 109.552 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.598 ' HB3' ' HA ' ' D' ' 104' ' ' ASN . 16.4 Cg_endo -93.68 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 124.385 3.39 . . . . 99.99 113.765 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.583 ' HG2' ' HB3' ' D' ' 133' ' ' PHE . 2.0 mm-40 67.47 138.59 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 125.269 1.427 . . . . 99.99 112.662 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.746 HH21 ' HB3' ' D' ' 42' ' ' LEU . 0.3 OUTLIER 179.27 75.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.297 1.039 . . . . 99.99 108.726 -171.672 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . 0.457 HD21 HG13 ' E' ' 318' ' ' VAL . 24.3 p-10 -166.19 -67.52 0.03 OUTLIER 'General case' 0 C--O 1.244 0.814 0 CA-C-N 116.015 -0.539 . . . . 99.99 109.77 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . 0.766 ' HA ' HG13 ' E' ' 121' ' ' VAL . 12.6 t70 51.69 -79.21 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.251 1.02 . . . . 99.99 109.754 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 27.3 t -73.3 108.69 6.32 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.67 1.188 . . . . 99.99 110.288 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . 0.457 HG13 HD21 ' E' ' 315' ' ' ASN . 32.8 m -86.19 121.26 72.69 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.168 0.587 . . . . 99.99 110.81 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . 0.527 ' HG2' ' HB1' ' E' ' 322' ' ' ALA . 88.4 Cg_endo -84.76 -1.2 9.49 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.845 2.363 . . . . 99.99 112.292 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 29.9 m 73.81 -65.51 0.35 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.136 1.775 . . . . 99.99 112.092 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.63 HD22 ' SD ' ' E' ' 324' ' ' MET . 3.5 mp -79.93 -68.68 0.65 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.664 0.786 . . . . 99.99 110.1 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . 0.527 ' HB1' ' HG2' ' E' ' 319' ' ' PRO . . . 53.66 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.199 1.4 . . . . 99.99 111.94 -172.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -87.52 -64.16 1.19 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.957 0.503 . . . . 99.99 110.825 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.63 ' SD ' HD22 ' E' ' 321' ' ' LEU . 22.3 ptt? 45.26 21.23 0.06 Allowed 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.045 1.738 . . . . 99.99 114.613 -175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 47.2 p 48.71 -77.13 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.154 1.782 . . . . 99.99 112.519 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.46 156.35 35.13 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.35 1.06 . . . . 99.99 109.397 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.75 ' HD3' ' HB2' ' E' ' 249' ' ' GLU . 1.0 OUTLIER -130.63 -9.41 4.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.364 0.666 . . . . 99.99 110.772 179.285 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.72 5.15 14.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.752 0.821 . . . . 99.99 112.124 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.84 -31.94 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.772 1.229 . . . . 99.99 111.578 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.06 72.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.968 0.907 . . . . 99.99 112.736 -177.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.09 -39.47 90.05 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.007 -0.738 . . . . 99.99 109.007 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.52 173.37 12.04 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.436 171.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.6 m 65.47 18.99 11.48 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.671 0.789 . . . . 99.99 111.692 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 56.5 32.84 21.52 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.686 1.594 . . . . 99.99 112.426 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.47 88.92 0.09 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.112 0.965 . . . . 99.99 110.915 -175.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.71 153.53 30.82 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.477 0.311 . . . . 99.99 110.539 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' E' ' 416' ' ' ASP . 17.4 tppt? -165.91 152.95 9.94 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.921 0.488 . . . . 99.99 110.671 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.35 14.83 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.802 -0.636 . . . . 99.99 111.538 171.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.74 -44.63 13.17 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.017 -0.735 . . . . 99.99 109.017 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 53.78 -100.11 0.1 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 125.954 1.701 . . . . 99.99 113.281 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.38 -8.33 23.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.556 0.742 . . . . 99.99 111.253 -172.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.06 146.74 50.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.567 0.747 . . . . 99.99 110.498 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.99 141.29 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.884 0.874 . . . . 99.99 109.545 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -76.87 133.91 39.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.977 0.511 . . . . 99.99 109.719 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.21 -59.46 0.04 OUTLIER Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.247 -1.141 . . . . 99.99 110.247 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -75.43 -21.61 58.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.225 0.61 . . . . 99.99 109.693 169.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.3 t -65.42 88.92 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.951 0.9 . . . . 99.99 108.579 168.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.83 154.39 7.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.964 0.906 . . . . 99.99 109.763 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.72 129.2 55.36 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.54 144.12 49.7 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.815 0.697 . . . . 99.99 110.624 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -141.93 -25.55 0.67 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.254 1.021 . . . . 99.99 110.43 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 65.02 -176.05 0.17 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.124 1.37 . . . . 99.99 111.562 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -79.83 -38.59 32.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.797 0.439 . . . . 99.99 110.011 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 69.43 134.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.498 1.519 . . . . 99.99 111.945 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.68 100.15 1.81 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.739 -0.664 . . . . 99.99 109.661 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 63.28 83.5 0.2 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 124.305 1.042 . . . . 99.99 109.967 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.43 -64.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.883 2.389 . . . . 99.99 112.448 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 4.4 p -172.12 130.95 0.62 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.18 0.592 . . . . 99.99 110.606 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.2 1.64 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 110.598 -1.001 . . . . 99.99 110.598 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.5 -54.82 12.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.641 1.176 . . . . 99.99 111.128 -172.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 12.7 tt -135.99 114.92 15.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 126.33 -176.54 17.51 Favored Glycine 0 C--O 1.242 0.626 0 N-CA-C 110.823 -0.911 . . . . 99.99 110.823 -169.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 63.29 114.28 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.696 1.198 . . . . 99.99 110.858 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 23.9 m 68.98 -60.7 0.44 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 125.357 1.463 . . . . 99.99 111.457 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.46 107.3 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 123.698 0.799 . . . . 99.99 109.553 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -126.52 174.64 8.5 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.421 1.088 . . . . 99.99 109.997 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.39 -46.61 89.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 99.99 111.08 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.69 -35.15 79.44 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.24 0.616 . . . . 99.99 110.147 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.86 -34.9 70.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.935 0.894 . . . . 99.99 111.826 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.31 -14.89 58.76 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 113.542 0.942 . . . . 99.99 113.542 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.68 -23.75 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 C-N-CA 123.835 0.854 . . . . 99.99 112.542 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -58.26 -21.16 47.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.087 1.355 . . . . 99.99 113.393 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' E' ' 374' ' ' ALA . 0.0 OUTLIER -60.12 -26.54 66.32 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.741 0.416 . . . . 99.99 111.783 175.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' E' ' 373' ' ' ARG . . . -86.47 -27.14 24.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 99.99 111.377 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 35.5 tp -86.83 -15.79 38.11 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.936 0.895 . . . . 99.99 112.627 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -18.99 5.44 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.822 1.415 . . . . 99.99 114.822 -175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -53.98 -41.92 68.41 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.973 0.509 . . . . 99.99 111.11 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.98 67.87 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.266 1.026 . . . . 99.99 110.756 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.13 -14.69 57.44 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.066 -0.97 . . . . 99.99 111.403 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.44 -66.56 0.3 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.95 1.7 . . . . 99.99 110.801 -175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -120.48 -35.72 3.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.458 1.103 . . . . 99.99 109.373 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.45 -76.57 2.2 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.465 -0.789 . . . . 99.99 112.652 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' E' ' 386' ' ' VAL . 92.4 m-20 -89.75 70.33 7.7 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.02 0.914 . . . . 99.99 109.817 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 49.3 p -79.22 96.47 5.92 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.28 -1.327 . . . . 99.99 110.069 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.62 12.69 8.77 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.833 1.253 . . . . 99.99 109.744 -172.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' E' ' 383' ' ' ASN . 60.4 t -101.85 108.31 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.775 0.83 . . . . 99.99 109.087 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.36 119.55 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 107.745 -1.205 . . . . 99.99 107.745 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.09 115.08 3.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 108.006 -1.109 . . . . 99.99 108.006 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 30.9 m -69.7 106.51 3.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.363 0.665 . . . . 99.99 110.893 -168.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -160.15 86.86 0.77 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.75 120.68 43.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.643 0.777 . . . . 99.99 110.302 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 67.77 111.73 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.685 1.194 . . . . 99.99 111.021 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -68.4 -174.79 0.56 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.762 0.825 . . . . 99.99 109.536 167.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -61.98 -43.37 98.98 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 109.392 -0.596 . . . . 99.99 109.392 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 60.83 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.038 1.735 . . . . 99.99 114.87 160.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 17.8 m -51.09 -65.94 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.238 1.415 . . . . 99.99 113.196 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 50.2 84.92 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.432 1.093 . . . . 99.99 111.265 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.08 -55.72 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 108.354 -0.98 . . . . 99.99 108.354 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.01 137.1 58.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.58 -1.191 . . . . 99.99 107.91 168.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -115.86 80.74 9.01 Favored Pre-proline 0 N--CA 1.477 0.911 0 N-CA-C 109.003 -0.739 . . . . 99.99 109.003 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.26 154.08 28.29 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.222 1.948 . . . . 99.99 112.492 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.76 125.55 27.14 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.792 0.837 . . . . 99.99 108.764 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.7 t 49.11 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.11 1.764 . . . . 99.99 112.701 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' E' ' 404' ' ' LYS . 0.0 OUTLIER -79.47 169.74 17.6 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 121.435 -0.79 . . . . 99.99 111.143 174.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -159.29 108.01 1.53 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 109.098 -0.704 . . . . 99.99 109.098 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.35 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.98 2.453 . . . . 99.99 112.973 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 89.35 -58.77 3.83 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.063 -0.517 . . . . 99.99 112.087 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 81.5 mt 53.07 50.3 18.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.32 1.048 . . . . 99.99 110.482 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 58.3 m -61.7 99.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.047 -0.979 . . . . 99.99 110.58 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 76.82 -62.68 0.4 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.261 1.824 . . . . 99.99 110.874 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -162.83 -67.79 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.484 0.713 . . . . 99.99 110.592 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' E' ' 414' ' ' THR . 2.5 pt? -137.53 -176.74 4.51 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.32 0.648 . . . . 99.99 110.366 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.25 -34.36 60.59 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.484 1.113 . . . . 99.99 112.518 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 414' ' ' THR . . . . . 0.404 ' H ' ' HG ' ' E' ' 412' ' ' LEU . 32.3 m -66.55 -73.18 0.14 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.183 0.593 . . . . 99.99 110.229 176.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 173.85 -73.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.93 1.292 . . . . 99.99 107.97 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' E' ' 337' ' ' LYS . 10.8 p-10 -111.36 -39.9 4.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.002 1.321 . . . . 99.99 110.319 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 141.73 -54.5 0.62 Allowed Glycine 0 C--N 1.346 1.094 0 N-CA-C 110.986 -0.846 . . . . 99.99 110.986 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.43 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.904 1.282 . . . . 99.99 109.88 -172.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 4.6 p 48.19 21.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 C-N-CA 126.702 2.001 . . . . 99.99 114.726 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -85.22 138.55 32.27 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.439 -0.578 . . . . 99.99 109.439 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 2.8 p -161.82 -60.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.647 0.779 . . . . 99.99 109.171 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 422' ' ' MET . . . . . 0.545 ' HA ' ' HE1' ' E' ' 422' ' ' MET . 1.5 tpt -144.74 18.82 1.65 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.62 0.724 . . . . 99.99 109.5 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.7 m -82.43 33.44 0.41 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.65 1.18 . . . . 99.99 111.791 -172.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.2 86.8 2.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.616 1.166 . . . . 99.99 110.013 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -67.11 96.38 0.32 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -74.04 -69.69 0.43 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.004 0.521 . . . . 99.99 110.627 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 15.3 m -153.43 -20.81 0.14 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.585 0.754 . . . . 99.99 110.962 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 57.03 42.43 26.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.17 1.388 . . . . 99.99 108.919 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.11 3.5 34.53 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.349 -1.296 . . . . 99.99 113.894 -161.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . 0.605 ' HB3' ' HA ' ' E' ' 264' ' ' SER . 7.6 p-10 -72.73 -18.99 61.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.85 0.46 . . . . 99.99 111.674 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.2 p -57.68 -55.12 38.94 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.053 0.941 . . . . 99.99 112.004 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.439 ' NE2' ' H ' ' E' ' 432' ' ' GLN . 0.6 OUTLIER -90.83 -0.52 57.74 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.212 0.605 . . . . 99.99 111.446 170.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' E' ' 434' ' ' HIS 0.25 6.0 pt-20 41.34 -82.67 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.461 2.304 . . . . 99.99 113.952 -173.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . 0.644 ' H ' ' HG3' ' E' ' 433' ' ' GLU . 31.4 p-80 173.25 35.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.747 1.619 . . . . 99.99 107.835 -171.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 435' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 5.8 m -62.52 -25.1 67.85 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.192 0.997 . . . . 99.99 112.212 -171.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -76.11 -4.04 77.21 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-O 119.475 -0.625 . . . . 99.99 113.935 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 31.6 t 52.89 53.17 12.51 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.463 1.505 . . . . 99.99 112.274 174.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 75.69 -35.8 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.833 1.653 . . . . 99.99 113.131 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.5 mp 61.59 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.042 1.337 . . . . 99.99 111.232 -170.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 70.44 -55.93 0.61 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.115 1.766 . . . . 99.99 112.559 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.49 -29.8 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 123.197 0.599 . . . . 99.99 109.678 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 77.22 -64.08 0.33 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.044 1.738 . . . . 99.99 111.731 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' C' ' 92' ' ' THR . . . -155.84 130.19 8.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.851 0.461 . . . . 99.99 111.775 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . 0.442 ' H ' ' HB ' ' C' ' 92' ' ' THR . 97.2 m-85 -82.19 93.11 7.01 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 170.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -117.16 159.61 13.93 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.633 -0.537 . . . . 99.99 113.129 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.04 150.96 20.86 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.416 2.744 . . . . 99.99 112.631 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -89.52 -11.11 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.583 0.753 . . . . 99.99 110.97 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.17 30.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.566 0.746 . . . . 99.99 110.665 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -110.3 130.79 55.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.512 0.725 . . . . 99.99 110.339 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . 0.748 ' HB2' ' HB3' ' C' ' 139' ' ' ASN . 7.1 t30 -82.93 135.8 34.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.764 -0.458 . . . . 99.99 109.764 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.444 HG11 HG12 ' E' ' 452' ' ' VAL . 55.4 t -98.99 -74.3 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.534 0.734 . . . . 99.99 109.029 173.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.55 HG22 ' SG ' ' A' ' 97' ' ' CYS . 14.8 p -156.45 146.2 11.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.452 0.701 . . . . 99.99 109.13 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . 0.547 ' HA3' ' SD ' ' A' ' 138' ' ' MET . . . -161.06 131.0 2.48 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.065 -1.214 . . . . 99.99 110.065 176.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.794 HD23 ' H ' ' A' ' 101' ' ' TYR . 38.1 tp -163.6 138.34 6.13 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 117.284 0.542 . . . . 99.99 110.961 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 69.3 m -148.92 138.48 21.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.273 1.429 . . . . 99.99 108.249 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -142.82 132.23 23.54 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.34 -0.615 . . . . 99.99 109.34 171.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -148.0 8.11 0.84 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.713 1.205 . . . . 99.99 109.008 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 7.8 m -131.23 23.71 4.85 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.682 0.793 . . . . 99.99 110.205 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 70.84 -71.08 0.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.728 1.611 . . . . 99.99 111.603 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' E' ' 462' ' ' TYR . 34.5 tp -154.25 109.59 3.15 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.298 -0.63 . . . . 99.99 109.298 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -91.34 6.74 44.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.225 1.01 . . . . 99.99 110.901 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.544 ' HB2' HD13 ' E' ' 460' ' ' LEU . 2.7 m-30 -87.55 90.2 8.28 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 24.3 m -128.14 111.63 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.486 -0.931 . . . . 99.99 108.486 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -89.2 -172.4 3.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.391 0.676 . . . . 99.99 110.206 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . 0.449 ' H ' HG21 ' E' ' 137' ' ' THR . 82.9 tttt -80.97 -179.89 7.55 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.792 0.837 . . . . 99.99 109.317 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -42.85 135.9 2.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.108 1.363 . . . . 99.99 113.115 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -68.57 172.94 5.53 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.996 0.918 . . . . 99.99 112.201 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.632 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 2.2 tt -73.26 91.08 1.66 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.769 -1.105 . . . . 99.99 109.35 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -93.18 114.01 4.59 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 110.847 -0.901 . . . . 99.99 110.847 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.479 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 75.5 mt -89.92 100.82 13.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.273 0.629 . . . . 99.99 109.495 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.166 0.986 . . . . 99.99 110.287 -177.243 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.884 -0.413 . . . . 99.99 109.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -64.38 -55.73 19.1 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.022 0.529 . . . . 99.99 110.635 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 54.5 -79.88 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.924 1.69 . . . . 99.99 112.615 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.605 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 44.4 tp60 81.28 -27.08 0.14 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.563 1.945 . . . . 99.99 112.2 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 62.86 -84.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.577 1.551 . . . . 99.99 112.132 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -104.31 -20.55 13.72 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.871 0.868 . . . . 99.99 110.351 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.605 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 95.0 m 73.71 -63.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.215 1.406 . . . . 99.99 111.201 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.52 129.59 40.35 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.705 -1.22 . . . . 99.99 107.705 171.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.8 ptp -130.13 135.0 47.72 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.203 0.601 . . . . 99.99 111.118 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 147.0 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.892 1.277 . . . . 99.99 110.262 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -111.42 124.74 52.87 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.36 1.064 . . . . 99.99 108.461 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -142.55 134.5 27.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.974 0.51 . . . . 99.99 110.47 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 99.99 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 34.4 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' B' ' 122' ' ' THR . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 17.02 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 50.99 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.554 HD13 ' SD ' ' B' ' 117' ' ' MET . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 18.45 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 13.15 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 6.92 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 22.19 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 43.73 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 16.9 m-70 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.76 HG11 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.672 ' HA ' HD12 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.537 ' HG3' ' HA ' ' E' ' 471' ' ' LYS . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 63.88 113.209 175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG13 ' HG ' ' E' ' 468' ' ' LEU . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 73.6 109.804 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 99.99 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD23 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 50.91 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.69 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 67.81 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 99.99 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 81.17 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.23 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 75.11 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.69 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 32.98 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 27.21 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 28.74 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.701 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 35.81 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 19.33 108.473 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 29.68 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 25.47 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 80.58 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 HG11 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 99.99 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 40.21 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 30.66 110.074 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.52 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 59.79 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 30.86 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 20.96 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 21.28 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 80.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -82.06 116.31 21.59 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.492 HD13 HG23 ' E' ' 452' ' ' VAL . 9.4 tp -106.58 164.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.97 0.908 . . . . 99.99 108.749 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.76 140.96 22.21 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.716 -0.476 . . . . 99.99 109.716 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.9 -34.06 4.22 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 123.749 0.655 . . . . 99.99 114.655 169.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.572 HD11 HG21 ' E' ' 452' ' ' VAL . 4.0 mp -124.9 139.74 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.652 0.781 . . . . 99.99 109.354 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 91' ' ' GLY . 27.1 tt0 -147.41 174.8 11.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.777 0.831 . . . . 99.99 109.606 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' A' ' 90' ' ' GLU . . . 73.62 -148.74 40.71 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 123.79 0.71 . . . . 99.99 114.606 169.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 t -60.32 -27.65 67.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.161 0.985 . . . . 99.99 111.953 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -66.82 -41.24 87.81 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.975 0.91 . . . . 99.99 110.54 179.183 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 34.3 tpp -83.7 -23.94 31.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.687 0.795 . . . . 99.99 111.119 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.45 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 114.129 1.159 . . . . 99.99 114.129 -170.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 137' ' ' PHE . 44.3 p-80 -62.38 -31.21 71.85 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 117.672 0.215 . . . . 99.99 110.571 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 13.9 t -67.68 -42.52 81.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.725 0.81 . . . . 99.99 111.175 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.444 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp -68.41 -12.85 61.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.886 -1.052 . . . . 99.99 111.169 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.544 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 99.99 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.427 ' CD2' HD23 ' E' ' 454' ' ' LEU . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 99.99 112.932 -169.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 79.06 112.979 -176.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.75 ' HD3' HG13 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 59.39 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 99.99 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 83.34 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 42.55 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 17.98 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 13.2 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.431 ' HH ' ' HB3' ' C' ' 130' ' ' PRO . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 36.0 111.077 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 15.85 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 19.0 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 5.43 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 18.83 112.263 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 22.63 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 6.65 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 88.83 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 51.92 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 39.96 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 11.33 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 32.89 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 19.39 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' E' ' 130' ' ' ALA . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 30.18 111.925 170.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.52 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 90.79 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.589 HD11 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 93.81 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' E' ' 135' ' ' VAL . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 77.99 112.34 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 85.02 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.57 HG11 HD23 ' A' ' 44' ' ' LEU . 42.1 t -98.27 109.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.448 HD22 HG22 ' E' ' 458' ' ' THR . 6.0 t30 -91.65 92.08 8.29 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.386 -1.279 . . . . 99.99 108.714 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.534 ' HA ' ' CZ ' ' E' ' 461' ' ' PHE . 93.1 m-85 -68.78 -9.44 50.92 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 117.799 -1.096 . . . . 99.99 113.952 -173.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' E' ' 456' ' ' ASP . 74.6 m-20 -48.93 -38.35 22.58 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.557 0.743 . . . . 99.99 112.297 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.51 -18.59 62.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.748 0.819 . . . . 99.99 113.164 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.476 ' HB2' ' CZ ' ' E' ' 461' ' ' PHE . 12.8 tp -64.38 -20.04 65.88 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.635 0.774 . . . . 99.99 110.536 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 4.3 p90 -51.29 -41.78 60.69 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.645 0.979 . . . . 99.99 113.645 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.454 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 5.8 mmt -69.92 -49.27 53.6 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.407 0.622 . . . . 99.99 110.024 177.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.452 HD21 HD12 ' A' ' 136' ' ' LEU . 38.3 t30 -65.37 -24.72 67.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 113.633 -1.621 . . . . 99.99 111.707 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -85.75 -43.12 13.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.723 1.209 . . . . 99.99 109.609 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.07 -46.52 88.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.092 0.957 . . . . 99.99 111.045 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.73 -16.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.983 0.513 . . . . 99.99 112.032 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.69 97.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.557 1.143 . . . . 99.99 109.631 -169.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -146.2 105.53 3.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.82 141.24 4.01 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.958 0.903 . . . . 99.99 109.003 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.08 116.81 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.54 ' HB3' HG22 ' A' ' 149' ' ' THR . 44.7 mt-10 67.97 139.67 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.085 1.354 . . . . 99.99 112.165 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -91.67 49.75 2.87 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.038 -0.528 . . . . 99.99 111.797 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.54 HG22 ' HB3' ' A' ' 147' ' ' GLU . 9.8 t -149.54 154.02 38.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.051 0.94 . . . . 99.99 109.967 -176.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.68 136.97 45.57 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.864 0.866 . . . . 99.99 108.989 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 73.68 -35.65 0.32 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.442 1.497 . . . . 99.99 114.012 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.5 t60 63.88 -77.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.228 1.411 . . . . 99.99 109.529 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -176.48 129.38 0.2 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.668 1.187 . . . . 99.99 109.407 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.33 67.46 9.94 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.715 -1.129 . . . . 99.99 108.406 -177.151 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.227 -0.656 . . . . 99.99 109.227 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p 69.66 -55.44 0.58 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.006 2.122 . . . . 99.99 112.388 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 66.75 35.13 5.24 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.134 1.374 . . . . 99.99 111.358 175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.25 154.6 41.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.341 -0.845 . . . . 99.99 108.888 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.574 ' HA ' HG22 ' E' ' 39' ' ' THR . 0.8 OUTLIER 63.14 53.43 2.28 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 122.018 0.914 . . . . 99.99 109.384 -169.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -91.97 -90.47 0.17 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.186 -1.37 . . . . 99.99 109.585 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -171.75 -59.18 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.063 0.945 . . . . 99.99 109.375 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 178.92 75.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.542 -1.281 . . . . 99.99 107.542 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.559 ' HG2' ' H ' ' B' ' 10' ' ' THR . 9.6 ttt 65.0 172.02 0.2 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.279 1.432 . . . . 99.99 110.674 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.559 ' H ' ' HG2' ' B' ' 9' ' ' MET . 89.6 m -129.87 120.09 24.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.172 -1.418 . . . . 99.99 107.172 168.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -126.92 126.98 44.16 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 99.99 107.322 172.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 61.13 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 99.99 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 99.99 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 22.84 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 25.35 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 18.25 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 41.37 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 15.07 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 29.37 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.511 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 11.41 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 27.88 106.857 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 51.27 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.492 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.549 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 99.99 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HA ' HD21 ' B' ' 68' ' ' LEU . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' HG3' HE22 ' E' ' 3' ' ' GLN . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.599 HG23 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 99.89 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.422 HD13 ' H ' ' E' ' 7' ' ' ALA . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 99.99 109.562 172.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 99.99 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.682 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 89.58 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 50.34 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 99.99 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 44.59 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 98.19 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 93.17 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 98.7 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.531 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 99.99 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 85.08 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 32.75 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 89.85 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 99.99 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 30.69 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 50.25 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.506 HG22 HD12 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 27.1 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 27.69 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 28.91 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 82.69 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' B' ' 38' ' ' PRO . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 84.99 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 91.81 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.409 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 39.53 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 37.29 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 21.12 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 29.86 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 13.61 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.455 ' HA ' HD11 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 13.23 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 36.68 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.432 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 12.8 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 51.05 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 99.99 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 99.23 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 99.99 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.531 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.573 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.455 HG22 ' HB2' ' B' ' 141' ' ' LEU . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.534 ' SD ' ' HB3' ' E' ' 21' ' ' ALA . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' E' ' 15' ' ' PHE . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 99.37 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . 0.417 ' O ' HD22 ' E' ' 11' ' ' LEU . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 67.76 114.238 -174.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 81.59 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.427 ' HE1' ' HA ' ' E' ' 67' ' ' ILE . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 55.65 112.185 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 48.03 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 59.06 110.403 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 27.15 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 18.14 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 25.24 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.435 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 18.19 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 76.84 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 28.75 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.506 HD12 HG22 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 30.1 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 17.12 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.81 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.554 ' SD ' HD13 ' A' ' 21' ' ' ILE . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 50.71 109.54 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 23.64 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 49.99 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.485 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 17' ' ' TYR . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 33.79 111.607 176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . 0.492 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 28.26 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 39.05 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 99.99 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 99.99 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 99.99 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 64.44 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 75.43 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' E' ' 8' ' ' LEU . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.99 109.574 175.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 78.12 3.49 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -73.02 -3.65 27.45 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.324 -1.307 . . . . 99.99 111.301 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.24 -35.48 12.06 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.32 1.448 . . . . 99.99 111.716 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.36 73.39 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.93 0.892 . . . . 99.99 111.608 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.47 HD21 ' HE1' ' B' ' 140' ' ' TYR . 1.0 OUTLIER -79.29 -38.29 35.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 174.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.73 -15.3 59.81 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.619 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -70.82 -12.66 61.68 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.774 0.321 . . . . 99.99 110.964 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . 0.464 HD21 ' N ' ' B' ' 139' ' ' ASN . 0.7 OUTLIER -77.79 -29.52 50.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.537 0.735 . . . . 99.99 109.779 172.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . 0.47 ' HE1' HD21 ' B' ' 136' ' ' LEU . 33.6 m-85 -76.17 -27.61 57.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.147 0.979 . . . . 99.99 112.213 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.455 ' HB2' HG22 ' B' ' 92' ' ' THR . 2.9 pp -97.04 13.16 29.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.858 0.463 . . . . 99.99 111.716 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.57 138.22 58.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.823 0.849 . . . . 99.99 108.726 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -70.59 92.53 0.85 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.161 0.985 . . . . 99.99 109.621 -176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.4 -35.11 79.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.398 0.679 . . . . 99.99 111.437 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -103.47 97.12 7.22 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.061 -0.718 . . . . 99.99 109.061 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -69.23 -31.71 71.96 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.589 -0.732 . . . . 99.99 112.582 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -123.31 -54.84 1.78 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 99.99 108.769 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.57 76.96 0.64 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.572 -0.74 . . . . 99.99 111.711 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 18.2 m 72.8 159.65 0.22 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.178 1.391 . . . . 99.99 111.051 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -58.01 91.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.361 1.064 . . . . 99.99 110.396 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.62 -48.01 8.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.004 0.921 . . . . 99.99 110.012 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -80.78 98.66 7.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.424 -1.262 . . . . 99.99 110.285 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 76.37 -46.53 0.53 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.364 1.866 . . . . 99.99 113.811 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 p30 51.38 -170.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.188 1.395 . . . . 99.99 113.408 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.838 -0.601 . . . . 99.99 109.68 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.542 ' H3 ' ' HB3' ' C' ' 154' ' ' ASP . 26.8 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 119.751 -0.166 . . . . 99.99 111.377 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -74.08 80.79 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.224 -1.028 . . . . 99.99 108.224 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.576 ' HG2' HG21 ' C' ' 7' ' ' THR . 2.2 tm-20 68.74 -90.48 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.753 1.221 . . . . 99.99 108.149 -165.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 56.54 -73.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.416 1.486 . . . . 99.99 114.603 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -88.23 47.14 1.46 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.475 1.11 . . . . 99.99 112.82 -163.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.66 21.16 11.63 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 123.776 0.83 . . . . 99.99 110.934 172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.576 HG21 ' HG2' ' C' ' 3' ' ' GLU . 40.3 p 45.34 -84.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.615 1.566 . . . . 99.99 111.785 -164.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 64.13 147.41 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.722 1.609 . . . . 99.99 111.902 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.652 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 4.1 mpp? 60.24 109.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.563 1.145 . . . . 99.99 111.555 -172.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.557 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 30.9 m -112.62 96.99 6.29 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.938 -1.504 . . . . 99.99 106.938 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 -120.03 138.58 53.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.333 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 82.71 106.934 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.418 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 99.99 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 17.72 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 9.52 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 51.3 108.515 170.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 13.13 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 15.89 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 10.19 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 26.52 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 43.6 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 57.64 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 78.76 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 99.99 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.477 ' CE3' ' HB3' ' E' ' 297' ' ' TYR . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.495 ' HA ' ' HG ' ' C' ' 68' ' ' LEU . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 72.29 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.573 HG13 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 99.99 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 99.99 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.486 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 90.89 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 55.92 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 78.18 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 57.25 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 99.99 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.429 HG22 ' HG ' ' C' ' 85' ' ' SER . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 97.58 108.415 174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.591 ' HB2' HD13 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 43.88 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 30.1 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.548 HD22 HD11 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 99.67 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 31.81 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.79 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.498 HG21 HD22 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 29.1 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 36.6 109.683 -175.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 38.08 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 65.72 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' C' ' 38' ' ' PRO . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 99.99 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 83.21 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 40.89 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.567 ' HB1' ' HE1' ' E' ' 297' ' ' TYR . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 38.89 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 66.65 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.416 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 32.91 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 14.84 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 26.52 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.466 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.2 tp-100 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 12.17 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 39.17 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.435 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp -124.96 117.63 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.679 ' HB2' ' HD2' ' E' ' 276' ' ' PRO . . . -135.86 66.62 1.5 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.598 -0.89 . . . . 99.99 108.598 172.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -78.55 -103.32 0.21 Allowed Glycine 0 C--N 1.336 0.578 0 CA-C-N 114.114 -1.403 . . . . 99.99 111.654 176.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tp -172.81 57.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-O 122.263 1.03 . . . . 99.99 109.587 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.564 ' H ' ' HE3' ' C' ' 94' ' ' MET . 9.3 pt-20 51.21 -167.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 126.094 1.758 . . . . 99.99 113.699 169.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.02 -134.73 52.36 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 124.005 0.812 . . . . 99.99 114.234 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.685 HG23 ' HA ' ' E' ' 147' ' ' HIS . 73.0 p -81.92 -16.7 49.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.862 1.265 . . . . 99.99 111.899 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.446 ' NE2' ' HA3' ' C' ' 88' ' ' GLY . 0.2 OUTLIER -63.28 -50.74 68.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.899 0.88 . . . . 99.99 109.236 178.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.564 ' HE3' ' H ' ' C' ' 90' ' ' GLU . 17.2 mmt -60.88 -25.49 66.73 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 112.405 0.52 . . . . 99.99 112.405 177.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.73 67.91 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.59 0.756 . . . . 99.99 112.829 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . 0.51 ' CE1' ' HA ' ' E' ' 145' ' ' ASP . 75.2 m-70 -68.61 -51.53 41.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.835 0.454 . . . . 99.99 110.81 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.435 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p -76.09 -49.87 16.25 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.463 -0.789 . . . . 99.99 111.224 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 81.7 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 68.22 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 85.73 112.632 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 52.77 113.893 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 18.22 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.548 HD11 HD22 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 62.78 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 20.21 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . 0.468 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 17.97 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 10.09 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 18.56 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 31.03 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 26.09 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.552 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 21.24 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 14.3 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 10.17 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.546 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 12.08 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.52 HG23 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 54.79 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' SER . . . . . 0.403 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 23.93 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 27.3 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 36.76 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.551 ' HG2' ' H ' ' E' ' 297' ' ' TYR . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 44.0 112.518 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.473 ' O ' ' HB1' ' E' ' 295' ' ' ALA . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.573 HD11 HG13 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 92.07 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 43.42 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.598 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 64.09 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 45.54 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.431 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 40.22 113.332 175.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 98.11 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . 0.507 ' HB3' ' HE2' ' E' ' 286' ' ' MET . 75.4 m-85 -74.87 -33.55 62.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -58.56 -28.38 65.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 113.752 -1.567 . . . . 99.99 112.199 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.57 90.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.627 0.771 . . . . 99.99 111.937 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.71 -45.92 74.11 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 124.183 0.927 . . . . 99.99 110.907 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' E' ' 146' ' ' ILE . 81.5 m-85 -69.69 -47.42 63.24 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.148 -0.933 . . . . 99.99 110.262 175.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 46.3 ttm -58.76 -27.97 65.47 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 99.99 112.335 -173.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -57.51 -37.41 72.96 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.57 0.748 . . . . 99.99 112.067 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . 0.621 ' HB3' HD11 ' E' ' 146' ' ' ILE . 16.0 t80 -72.32 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 123.287 0.635 . . . . 99.99 110.282 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.05 173.6 15.81 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.944 -1.097 . . . . 99.99 110.966 -170.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' E' ' 145' ' ' ASP . 61.7 tp60 -157.0 -46.33 0.07 Allowed 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.837 0.711 . . . . 99.99 110.872 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 64.44 29.49 13.39 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.026 0.93 . . . . 99.99 110.222 -172.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 63.56 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.099 1.36 . . . . 99.99 111.62 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -170.08 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.906 1.282 . . . . 99.99 109.006 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.68 -102.06 2.77 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 111.329 -0.709 . . . . 99.99 111.329 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' C' ' 149' ' ' THR . 8.4 pt-20 -152.81 -36.97 0.11 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.645 0.778 . . . . 99.99 110.552 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.34 16.11 73.16 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-N 115.909 -0.587 . . . . 99.99 113.509 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' C' ' 147' ' ' GLU . 31.2 m 58.73 82.09 0.15 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 124.672 1.189 . . . . 99.99 110.992 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 60.27 98.01 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.345 1.058 . . . . 99.99 111.463 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 164.37 26.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.698 0.399 . . . . 99.99 110.308 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.03 -41.47 87.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.208 -0.905 . . . . 99.99 109.44 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 76.28 -56.8 0.57 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.705 1.602 . . . . 99.99 112.008 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . 0.542 ' HB3' ' H3 ' ' C' ' 1' ' ' MET . 7.3 m-20 73.76 1.36 3.91 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.674 1.19 . . . . 99.99 112.859 172.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.139 0.975 . . . . 99.99 108.496 178.304 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t 66.4 31.58 8.14 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.373 1.069 . . . . 99.99 110.683 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.654 ' HG2' ' H ' ' D' ' 4' ' ' GLN . 12.6 tt0 -128.46 -158.28 0.87 Allowed 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.767 1.227 . . . . 99.99 108.764 -173.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.654 ' H ' ' HG2' ' D' ' 3' ' ' GLU . 68.5 mm-40 73.49 -67.71 0.25 Allowed 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.777 2.031 . . . . 99.99 111.702 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.21 -34.03 68.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.331 1.052 . . . . 99.99 111.078 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 t30 76.84 -49.87 0.56 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.774 1.63 . . . . 99.99 112.79 172.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -51.37 -61.78 2.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.522 1.129 . . . . 99.99 111.943 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.441 ' HB3' ' HB1' ' E' ' 87' ' ' ALA . 13.2 tp10 175.17 141.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.856 1.262 . . . . 99.99 108.121 -177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.486 ' HG2' HG21 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -35.42 124.56 0.64 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.915 0.886 . . . . 99.99 110.864 165.044 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m -112.24 117.7 33.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.507 ' HD2' HG23 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 79.57 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.509 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.447 HD11 ' SG ' ' E' ' 308' ' ' CYS . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 99.99 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 81.0 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 28.79 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 14.92 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 58.5 110.843 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.546 HG23 ' HE1' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 14.63 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 15.53 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 6.05 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 14.28 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 16.78 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 22.87 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 21.13 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 30.2 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 64.18 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 34.41 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . 0.461 ' HA ' ' CZ3' ' E' ' 131' ' ' TRP . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 54.02 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 34.31 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 83.42 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 99.99 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 97.22 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.439 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 99.99 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 62.54 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.446 ' H ' ' HA ' ' E' ' 106' ' ' TYR . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 55.71 109.789 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 61.91 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.99 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 93.38 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 99.99 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 99.99 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.462 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 71.26 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 36.06 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.466 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 79.92 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.466 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 22.5 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.482 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 23.18 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 24.43 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 32.61 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 25.12 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 49.15 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 32.34 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 33.15 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 19.1 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' D' ' 31' ' ' VAL . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 12.32 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 8.66 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 19.44 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . 0.482 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 10.02 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 29.4 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.3 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 65.32 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 99.99 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' D' ' 11' ' ' PHE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 99.99 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.494 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.538 ' HG2' HD11 ' E' ' 97' ' ' ILE . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' E' ' 102' ' ' LEU . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 99.99 112.162 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 99.99 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.722 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 70.12 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 64.46 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.542 ' HD1' ' HZ2' ' E' ' 65' ' ' LYS . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 46.86 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.722 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 45.41 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 38.42 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 0.8 OUTLIER -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 87.71 111.003 177.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 35.35 110.762 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 21.86 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 12.38 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 8.42 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 15.0 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 17.35 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.538 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 12.17 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.56 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.448 HG22 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 19.17 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 115' ' ' THR . . . . . 0.465 HG21 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 19.58 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 14.23 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.575 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 6.04 111.675 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 19.19 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 16.36 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 7.12 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 35.79 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.457 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 27.88 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 17.97 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 33.77 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 99.99 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.473 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 35.86 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' E' ' 123' ' ' ASP . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 48.78 109.514 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.538 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 48.18 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.651 HG21 HG23 ' E' ' 121' ' ' VAL . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 95.86 111.01 -168.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -39.98 63.38 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.03 0.932 . . . . 99.99 111.768 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.03 -47.2 59.96 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.272 0.629 . . . . 99.99 110.336 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -62.63 -38.57 90.74 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.664 0.603 . . . . 99.99 111.607 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 72.0 mtm -73.71 -26.44 60.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 99.99 111.518 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -71.76 -26.8 62.6 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.654 0.782 . . . . 99.99 111.077 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.516 ' O ' ' HG3' ' D' ' 143' ' ' GLN . 23.6 m-85 -72.09 -16.15 62.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.884 0.698 . . . . 99.99 112.884 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 43.4 tp -44.19 -25.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.792 1.237 . . . . 99.99 113.657 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.86 47.66 0.15 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.116 1.766 . . . . 99.99 113.134 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' D' ' 140' ' ' TYR . 29.2 mt-30 -112.93 83.95 1.91 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 123.24 1.495 . . . . 99.99 108.592 -174.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' E' ' 221' ' ' ARG . 2.4 pp0? -142.66 -6.57 0.88 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 111.303 -2.68 . . . . 99.99 107.648 166.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.08 -66.01 0.65 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.424 1.09 . . . . 99.99 110.781 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.51 -55.65 24.18 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 111.935 -0.466 . . . . 99.99 111.935 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.95 -61.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 102.21 41.43 2.41 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.468 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -85.6 82.34 8.29 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 109.874 -0.417 . . . . 99.99 109.874 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . 0.706 ' HG2' ' HG3' ' D' ' 151' ' ' GLU . 34.9 tt0 59.73 -84.59 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.149 1.38 . . . . 99.99 112.773 172.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.706 ' HG3' ' HG2' ' D' ' 150' ' ' GLU . 0.0 OUTLIER -140.06 -105.81 0.16 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.171 0.588 . . . . 99.99 112.0 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.29 7.1 14.8 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 118.765 0.711 . . . . 99.99 112.344 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.427 0.691 . . . . 99.99 110.87 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -163.09 -70.99 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 166.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.565 -1.207 . . . . 99.99 108.247 177.068 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 111.171 0.063 . . . . 99.99 111.171 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -77.45 151.79 34.55 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.889 -0.412 . . . . 99.99 109.889 176.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.501 HE22 ' HG3' ' B' ' 39' ' ' GLU . 23.1 tt0 66.38 114.06 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.47 1.107 . . . . 99.99 110.113 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -71.34 155.05 41.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.238 0.615 . . . . 99.99 111.533 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.0 m -66.14 127.47 32.27 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.204 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.48 163.91 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.679 0.791 . . . . 99.99 111.544 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.422 ' H ' HD13 ' B' ' 42' ' ' LEU . . . -162.22 -58.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.374 0.67 . . . . 99.99 110.231 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' B' ' 131' ' ' VAL . 6.2 tt -153.17 127.32 9.1 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 106.774 -1.565 . . . . 99.99 106.774 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -87.03 0.31 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.315 0.646 . . . . 99.99 110.592 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.53 HD11 ' H ' ' E' ' 11' ' ' LEU . 0.2 OUTLIER -168.64 150.7 4.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.021 -1.103 . . . . 99.99 108.021 -175.147 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.574 HD23 ' H ' ' E' ' 11' ' ' LEU . 2.0 pt? -117.1 154.43 49.9 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 124.39 1.076 . . . . 99.99 110.307 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.23 119.51 6.81 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.709 2.273 . . . . 99.99 111.673 171.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.516 ' HG ' HD13 ' E' ' 14' ' ' LEU . 56.8 tp -60.73 143.36 54.54 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.608 1.163 . . . . 99.99 110.706 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . 0.516 HD13 ' HG ' ' E' ' 13' ' ' LEU . 7.3 mp 78.75 149.48 0.1 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.649 1.58 . . . . 99.99 111.928 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' B' ' 98' ' ' LEU . 72.2 m-85 -120.42 -150.0 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.613 1.165 . . . . 99.99 109.435 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 15.4 m -107.07 -49.22 0.1 Allowed Pre-proline 0 CA--C 1.577 2.009 0 C-N-CA 124.02 0.928 . . . . 99.99 113.235 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.42 -87.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.069 0 C-N-CA 122.606 2.204 . . . . 99.99 113.042 -170.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.97 92.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.332 0 N-CA-C 107.929 -1.138 . . . . 99.99 107.929 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -146.97 1.2 0.76 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.894 -1.048 . . . . 99.99 111.019 -169.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.11 23.64 0.46 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.822 -0.549 . . . . 99.99 112.106 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.573 ' HA ' ' H ' ' B' ' 91' ' ' GLY . . . -69.49 -51.3 37.18 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.91 0.884 . . . . 99.99 111.133 175.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.427 ' HB2' HD12 ' E' ' 14' ' ' LEU . 1.3 tmm_? -86.54 77.62 9.37 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 14.6 t -153.32 148.51 20.02 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.052 -0.976 . . . . 99.99 109.083 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.67 135.54 26.25 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.811 1.674 . . . . 99.99 110.333 168.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . 0.423 ' HG3' ' HD2' ' E' ' 27' ' ' PRO . 14.2 tp10 -62.35 -59.63 4.72 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.559 0.744 . . . . 99.99 109.616 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.295 88.2 mtp 97.61 -61.47 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 127.858 2.463 . . . . 99.99 113.966 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' HG3' ' E' ' 25' ' ' GLU . 24.6 Cg_exo -65.6 84.9 0.22 Allowed 'Trans proline' 0 C--N 1.402 3.379 0 CA-C-N 123.191 2.176 . . . . 99.99 112.631 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.68 -26.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.416 1.086 . . . . 99.99 109.538 174.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -87.47 -176.71 5.7 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.639 1.176 . . . . 99.99 108.739 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.58 96.98 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.457 1.103 . . . . 99.99 111.693 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -73.76 -25.88 60.38 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.458 0.703 . . . . 99.99 111.336 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 71.63 -71.11 0.14 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.531 1.532 . . . . 99.99 108.953 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.48 -75.63 0.56 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 108.342 -0.985 . . . . 99.99 108.342 170.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.82 28.96 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.695 1.198 . . . . 99.99 113.004 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -162.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 108.936 -172.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.39 -66.8 0.3 Allowed Glycine 0 C--N 1.342 0.883 0 CA-C-N 115.351 -0.841 . . . . 99.99 111.744 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -150.65 157.3 42.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.256 0.622 . . . . 99.99 109.745 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -43.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 123.786 0.834 . . . . 99.99 109.146 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' THR . . . . . 0.574 HG22 ' HA ' ' B' ' 5' ' ' ASN . 46.0 p 48.65 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.083 1.753 . . . . 99.99 113.701 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.51 89.32 13.78 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.208 0.603 . . . . 99.99 109.429 174.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.73 -2.26 11.61 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.127 2.551 . . . . 99.99 111.719 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.27 -143.24 27.04 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.461 0.476 . . . . 99.99 113.198 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.34 28.58 5.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.075 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' E' ' 48' ' ' THR . . . -64.04 98.55 0.22 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.101 0.96 . . . . 99.99 109.814 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -146.02 -53.43 0.26 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.656 -169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -138.11 91.66 2.59 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.566 -1.272 . . . . 99.99 107.566 -173.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 52.52 39.63 28.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.725 1.21 . . . . 99.99 111.524 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' E' ' 44' ' ' ALA . 13.0 m -84.03 75.88 10.11 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.204 -0.907 . . . . 99.99 110.419 -173.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.36 -62.89 0.69 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 109.923 -1.271 . . . . 99.99 109.923 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -96.93 141.99 29.43 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 109.562 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -89.65 -36.44 15.25 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.396 0.678 . . . . 99.99 111.77 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 71.1 p -78.99 -14.32 59.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.053 0.541 . . . . 99.99 111.425 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.78 -53.89 22.44 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.259 1.424 . . . . 99.99 113.006 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.58 18.85 0.07 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.538 0.735 . . . . 99.99 110.562 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.76 166.25 12.67 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.7 ttm-85 -104.12 -62.27 1.34 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 106.974 -1.491 . . . . 99.99 106.974 163.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -131.12 -21.57 2.63 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.026 -1.443 . . . . 99.99 108.95 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 33.8 t -154.02 178.91 9.42 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.891 0.876 . . . . 99.99 110.057 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.99 -48.52 70.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.7 1.2 . . . . 99.99 110.938 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 54.1 p -72.12 -33.11 67.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.561 0.744 . . . . 99.99 110.841 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 159.61 -55.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.157 2.183 . . . . 99.99 107.435 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.46 ' NZ ' ' HG3' ' E' ' 79' ' ' GLU . 8.6 ptpp? -133.63 159.57 71.97 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 113.555 -1.657 . . . . 99.99 107.71 176.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -31.2 -45.72 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.085 1 C-N-CA 125.338 4.025 . . . . 99.99 117.031 -171.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 146.04 24.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.9 0.48 . . . . 99.99 110.955 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.542 ' HZ2' ' HD1' ' D' ' 101' ' ' TYR . 87.5 tttt -84.96 73.39 10.68 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.227 -0.657 . . . . 99.99 109.227 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.446 ' HA ' ' HG3' ' E' ' 312' ' ' PRO . 10.5 t30 75.14 -44.52 0.54 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.492 1.517 . . . . 99.99 112.757 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.427 ' HA ' ' HE1' ' B' ' 101' ' ' TYR . 7.1 tp -84.09 102.42 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 124.005 0.922 . . . . 99.99 109.847 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.57 92.4 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.93 161.17 32.48 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.391 1.077 . . . . 99.99 108.235 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.54 22.4 2.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.2 0.6 . . . . 99.99 112.258 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' E' ' 120' ' ' TYR . 11.4 tt -128.3 118.94 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.834 0.854 . . . . 99.99 109.041 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.28 39.25 0.67 Allowed Glycine 0 N--CA 1.475 1.258 0 CA-C-N 116.153 -0.476 . . . . 99.99 112.163 -173.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.34 68.0 8.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.554 1.142 . . . . 99.99 110.448 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.41 99.61 0.15 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.6 ptm -80.25 142.69 34.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.143 0.577 . . . . 99.99 110.523 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.21 -159.9 30.06 Favored Glycine 0 C--N 1.34 0.781 0 N-CA-C 110.622 -0.991 . . . . 99.99 110.622 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.4 88.43 2.9 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.603 -0.888 . . . . 99.99 108.603 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 78' ' ' SER . . . . . 0.485 ' HB3' ' HD2' ' E' ' 65' ' ' LYS . 27.0 m -80.91 -17.74 49.54 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.651 0.78 . . . . 99.99 112.344 -176.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.46 ' HG3' ' NZ ' ' E' ' 62' ' ' LYS . 34.6 mm-40 -85.51 -61.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.536 0.734 . . . . 99.99 111.364 -169.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt 60.81 109.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.801 1.313 . . . . 99.99 110.247 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 7.6 p -57.07 108.51 0.52 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.675 0.79 . . . . 99.99 111.46 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.79 167.95 15.6 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.206 1.002 . . . . 99.99 110.717 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 -145.92 0.38 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.916 0.886 . . . . 99.99 109.552 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' E' ' 84' ' ' ARG . 2.5 mmp_? -65.4 -29.23 69.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.066 0.546 . . . . 99.99 111.137 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 68.93 169.75 0.29 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.923 1.289 . . . . 99.99 112.051 173.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 83.3 t80 66.74 116.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.59 1.156 . . . . 99.99 111.756 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' D' ' 8' ' ' GLU . . . -141.11 161.94 36.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.36 0.664 . . . . 99.99 110.346 175.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.88 160.4 29.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.041 -0.981 . . . . 99.99 110.168 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.35 -174.27 49.73 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.938 -0.865 . . . . 99.99 110.938 168.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.72 -72.19 0.64 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 117.54 0.67 . . . . 99.99 110.137 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.34 -169.13 39.37 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 123.277 0.36 . . . . 99.99 112.618 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.75 -76.83 0.81 Allowed Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.505 -0.638 . . . . 99.99 111.505 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -138.96 -32.52 0.67 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -163.2 -103.83 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.937 0.495 . . . . 99.99 111.612 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -151.0 134.07 15.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.62 1.168 . . . . 99.99 108.938 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.9 88.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.582 0 O-C-N 124.539 1.149 . . . . 99.99 115.19 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.538 HD11 ' HG2' ' D' ' 94' ' ' MET . 8.0 tt -71.0 -17.08 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.15 0.98 . . . . 99.99 109.449 167.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 82.12 106.28 0.06 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.769 2.028 . . . . 99.99 109.064 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 68.34 -74.81 0.07 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.393 1.477 . . . . 99.99 112.916 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 tp 62.05 65.42 1.65 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 125.091 1.357 . . . . 99.99 109.622 -170.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -87.58 -17.98 2.64 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.061 2.507 . . . . 99.99 112.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' E' ' 105' ' ' GLN . 20.4 mt 66.22 138.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.514 1.926 . . . . 99.99 112.855 -174.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 1.8 t -78.66 80.53 5.02 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 162.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.2 93.22 1.97 Allowed Glycine 0 C--N 1.347 1.174 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -167.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' E' ' 102' ' ' LEU . 59.5 tt0 -67.63 -24.13 65.43 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.013 0.746 . . . . 99.99 113.013 -169.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . 0.446 ' HA ' ' H ' ' D' ' 48' ' ' SER . 97.4 m-85 -84.63 -61.28 1.83 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.469 -0.937 . . . . 99.99 108.469 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.02 162.02 40.37 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.961 1.304 . . . . 99.99 108.699 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' D' ' 151' ' ' GLU . 65.6 t60 -66.2 -29.28 69.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.246 0.618 . . . . 99.99 110.932 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -129.64 -166.99 1.73 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.032 0.933 . . . . 99.99 110.406 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 121.92 45.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.166 0.986 . . . . 99.99 108.766 173.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.93 -32.17 23.24 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.349 0.66 . . . . 99.99 111.815 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -112.65 13.27 19.9 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.947 0.721 . . . . 99.99 112.947 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.96 -174.85 2.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.726 0.41 . . . . 99.99 111.249 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.92 -70.53 0.12 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.536 1.134 . . . . 99.99 110.471 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 62.98 -78.17 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.877 1.271 . . . . 99.99 111.918 172.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -140.71 -84.43 0.09 OUTLIER Glycine 0 N--CA 1.468 0.772 0 N-CA-C 108.117 -1.993 . . . . 99.99 108.117 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -148.55 124.65 5.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 125.075 1.35 . . . . 99.99 107.521 163.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.93 84.66 1.89 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.944 1.763 . . . . 99.99 110.763 166.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.69 -179.37 7.3 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 115.259 -0.882 . . . . 99.99 109.822 172.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' E' ' 71' ' ' ILE . 24.0 t80 68.77 -178.13 0.22 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.245 1.018 . . . . 99.99 108.499 -173.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.651 HG23 HG21 ' D' ' 131' ' ' VAL . 35.7 t 70.2 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 123.946 0.898 . . . . 99.99 111.271 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 87.6 m -153.36 -46.17 0.09 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . 0.414 ' HA ' ' HB1' ' D' ' 129' ' ' ALA . 1.0 OUTLIER 62.44 -93.85 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.105 -1.407 . . . . 99.99 110.917 177.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p 44.7 -153.98 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.236 1.414 . . . . 99.99 112.676 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 67.73 -77.66 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.885 1.274 . . . . 99.99 113.318 165.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.24 93.29 0.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.214 1.005 . . . . 99.99 111.129 -174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.5 p -169.71 154.22 5.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.315 0.646 . . . . 99.99 111.04 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.33 125.53 6.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.302 0.641 . . . . 99.95 111.045 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.9 t -97.59 138.53 34.87 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.839 0.856 . . . . 99.99 111.042 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.421 ' HB2' ' HG3' ' A' ' 124' ' ' PRO . . . -172.7 93.58 0.12 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.705 0.802 . . . . 99.99 110.734 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' D' ' 35' ' ' ASP . 5.7 m-90 -86.04 159.62 19.54 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.166 0.587 . . . . 99.99 110.885 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -114.35 173.09 6.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.363 0.665 . . . . 99.99 111.815 -175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t -86.63 170.87 11.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.056 -0.975 . . . . 99.99 110.611 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.57 177.56 30.78 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.452 -0.794 . . . . 99.66 111.669 168.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.451 HG21 ' HB1' ' A' ' 129' ' ' ALA . 5.4 p -132.6 132.3 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.692 0.797 . . . . 99.99 110.055 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' C' ' 11' ' ' PHE . 87.6 tttt -100.09 93.11 5.56 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.18 0.592 . . . . 99.99 109.529 175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 53.6 m -150.23 128.92 12.35 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.954 -1.128 . . . . 99.99 107.954 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -165.36 137.15 4.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.13 -46.18 62.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.403 0.681 . . . . 99.99 111.035 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 124.79 -107.39 1.0 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.72 -0.552 . . . . 99.99 111.72 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.06 -10.99 58.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.125 0.57 . . . . 99.99 112.05 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 tp 61.61 31.87 18.67 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.619 1.199 . . . . 99.99 109.312 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.77 -91.03 1.66 Allowed Glycine 0 C--N 1.344 1.004 0 CA-C-N 114.544 -1.207 . . . . 99.99 111.514 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.05 115.53 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.758 0.823 . . . . 99.99 112.949 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' C' ' 142' ' ' GLN . 19.6 t70 -87.43 145.71 26.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.009 0.524 . . . . 99.99 109.694 172.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' C' ' 140' ' ' TYR . 35.2 mm -117.41 93.76 2.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.625 -0.88 . . . . 99.99 108.625 -175.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.685 ' HA ' HG23 ' C' ' 92' ' ' THR . 58.1 t-80 -74.36 86.09 1.98 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 121.374 0.607 . . . . 99.99 109.607 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -148.02 100.68 3.21 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 126.038 1.735 . . . . 99.99 107.116 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.34 146.74 36.54 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.347 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.21 161.07 31.71 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.795 0.838 . . . . 99.99 111.055 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -128.91 -53.45 0.03 OUTLIER Pre-proline 0 CA--C 1.566 1.594 0 CA-C-N 115.244 -0.889 . . . . 99.99 112.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -88.07 24.39 0.71 Allowed 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 122.084 1.856 . . . . 99.99 114.683 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 27.0 m -92.55 95.28 9.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 109.211 -0.662 . . . . 99.99 109.211 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.26 -68.9 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 109.462 -0.569 . . . . 99.99 109.462 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -116.91 -49.26 2.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.649 0.78 . . . . 99.99 109.716 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -144.04 -77.75 0.22 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -146.25 142.85 28.77 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.395 -0.594 . . . . 99.99 109.395 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.37 55.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.593 0.757 . . . . 99.99 111.682 -176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -76.75 -7.62 55.72 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.327 0.651 . . . . 99.99 112.48 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.87 68.29 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.035 0.534 . . . . 99.99 111.146 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.15 159.47 27.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.828 0.851 . . . . 99.99 110.007 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.5 40.19 6.48 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.672 0.608 . . . . 99.99 112.779 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.68 152.54 31.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.303 0.641 . . . . 99.99 109.893 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -121.43 -50.56 2.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.492 0.717 . . . . 99.99 110.657 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 78.9 p 54.78 -77.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.104 1.762 . . . . 99.99 113.042 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 136.42 -0.51 3.16 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.649 -0.528 . . . . 99.99 112.796 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -66.84 109.32 2.86 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.127 0.571 . . . . 99.99 111.052 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.09 -30.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.959 0.903 . . . . 99.99 110.479 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 41.9 t -60.17 -66.71 0.48 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.118 0.967 . . . . 99.99 112.307 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 30.3 m 53.48 -90.34 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.765 1.226 . . . . 99.99 111.701 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.42 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.434 1.494 . . . . 99.99 111.725 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -142.73 -70.49 0.33 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.259 -1.385 . . . . 99.99 107.259 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 87.2 mt -121.47 104.42 9.65 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.28 -1.378 . . . . 99.99 107.28 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.88 140.45 58.87 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.714 0.806 . . . . 99.99 110.567 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.0 t70 65.8 34.42 7.42 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.444 1.098 . . . . 99.99 110.808 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.13 81.71 1.28 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.707 -0.62 . . . . 99.99 109.79 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.0 m -69.6 124.76 91.23 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.627 -1.17 . . . . 99.99 109.981 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.58 73.31 2.3 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.13 2.554 . . . . 99.99 111.608 174.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -88.78 -12.78 41.12 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.469 176.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -92.74 -168.75 2.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.054 0.942 . . . . 99.99 110.533 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.81 159.46 16.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.51 0.724 . . . . 99.99 110.545 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.43 150.52 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 124.401 1.063 . . . . 99.99 110.559 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.82 -155.31 0.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.06 1.344 . . . . 99.99 110.382 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 54.3 m80 78.91 -58.16 0.42 Allowed 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.665 1.586 . . . . 99.99 110.688 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.6 -43.88 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.799 0.84 . . . . 99.99 109.61 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.3 t -137.88 147.21 44.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.395 1.078 . . . . 99.99 108.564 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 21.8 t -159.85 179.71 8.57 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.573 0.624 . . . . 99.99 111.472 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -132.28 -176.34 4.04 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.585 1.154 . . . . 99.99 110.593 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? 69.74 -80.01 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.432 1.493 . . . . 99.99 110.727 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 61.0 m -155.12 -45.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 70.7 t80 74.08 -58.86 0.57 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 126.375 1.87 . . . . 99.99 110.913 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -139.62 -162.04 8.96 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.149 -0.78 . . . . 99.99 111.149 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.54 -150.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.072 2.515 . . . . 99.99 112.539 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 70.6 m 72.31 176.48 0.27 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.761 1.224 . . . . 99.99 111.317 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 64.4 14.72 9.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.324 1.05 . . . . 99.99 111.789 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.5 m -152.11 160.32 43.45 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.239 1.415 . . . . 99.99 107.773 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 197' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' E' ' 200' ' ' CYS . 25.1 m -78.9 43.9 0.53 Allowed 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.615 0.766 . . . . 99.99 111.241 175.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 59.15 -86.35 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.316 1.846 . . . . 99.99 111.671 -175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -93.2 -24.1 18.33 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.288 0.635 . . . . 99.99 110.463 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.519 ' HA ' ' HB2' ' E' ' 197' ' ' SER 0.267 83.9 m 102.94 -67.4 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.813 0 C-N-CA 128.267 2.627 . . . . 99.99 111.914 -176.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.74 105.22 1.27 Allowed 'Trans proline' 0 C--N 1.399 3.214 0 CA-C-N 122.789 2.032 . . . . 99.99 112.222 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -80.6 79.21 1.78 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 109.415 -1.474 . . . . 99.99 109.415 167.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.43 -51.11 70.08 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.752 0.821 . . . . 99.99 111.348 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -167.66 -81.33 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.07 -0.968 . . . . 99.99 109.43 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 48.94 40.09 16.01 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 125.234 1.414 . . . . 99.99 110.981 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.64 -67.44 0.25 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.502 1.521 . . . . 99.99 111.466 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -130.54 128.36 40.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.074 0.949 . . . . 99.99 109.939 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -93.29 -160.45 35.35 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 116.082 -0.508 . . . . 99.99 112.319 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.39 162.58 53.48 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.284 -0.326 . . . . 99.99 112.284 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -91.27 40.16 1.02 Allowed 'General case' 0 CA--C 1.563 1.447 0 CA-C-O 121.773 0.797 . . . . 99.99 109.737 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 143.56 -179.04 21.3 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.883 -0.599 . . . . 99.99 111.702 -176.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.4 t -156.33 152.54 27.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.174 0.589 . . . . 99.99 110.79 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 61.6 mt -115.71 150.94 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.91 1.284 . . . . 99.99 109.984 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 17.6 m -76.76 70.95 3.29 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.449 1.119 . . . . 99.99 109.674 172.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.63 -11.13 46.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.095 1.358 . . . . 99.99 111.633 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.89 -49.05 60.15 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.999 1.319 . . . . 99.99 113.228 -168.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.468 HD21 ' H ' ' E' ' 220' ' ' ALA . 3.7 tt -163.42 -73.77 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.339 -1.356 . . . . 99.99 107.339 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 48.1 tp 46.11 79.12 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.38 1.472 . . . . 99.99 112.77 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.13 29.5 19.06 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.156 0.982 . . . . 99.99 111.175 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . 0.468 ' H ' HD21 ' E' ' 217' ' ' LEU . . . 61.77 35.72 16.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.014 1.325 . . . . 99.99 110.652 -176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' D' ' 144' ' ' GLN . 97.5 mtt180 64.06 85.4 0.14 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.44 1.496 . . . . 99.99 110.635 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -121.45 165.11 16.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.691 0.796 . . . . 99.99 110.953 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.38 137.85 58.11 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.259 0.974 . . . . 99.99 110.472 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.55 173.04 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.013 0.525 . . . . 99.99 109.975 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -56.67 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.534 0.734 . . . . 99.99 111.635 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 72.6 mt 54.82 59.26 4.19 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.557 1.543 . . . . 99.99 110.949 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -73.49 -63.94 2.63 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.53 -0.759 . . . . 99.99 112.795 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -77.94 75.43 1.88 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 112.741 -0.144 . . . . 99.99 112.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 171.52 -167.52 40.61 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 122.686 0.184 . . . . 99.99 113.122 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -129.39 18.71 5.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.787 1.235 . . . . 99.99 110.618 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 42.1 tttm 70.47 -80.12 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.344 1.857 . . . . 99.99 112.182 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 5.4 t -157.48 68.05 0.52 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.098 0.559 . . . . 99.99 110.555 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 63.8 t80 57.5 -84.82 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.702 1.201 . . . . 99.99 112.795 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -140.21 32.6 1.92 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.679 0.792 . . . . 99.99 110.758 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 60.86 -79.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.338 1.455 . . . . 99.99 111.812 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 50.4 p -79.19 -61.98 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.202 0.601 . . . . 99.99 110.12 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.53 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.72 1.208 . . . . 99.99 111.129 -174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 16.5 m 69.8 -11.57 0.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.582 1.327 . . . . 99.99 114.582 166.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -74.33 107.23 6.36 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.735 -0.603 . . . . 99.99 110.532 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 142.9 -175.87 22.82 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-O 119.469 -0.628 . . . . 99.99 111.585 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.66 -84.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.254 1.422 . . . . 99.99 112.235 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -67.39 -34.44 77.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.609 0.763 . . . . 99.99 110.923 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.98 -19.96 19.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.172 0.989 . . . . 99.99 109.762 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -65.48 -12.57 56.47 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 118.779 -1.011 . . . . 99.99 115.14 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.568 ' HG2' ' H ' ' E' ' 246' ' ' THR . 28.2 ttmt 67.65 -179.37 0.22 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.199 0.999 . . . . 99.99 110.141 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.729 ' HA ' ' HB3' ' E' ' 250' ' ' GLN . 86.7 m 82.5 -54.89 0.21 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.099 1.36 . . . . 99.99 113.544 166.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.7 -55.66 9.02 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.551 1.141 . . . . 99.99 113.876 -164.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.513 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -83.06 -68.62 0.69 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.992 0.425 . . . . 99.99 111.704 -169.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -86.74 -58.0 2.77 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.66 0.784 . . . . 99.99 111.023 -170.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.729 ' HB3' ' HA ' ' E' ' 246' ' ' THR . 23.2 tm0? -64.46 -15.14 60.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.505 1.122 . . . . 99.99 112.416 -169.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -50.22 -20.58 1.07 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.996 1.318 . . . . 99.99 113.646 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.07 -13.8 13.53 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.592 1.157 . . . . 99.99 113.644 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -43.9 -42.94 6.11 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.128 1.771 . . . . 99.99 114.524 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -124.62 143.22 50.84 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.88 0.472 . . . . 99.99 110.875 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.02 38.21 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.272 -0.876 . . . . 99.99 111.069 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -79.96 63.9 4.63 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.394 1.092 . . . . 99.99 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -99.96 -52.41 3.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.391 -0.822 . . . . 99.99 109.947 -173.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . 0.569 ' HG ' ' H ' ' E' ' 259' ' ' VAL . 14.9 tp 58.7 -156.8 0.33 Allowed 'General case' 0 CA--C 1.563 1.468 0 O-C-N 124.41 1.069 . . . . 99.99 109.616 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . 0.569 ' H ' ' HG ' ' E' ' 258' ' ' LEU . 18.1 t 59.58 23.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 CA-C-O 122.761 1.267 . . . . 99.99 110.618 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 14.7 m -82.85 161.96 21.76 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.909 -1.041 . . . . 99.99 110.248 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 71.82 -84.94 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.816 1.246 . . . . 99.99 111.73 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.83 -68.28 0.38 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.345 0.658 . . . . 99.99 112.445 -168.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -77.8 -1.62 32.36 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.727 0.811 . . . . 99.99 111.572 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 45.5 t -94.49 -12.83 26.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.092 0.957 . . . . 99.99 111.034 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 79.8 mt 70.43 143.16 0.05 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.287 1.435 . . . . 99.99 111.28 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.94 82.84 0.16 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.241 1.016 . . . . 99.99 109.378 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.6 m -91.67 176.48 6.52 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.018 -0.992 . . . . 99.99 112.866 -163.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.306 2.5 m 73.45 -28.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 C-N-CA 128.548 2.739 . . . . 99.99 114.319 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 27.6 m -147.6 -81.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.11 -0.7 . . . . 99.99 109.11 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -165.54 -68.98 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -86.55 3.09 45.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' E' ' 275' ' ' LYS . 7.8 m120 -58.33 -57.97 10.55 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.105 0.962 . . . . 99.99 111.616 -172.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 52.69 -82.54 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 125.219 1.408 . . . . 99.99 112.503 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.69 -35.62 80.58 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.502 1.121 . . . . 99.99 110.983 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' E' ' 272' ' ' ASN . 99.3 mttt -68.84 127.3 93.18 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 114.452 -1.249 . . . . 99.99 111.682 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.679 ' HD2' ' HB2' ' C' ' 87' ' ' ALA . 17.3 Cg_exo -67.61 -74.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.084 2.523 . . . . 99.99 111.822 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 178.37 171.33 0.75 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.947 1.299 . . . . 99.99 109.045 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.43 ' HG ' ' HB ' ' C' ' 86' ' ' ILE . 4.8 tt -126.97 119.29 26.32 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 106.748 -1.575 . . . . 99.99 106.748 168.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -161.0 89.29 0.11 Allowed Glycine 0 C--N 1.348 1.232 0 CA-C-O 120.066 -0.297 . . . . 99.99 112.874 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -170.22 111.43 0.42 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.629 -1.619 . . . . 99.99 106.629 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -160.73 71.47 0.43 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.576 0.703 . . . . 99.99 109.391 170.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -77.17 125.42 29.3 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.745 -1.116 . . . . 99.99 109.202 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.45 124.79 21.62 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.616 0.767 . . . . 99.99 110.023 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -156.11 162.77 31.56 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 123.533 0.521 . . . . 99.99 111.862 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -140.21 134.17 30.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.778 0.831 . . . . 99.99 109.77 -175.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' C' ' 133' ' ' PHE . 1.3 mpt? -86.91 128.59 55.44 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.772 0.829 . . . . 99.99 109.32 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -64.96 100.18 0.35 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.125 2.55 . . . . 99.99 111.761 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 59.0 t -122.69 125.55 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.651 0.78 . . . . 99.99 109.937 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.58 ' HB2' ' HD3' ' E' ' 446' ' ' PRO . 34.7 ttm180 -88.88 146.53 24.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.539 -0.912 . . . . 99.99 108.539 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -79.72 144.82 33.31 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 72.06 79.83 0.41 Allowed Glycine 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.47 170.94 17.63 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.875 2.383 . . . . 99.99 111.925 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -87.78 65.19 8.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.884 -0.784 . . . . 99.99 108.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 125' ' ' GLN . . . -164.46 177.11 8.42 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.195 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 25.3 m 62.44 84.4 0.14 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.621 1.168 . . . . 99.99 111.311 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.567 ' HE1' ' HB1' ' C' ' 73' ' ' ALA . 27.1 m-85 62.73 101.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.23 1.412 . . . . 99.99 112.68 175.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -143.71 22.96 1.78 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 95.12 -177.12 34.96 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.65 -0.705 . . . . 99.99 112.533 -173.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.98 67.7 0.89 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.442 1.097 . . . . 99.99 111.45 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.34 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 107.871 -1.159 . . . . 99.99 107.871 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -154.43 152.21 29.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.757 0.423 . . . . 99.99 111.264 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -142.3 144.31 30.7 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.564 1.546 . . . . 99.99 108.72 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.29 129.54 25.79 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.019 2.479 . . . . 99.99 112.466 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -68.87 132.71 47.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.772 0.829 . . . . 99.99 111.384 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.05 158.89 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.162 0.985 . . . . 99.99 110.1 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 10.5 t -124.01 149.66 45.79 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 122.048 -0.407 . . . . 99.99 109.934 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.447 ' SG ' HD11 ' D' ' 13' ' ' ILE . 23.7 p -155.23 122.41 5.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.983 0.513 . . . . 99.99 110.652 -176.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 14.3 p -142.19 114.19 6.33 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 125.081 1.352 . . . . 99.99 107.486 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.75 -93.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.355 2.037 . . . . 99.99 113.903 -172.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 8.5 t30 51.07 65.11 7.1 Favored Pre-proline 0 CA--C 1.566 1.571 0 C-N-CA 124.608 1.163 . . . . 99.99 110.903 -169.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' E' ' 66' ' ' ASN . 85.7 Cg_endo -79.46 83.81 2.17 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.126 2.551 . . . . 99.99 112.164 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -97.34 114.9 26.77 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.445 ' HE ' ' HB ' ' B' ' 92' ' ' THR . 32.0 tpt180 -159.34 -21.34 0.07 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.235 0.614 . . . . 99.99 111.626 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -69.87 -9.54 55.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 117.897 0.317 . . . . 99.99 111.47 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 24.5 t70 71.05 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 125.455 1.502 . . . . 99.99 109.882 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 63.6 p -143.9 136.61 27.16 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.933 0.893 . . . . 99.99 109.134 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.43 126.3 92.25 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.01 0.524 . . . . 99.99 109.701 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.98 -57.95 0.97 Allowed 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.659 2.239 . . . . 99.99 112.5 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m 64.99 -69.02 0.1 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.555 1.542 . . . . 99.99 113.08 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.79 -54.17 25.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.21 1.004 . . . . 99.99 110.303 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 64.45 -77.68 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.908 1.283 . . . . 99.99 111.741 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -112.91 -11.59 13.4 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.411 0.684 . . . . 99.99 111.325 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.654 ' HB2' ' HD2' ' E' ' 404' ' ' LYS . 24.8 ttt -56.49 -54.02 50.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.493 0.717 . . . . 99.99 111.124 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 325' ' ' THR . . . . . 0.581 HG21 ' H ' ' E' ' 326' ' ' ASP 0.254 7.2 t 37.55 -86.53 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 126.57 1.948 . . . . 99.99 114.215 -177.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.581 ' H ' HG21 ' E' ' 325' ' ' THR . 5.3 p-10 -148.1 10.79 0.91 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.646 1.179 . . . . 99.99 109.612 175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.57 93.97 0.54 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.904 1.282 . . . . 99.99 109.468 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.523 ' H ' ' HA ' ' E' ' 332' ' ' LEU . . . -87.46 -81.9 0.23 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.859 0.688 . . . . 99.99 112.859 -168.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.586 HG12 ' HB2' ' E' ' 335' ' ' ASN . 1.1 pp -89.9 -75.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 118.112 0.415 . . . . 99.99 112.054 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.475 ' H ' HD13 ' E' ' 329' ' ' ILE . 37.9 mt-10 -99.72 -64.31 1.05 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.017 0.826 . . . . 99.99 110.108 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.95 -64.16 1.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 115.184 -0.916 . . . . 99.99 111.318 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.523 ' HA ' ' H ' ' E' ' 328' ' ' ALA . 2.2 pt? -168.53 -159.74 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.844 0.858 . . . . 99.99 109.296 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 53.1 p 74.28 -12.12 0.92 Allowed 'General case' 0 N--CA 1.507 2.382 0 C-N-CA 125.911 1.684 . . . . 99.99 114.902 165.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 61.95 23.4 13.78 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.007 0.923 . . . . 99.99 112.286 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . 0.586 ' HB2' HG12 ' E' ' 329' ' ' ILE . 11.9 t30 66.38 18.88 10.94 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.427 1.091 . . . . 99.99 111.193 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 59.95 88.88 0.07 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.19 0.996 . . . . 99.99 110.661 -174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -69.48 98.14 1.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.094 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 90.0 123.59 2.54 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -69.05 -42.01 76.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 117.697 0.748 . . . . 99.99 109.38 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 56.84 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.491 1.516 . . . . 99.99 111.88 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 88.1 mt -122.24 -7.84 8.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.472 0.709 . . . . 99.99 112.332 -174.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.04 117.67 15.05 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.561 0.696 . . . . 99.99 109.334 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 34.5 m -89.1 168.14 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.783 0 C-N-CA 124.008 0.923 . . . . 99.99 109.154 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.31 114.43 3.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -154.04 8.48 0.41 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.428 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -88.54 61.14 5.95 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.723 -0.843 . . . . 99.99 108.723 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.7 m -89.47 37.74 0.88 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.973 -1.012 . . . . 99.99 110.185 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 139.32 18.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 124.463 1.105 . . . . 99.99 109.879 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.45 102.64 2.71 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 172.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -72.26 86.09 1.09 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.043 -0.725 . . . . 99.99 109.043 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -55.38 9.13 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.502 -1.295 . . . . 99.99 107.502 176.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t70 59.94 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 O-C-N 125.308 1.63 . . . . 99.99 111.168 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -56.17 -43.55 78.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.7 0.8 . . . . 99.99 110.888 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 60.58 -173.74 0.12 Allowed 'General case' 0 CA--C 1.553 1.085 0 O-C-N 124.586 1.179 . . . . 99.99 112.488 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.73 74.54 2.08 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.291 -1.003 . . . . 99.99 108.291 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.1 t30 63.64 91.25 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.676 1.19 . . . . 99.99 110.536 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.54 7.85 4.27 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.977 2.452 . . . . 99.99 112.584 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 43.8 t -85.54 135.69 33.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.398 1.079 . . . . 99.99 109.98 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -87.12 -138.18 5.42 Favored Glycine 0 C--N 1.347 1.151 0 O-C-N 123.313 0.383 . . . . 99.99 113.032 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -67.66 -45.43 75.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.652 0.781 . . . . 99.99 109.899 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 28.1 pt -106.34 -151.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 169.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -55.18 -72.54 0.54 Allowed Glycine 0 C--N 1.363 2.043 0 N-CA-C 110.768 -0.933 . . . . 99.99 110.768 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 65.25 108.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.975 1.31 . . . . 99.99 112.307 167.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 41.8 m 69.08 -64.77 0.32 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.999 1.32 . . . . 99.99 110.928 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.66 138.75 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.544 0.738 . . . . 99.99 109.715 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.09 151.35 27.06 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.938 0.895 . . . . 99.99 110.17 -173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.46 -21.2 65.55 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.631 0.604 . . . . 99.99 112.631 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.8 -24.52 55.95 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.888 0.475 . . . . 99.99 110.943 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.92 -32.48 73.77 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.311 0.577 . . . . 99.99 110.198 173.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.75 63.83 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.315 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.17 -38.87 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.307 0.575 . . . . 99.99 109.472 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.31 -18.42 64.59 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.836 -1.074 . . . . 99.99 112.709 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -57.95 -31.38 66.8 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.089 0.556 . . . . 99.99 112.354 -173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.9 59.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.054 0.542 . . . . 99.99 110.645 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.25 -45.06 94.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 99.99 109.845 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.4 -46.84 78.46 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.638 1.175 . . . . 99.99 110.078 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.19 -30.44 70.39 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.507 0.723 . . . . 99.99 111.106 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.16 64.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.39 0.676 . . . . 99.99 111.235 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -71.16 -26.71 63.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.738 0.415 . . . . 99.99 110.537 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt 64.43 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.362 1.139 0 C-N-CA 125.481 1.512 . . . . 99.99 110.426 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 -42.29 0.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.232 1.013 . . . . 99.99 109.082 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 69.93 -82.89 0.31 Allowed Glycine 0 C--N 1.352 1.459 0 CA-C-N 116.426 -0.352 . . . . 99.99 112.689 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -146.45 7.15 0.99 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.715 0.806 . . . . 99.99 111.296 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 p -61.16 113.02 2.35 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.435 0.694 . . . . 99.99 111.846 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.63 6.68 4.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.009 1.324 . . . . 99.99 112.14 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.13 102.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 N-CA-C 107.981 -1.118 . . . . 99.99 107.981 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 26.8 pt -127.64 139.43 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.713 0.805 . . . . 99.99 109.631 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 60.1 t -103.47 111.95 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.221 -1.029 . . . . 99.99 108.221 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.4 t -125.33 146.62 49.49 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.957 0.903 . . . . 99.99 109.216 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.39 83.55 6.4 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -170.73 107.17 0.29 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.329 1.052 . . . . 99.99 108.848 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.4 m80 49.33 74.7 0.18 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.754 1.222 . . . . 99.99 110.812 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -59.69 96.48 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.515 -0.55 . . . . 99.99 109.515 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -61.31 -64.69 0.86 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 124.035 0.835 . . . . 99.99 109.942 -169.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 44.8 25.0 0.12 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.195 1.398 . . . . 99.99 114.311 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 31.6 t -90.45 12.88 17.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.293 1.037 . . . . 99.99 110.748 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.55 76.08 4.09 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.328 1.051 . . . . 99.99 109.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.68 -50.47 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.993 -1.114 . . . . 99.99 107.993 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.416 HG21 ' HD3' ' E' ' 401' ' ' PRO . 23.4 m -115.31 -171.19 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-N 114.132 -1.395 . . . . 99.99 108.1 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.67 50.56 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 108.948 -0.76 . . . . 99.99 108.948 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.416 ' HD3' HG21 ' E' ' 399' ' ' VAL . 86.8 Cg_endo -85.59 149.57 10.05 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.721 2.281 . . . . 99.99 110.72 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.54 120.67 33.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.129 -0.693 . . . . 99.99 109.129 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 1.2 t 65.21 152.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 127.667 2.387 . . . . 99.99 112.813 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.654 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 82.7 tttt -75.75 86.38 2.76 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.131 -1.062 . . . . 99.99 108.131 171.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -74.67 112.18 16.38 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.645 0.778 . . . . 99.99 110.068 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.5 160.0 22.42 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.753 2.302 . . . . 99.99 112.123 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -170.01 107.1 0.26 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 110.914 -0.875 . . . . 99.99 110.914 -176.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 pp -156.16 154.62 31.12 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.222 1.009 . . . . 99.99 109.966 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 63.0 p -96.01 47.35 1.09 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.474 1.11 . . . . 99.99 109.854 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 60.09 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.842 1.257 . . . . 99.99 110.103 -168.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -134.29 -86.27 0.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.678 -1.231 . . . . 99.99 107.678 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.11 171.68 7.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.359 0.663 . . . . 99.99 110.207 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -63.21 -41.73 99.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.409 0.684 . . . . 99.99 111.297 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.7 m -68.34 -62.62 1.32 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' E' ' 416' ' ' ASP . 17.4 ptmt -174.08 -61.45 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.775 -1.102 . . . . 99.99 109.105 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . 0.464 ' H ' ' HG3' ' E' ' 415' ' ' LYS . 32.8 t70 -126.71 -26.4 3.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.322 1.049 . . . . 99.99 111.084 -173.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 67.6 -117.2 8.57 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 118.866 -0.963 . . . . 99.99 111.999 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 73.1 -63.68 0.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 125.539 1.536 . . . . 99.99 112.438 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 21.3 t 60.24 65.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.64 1.176 . . . . 99.99 108.971 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 62.3 mtt -71.73 104.79 3.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.451 -1.25 . . . . 99.99 110.414 -173.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 60.8 t 68.76 -96.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 125.35 1.46 . . . . 99.99 110.332 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.1 mmt 48.44 35.67 6.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.183 0.993 . . . . 99.99 112.441 -176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 16.0 m -74.73 85.38 2.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.897 0.879 . . . . 99.99 110.873 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -125.09 109.63 13.15 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 93.84 96.15 1.55 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 111.499 -0.64 . . . . 99.99 111.499 -173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -166.4 14.91 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.438 0.695 . . . . 99.99 112.448 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 36.4 t -158.42 35.89 0.23 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.0 -0.741 . . . . 99.99 109.0 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.71 90.11 7.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.396 -0.82 . . . . 99.99 111.793 -165.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 4.38 52.76 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.594 1.158 . . . . 99.99 111.553 174.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.52 -11.7 61.04 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.857 0.863 . . . . 99.99 111.343 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 7.8 p -75.28 -48.32 23.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.172 0.989 . . . . 99.99 110.926 167.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -55.44 -56.95 14.21 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.322 1.449 . . . . 99.99 112.436 -165.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 29.57 -80.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.833 2.053 . . . . 99.99 116.385 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -105.86 27.41 8.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.078 0.951 . . . . 99.99 112.182 -161.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.9 t -64.25 -25.95 68.29 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.584 0.353 . . . . 99.99 111.398 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -158.99 165.0 34.03 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.684 -0.566 . . . . 99.99 111.684 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 15.4 t -159.62 28.07 0.19 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.231 0.613 . . . . 99.99 109.777 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 74.99 -60.26 0.52 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.934 1.694 . . . . 99.99 111.693 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.5 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.279 1.431 . . . . 99.99 111.126 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 57.72 79.5 0.2 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.284 1.034 . . . . 99.99 110.633 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . 0.467 HD11 ' HD1' ' E' ' 444' ' ' TYR . 18.8 tt -118.26 -35.72 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.284 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 65.24 -73.22 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.492 1.517 . . . . 99.99 111.77 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -70.87 97.35 1.39 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.245 0.618 . . . . 99.99 109.383 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . 0.467 ' HD1' HD11 ' E' ' 441' ' ' ILE . 52.9 t80 -130.31 -78.82 0.54 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.346 -0.983 . . . . 99.99 108.346 176.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 31.73 -146.16 0.01 OUTLIER Glycine 0 C--N 1.37 2.42 0 N-CA-C 116.062 1.185 . . . . 99.99 116.062 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' E' ' 289' ' ' ARG . 87.9 Cg_endo -87.06 161.84 8.7 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.984 2.456 . . . . 99.99 111.915 171.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -117.45 -19.22 9.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.924 0.89 . . . . 99.99 110.217 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -154.01 152.32 30.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.523 0.729 . . . . 99.99 110.504 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -117.62 128.32 54.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.234 1.014 . . . . 99.99 109.094 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.32 135.79 44.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.371 0.668 . . . . 99.99 111.153 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.447 HG12 ' N ' ' E' ' 452' ' ' VAL . 53.2 t -122.56 172.83 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.116 1.367 . . . . 99.99 107.991 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.572 HG21 HD11 ' A' ' 89' ' ' ILE . 61.0 t -46.88 96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 124.819 1.247 . . . . 99.99 111.23 170.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -160.06 49.43 0.38 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.292 -1.923 . . . . 99.99 108.292 175.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 101' ' ' TYR . 4.9 mp -76.75 130.09 37.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 113.935 -1.132 . . . . 99.99 110.296 -165.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 9.0 m -62.58 142.95 57.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.199 1.0 . . . . 99.99 110.789 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . 0.572 ' HA ' ' HB3' ' A' ' 134' ' ' ASP . 3.2 p30 -149.71 -42.39 0.14 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.102 0.561 . . . . 99.99 110.493 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.5 92.62 4.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.468 0.707 . . . . 99.99 110.015 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.448 HG22 HD22 ' A' ' 132' ' ' ASN . 23.1 p -139.09 -53.85 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.211 0.604 . . . . 99.99 111.981 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 33.6 t70 77.35 128.4 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.517 1.527 . . . . 99.99 110.63 -175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.542 HD12 ' N ' ' E' ' 461' ' ' PHE . 1.0 OUTLIER -173.02 -171.26 0.72 Allowed 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -166.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.542 ' N ' HD12 ' E' ' 460' ' ' LEU . 96.8 m-85 85.16 -81.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.204 1.802 . . . . 99.99 110.768 166.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.38 -4.86 57.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.2 0.6 . . . . 99.99 109.763 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 18.9 m -76.76 -33.72 58.07 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.592 1.157 . . . . 99.99 110.72 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.462 ' HE1' HG23 ' A' ' 131' ' ' VAL . 26.7 ptt? -88.48 135.09 33.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.178 0.591 . . . . 99.99 109.505 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -119.89 -44.4 2.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.277 0.631 . . . . 99.99 110.405 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.31 1.63 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.369 0.668 . . . . 99.99 110.786 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -96.95 95.71 8.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.435 -0.802 . . . . 99.99 109.573 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 128' ' ' LEU . 3.9 mm? 60.54 -152.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.968 0.907 . . . . 99.99 110.934 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -158.44 -101.22 0.17 Allowed Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.148 -0.781 . . . . 99.99 111.148 175.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.43 HD23 ' HE1' ' A' ' 36' ' ' TRP . 95.6 mt 63.62 24.27 13.88 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.329 1.052 . . . . 99.99 111.114 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . 0.537 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 62.2 mttm . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.077 1.351 . . . . 99.99 109.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.559 0.219 . . . . 99.99 111.177 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -90.9 9.83 28.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.946 0.898 . . . . 99.99 112.166 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.68 ' HG2' ' HB2' ' C' ' 145' ' ' ALA . 2.1 mp0 -110.94 -37.88 5.26 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.225 0.61 . . . . 99.99 109.598 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.648 ' NE2' ' HB2' ' A' ' 3' ' ' GLU . 1.8 mp0 -92.12 29.17 1.69 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.579 0.752 . . . . 99.99 110.97 178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 68.8 2.97 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.753 0.821 . . . . 99.99 111.156 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 50.37 15.41 0.2 Allowed 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 125.953 1.701 . . . . 99.99 113.807 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m 56.21 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.141 1.377 . . . . 99.99 110.211 -162.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 59.56 -75.52 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 125.638 1.575 . . . . 99.99 112.42 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.512 ' SD ' HD13 ' A' ' 89' ' ' ILE . 21.5 ptt? -59.5 135.26 57.61 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.269 1.028 . . . . 99.99 111.411 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -155.14 126.92 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.433 0.693 . . . . 99.99 110.597 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HD1' HD12 ' A' ' 86' ' ' ILE . 46.0 t80 -102.7 124.28 47.94 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -144.7 114.68 7.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 99.99 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 34.4 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.542 ' HB3' HG23 ' B' ' 122' ' ' THR . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 17.02 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 50.99 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.569 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 18.45 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 13.15 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 6.92 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 22.19 109.158 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 43.73 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' ' CE2' ' B' ' 17' ' ' TYR . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 63.88 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 73.6 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 99.99 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD12 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 50.91 108.95 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 67.81 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 81.17 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD12 HG22 ' A' ' 83' ' ' ILE . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' HB3' HD21 ' E' ' 454' ' ' LEU . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.23 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 75.11 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.532 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 32.98 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 27.21 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 28.74 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.506 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 35.81 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG12 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 19.33 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 29.68 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 25.47 106.928 172.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 80.58 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 99.99 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 40.21 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 30.66 110.56 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 59.79 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 30.86 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 20.96 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.631 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 21.28 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 51' ' ' LEU . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 80.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -92.42 122.02 34.47 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.48 HD12 ' HD1' ' A' ' 11' ' ' PHE . 9.3 tp -129.89 159.34 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.174 0.59 . . . . 99.99 110.736 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.91 160.14 27.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.555 0.742 . . . . 99.99 111.578 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.78 -35.79 4.61 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 116.01 1.164 . . . . 99.99 116.01 158.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.512 HD13 ' SD ' ' A' ' 9' ' ' MET . 8.7 mm -126.1 162.72 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-N 118.645 1.222 . . . . 99.99 109.65 -175.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -162.89 -153.84 0.27 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.181 0.993 . . . . 99.99 109.298 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.28 -158.62 51.96 Favored Glycine 0 C--N 1.356 1.682 0 C-N-CA 123.551 0.596 . . . . 99.99 114.109 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -69.5 -28.26 65.9 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.853 0.861 . . . . 99.99 112.596 -171.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.543 ' HG2' HD11 ' A' ' 141' ' ' LEU . 43.8 mt-30 -61.21 -59.13 5.79 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.912 0.863 . . . . 99.99 109.824 176.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.8 -12.83 57.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.768 -1.56 . . . . 99.99 112.041 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.65 -29.86 64.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.485 0.659 . . . . 99.99 110.989 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -84.87 -20.3 31.02 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 118.042 -0.98 . . . . 99.99 112.753 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 10.0 t -50.74 -42.05 57.04 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.414 0.686 . . . . 99.99 112.661 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.84 -28.7 69.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.188 0.595 . . . . 99.99 111.774 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 133' ' ' PHE . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 99.99 111.825 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 99.99 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 79.06 112.563 -176.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 59.39 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 99.99 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 83.34 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.502 HD22 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 42.55 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 17.98 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 13.2 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 36.0 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 15.85 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 19.0 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.425 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 5.43 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 18.83 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.431 HG22 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 22.63 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 6.65 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 88.83 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 51.92 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 39.96 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 11.33 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 32.89 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 19.39 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 30.18 114.634 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.507 HD13 HG22 ' E' ' 133' ' ' THR . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 90.79 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.523 ' HA ' HD11 ' E' ' 468' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 93.81 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.548 ' H ' HD23 ' E' ' 468' ' ' LEU . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 77.99 111.632 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.549 ' HG3' ' HB2' ' E' ' 136' ' ' LYS . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 85.02 112.908 -169.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.487 HG12 ' HB ' ' E' ' 463' ' ' THR . 20.1 t -131.83 107.09 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -109.52 99.05 8.32 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.601 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 98.2 m-85 -73.79 -25.41 60.12 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.542 0.337 . . . . 99.99 111.223 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.51 -51.83 65.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.561 1.144 . . . . 99.99 112.349 -171.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.07 87.02 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.583 0.753 . . . . 99.99 111.946 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.49 -30.69 71.49 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.066 0.946 . . . . 99.99 111.085 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -89.13 -39.29 13.7 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 111.973 0.36 . . . . 99.99 111.973 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.53 ' SD ' HD21 ' A' ' 141' ' ' LEU . 11.8 mmt -61.37 -31.69 71.58 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.236 0.614 . . . . 99.99 112.548 -171.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -58.35 -27.64 64.37 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 124.011 0.82 . . . . 99.99 111.897 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -92.65 -52.94 4.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.272 1.029 . . . . 99.99 110.583 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.543 HD11 ' HG2' ' A' ' 93' ' ' GLN . 45.2 tp -43.44 -48.17 7.14 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.123 1.369 . . . . 99.99 114.281 -160.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -148.1 32.0 0.84 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.464 -0.939 . . . . 99.99 108.464 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 77.48 -60.16 0.45 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.835 1.654 . . . . 99.99 110.173 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.98 -86.07 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.052 1.341 . . . . 99.99 109.36 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.99 86.34 0.09 Allowed 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.483 1.113 . . . . 99.99 110.214 -175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.35 163.97 30.23 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 115.816 -0.629 . . . . 99.99 112.445 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.14 139.56 58.78 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.735 0.814 . . . . 99.99 112.676 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.28 82.27 0.05 OUTLIER Glycine 0 C--N 1.335 0.488 0 N-CA-C 108.269 -1.932 . . . . 99.99 108.269 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 68.8 p 59.16 26.22 14.92 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.687 1.595 . . . . 99.99 112.507 -170.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -78.18 -54.57 6.09 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.415 -0.957 . . . . 99.99 108.415 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 59.93 112.5 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.561 1.544 . . . . 99.99 112.56 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.95 130.33 21.06 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.998 0.919 . . . . 99.99 111.078 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -161.41 132.68 5.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.51 1.124 . . . . 99.99 108.671 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.31 128.77 33.93 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 C-N-CA 124.03 0.932 . . . . 99.99 108.84 -176.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.257 -0.275 . . . . 99.99 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' E' ' 32' ' ' ARG . 10.2 t -80.73 77.27 7.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.197 0.599 . . . . 99.99 109.765 -176.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.502 ' HG3' ' HB3' ' E' ' 31' ' ' ASN . 51.5 mt-10 67.14 144.56 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.409 1.484 . . . . 99.99 111.459 -168.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.439 ' HB3' HE22 ' B' ' 143' ' ' GLN . 72.2 mt-30 60.16 -166.11 0.2 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.96 0.904 . . . . 99.99 111.993 171.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p30 41.33 88.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 126.118 1.767 . . . . 99.99 114.594 174.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 80.28 -43.39 0.24 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.896 1.279 . . . . 99.99 112.765 169.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -88.92 37.14 0.83 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.135 0.974 . . . . 99.99 110.65 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' B' ' 4' ' ' GLN . 78.4 mt-10 -86.76 66.87 9.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.395 1.078 . . . . 99.99 108.963 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.624 ' SD ' HG13 ' B' ' 89' ' ' ILE . 7.2 tpt 66.42 168.09 0.22 Allowed 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 114.183 -1.371 . . . . 99.99 112.284 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.5 t -147.63 144.79 28.65 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.302 1.041 . . . . 99.99 108.449 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.547 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 -143.55 115.92 8.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 99.99 109.496 -174.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 61.13 107.17 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 99.99 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.478 HH22 ' HB ' ' E' ' 129' ' ' THR . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 99.99 110.333 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.535 HG21 ' CD1' ' B' ' 109' ' ' TYR . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 22.84 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 25.35 111.687 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.413 HG23 HD13 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 18.25 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 41.37 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' B' ' 113' ' ' CYS . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 15.07 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 29.37 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 11.41 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 27.88 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 51.27 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.491 ' CB ' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.444 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 99.99 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 99.89 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.44 HD23 ' H ' ' E' ' 7' ' ' ALA . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 99.99 110.602 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.708 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 99.99 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 89.58 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 50.34 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 99.99 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 44.59 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 98.19 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.43 HD12 HG22 ' B' ' 83' ' ' ILE . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 93.17 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 98.7 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.479 HG22 HD21 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 85.08 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 32.75 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 89.85 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.434 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 99.99 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 30.69 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.708 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 50.25 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 27.1 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 27.69 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 28.91 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 82.69 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 84.99 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 91.81 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 39.53 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 37.29 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 21.12 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 29.86 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 13.61 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.492 HG21 HD12 ' B' ' 21' ' ' ILE . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 13.23 109.839 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 36.68 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 12.8 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 51' ' ' LEU . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 51.05 107.484 172.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.691 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 99.99 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 99.23 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 99.99 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.624 HG13 ' SD ' ' B' ' 9' ' ' MET . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' HE1' ' B' ' 94' ' ' MET . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.562 ' SD ' ' O ' ' E' ' 20' ' ' LYS . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' B' ' 137' ' ' PHE . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.601 ' SG ' ' HE2' ' B' ' 9' ' ' MET . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.523 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 99.37 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 67.76 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 81.59 111.735 -174.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.547 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 55.65 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 48.03 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 99.99 112.044 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 59.06 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.457 HD23 HG22 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 27.15 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 18.14 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . 0.556 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 25.24 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 18.19 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 76.84 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' B' ' 21' ' ' ILE . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 28.75 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 30.1 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' THR . . . . . 0.413 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 17.12 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.81 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 50.71 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.401 HG21 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 23.64 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 49.99 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.427 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 17' ' ' TYR . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 33.79 111.287 177.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 28.26 109.489 172.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 39.05 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.533 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.413 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 99.99 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 99.99 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 99.99 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.527 ' HB3' HG23 ' E' ' 306' ' ' VAL . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 64.44 111.898 -176.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 75.43 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.468 HG11 ' H ' ' E' ' 8' ' ' LEU . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.99 109.574 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -111.62 77.3 1.03 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -74.96 -4.39 37.91 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.586 -0.733 . . . . 99.99 110.942 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.456 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 32.9 t70 -46.86 -51.6 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.705 1.202 . . . . 99.99 110.912 173.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.37 -30.6 60.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.578 1.151 . . . . 99.99 113.121 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 65.9 tp -60.78 -47.57 85.71 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.112 0.965 . . . . 99.99 111.32 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 68.3 m-85 -94.12 -14.93 25.18 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.188 0.595 . . . . 99.99 111.853 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -31.26 68.47 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.461 0.705 . . . . 99.99 110.777 -172.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.13 -10.48 59.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.009 0.523 . . . . 99.99 111.797 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -79.28 -25.03 42.54 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.542 0.737 . . . . 99.99 110.426 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.2 mt -104.94 4.65 32.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.701 0.8 . . . . 99.99 112.605 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . 0.571 HE22 HD11 ' E' ' 68' ' ' ILE . 20.4 mm-40 -81.56 78.57 8.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.061 0.544 . . . . 99.99 110.472 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . 0.439 HE22 ' HB3' ' B' ' 4' ' ' GLN . 26.3 tt0 -126.68 -94.46 0.46 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 122.625 0.37 . . . . 99.99 110.637 -172.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.06 88.88 3.12 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.221 -0.659 . . . . 99.99 109.221 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.37 45.1 1.22 Allowed 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.421 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 56.59 39.76 86.08 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 115.429 -0.805 . . . . 99.99 113.24 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 44.34 17.19 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 126.37 1.868 . . . . 99.99 114.8 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . 0.737 ' HA3' ' HB3' ' E' ' 44' ' ' ALA . . . 63.26 53.14 41.79 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.08 -0.408 . . . . 99.99 112.08 -169.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 24.7 m -141.34 91.63 2.4 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.308 -1.367 . . . . 99.99 107.308 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -80.69 -66.88 0.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 50.16 -82.51 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.034 1.733 . . . . 99.99 113.729 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -87.88 1.97 52.66 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.334 0.653 . . . . 99.99 111.675 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.47 90.8 3.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -111.14 151.66 27.9 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.861 0.864 . . . . 99.99 109.434 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 99.99 108.74 179.541 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.714 ' H1 ' ' HB2' ' C' ' 153' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 119.237 -0.411 . . . . 99.99 110.024 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.508 ' H ' ' HG2' ' C' ' 1' ' ' MET . 5.5 m -110.34 97.98 7.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.315 -1.365 . . . . 99.99 107.315 174.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.6 102.61 13.7 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.584 0.754 . . . . 99.99 110.426 -174.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 70.36 142.4 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.557 1.543 . . . . 99.99 112.414 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.11 -34.1 72.68 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.517 0.727 . . . . 99.99 112.031 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 54.84 -168.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.62 0.768 . . . . 99.99 112.433 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 39.9 p -119.15 -54.79 2.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.793 -0.818 . . . . 99.99 108.793 170.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -169.2 -42.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.068 1.347 . . . . 99.99 108.914 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 45.3 ttm 63.87 111.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.063 1.745 . . . . 99.99 112.122 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 56.3 m -132.56 97.97 4.22 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.688 0.795 . . . . 99.99 109.896 168.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.417 ' HB2' HG23 ' C' ' 86' ' ' ILE . 28.7 p90 -126.7 148.78 49.83 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 170.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.594 HD13 ' HH ' ' C' ' 101' ' ' TYR . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 82.71 108.372 172.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 99.99 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 17.72 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 9.52 109.673 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 51.3 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.785 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.553 HD11 ' HG2' ' D' ' 117' ' ' MET . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 13.13 106.14 173.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 15.89 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 10.19 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 26.52 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 43.6 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.495 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' HZ3' ' D' ' 19' ' ' LYS . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 57.64 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.55 HG23 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 78.76 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.45 ' HD3' HD22 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 99.99 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.493 ' HA ' ' HD2' ' E' ' 297' ' ' TYR . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.576 ' HA ' ' HE3' ' E' ' 294' ' ' LYS . 23.2 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 72.29 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 99.99 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.495 ' HB2' HG11 ' E' ' 288' ' ' VAL . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 99.99 109.742 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.438 ' H ' ' HA3' ' E' ' 436' ' ' GLY . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 99.99 107.627 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' THR . . . . . 0.507 HG21 ' HB1' ' E' ' 282' ' ' ALA . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 90.89 110.328 -176.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.413 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 55.92 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 78.18 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 57.25 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.567 HD13 HD13 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 99.99 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' E' ' 274' ' ' GLN . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.533 ' HA ' ' HG3' ' E' ' 276' ' ' PRO . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 97.58 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 43.88 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 30.1 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 99.67 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.627 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.501 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 31.81 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.79 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.589 HG23 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 29.1 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 36.6 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 38.08 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 65.72 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.45 HD22 ' HD3' ' C' ' 34' ' ' LYS . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 99.99 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 83.21 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 40.89 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 38.89 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.48 ' HD1' ' HH ' ' E' ' 297' ' ' TYR . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 66.65 111.953 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 32.91 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' C' ' 23' ' ' PHE . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' HG1' ' C' ' 63' ' ' THR . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 14.84 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.785 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 44.2 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 26.52 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 12.17 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.567 HD13 HD13 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 39.17 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp -114.42 138.42 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.73 143.08 20.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.004 0.922 . . . . 99.99 109.275 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.96 24.58 68.61 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 115.671 1.029 . . . . 99.99 115.671 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -82.54 126.09 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 117.654 0.727 . . . . 99.99 109.884 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.9 148.74 31.15 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 122.035 -0.416 . . . . 99.99 110.439 -165.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.09 -153.95 26.0 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.753 -0.658 . . . . 99.99 112.795 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -65.42 -19.52 65.98 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.163 0.585 . . . . 99.99 110.557 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.661 ' HA ' ' HB3' ' C' ' 96' ' ' HIS . 1.7 mp0 -60.73 -27.96 68.32 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.062 1.345 . . . . 99.99 111.469 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -59.03 4.45 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.774 0.83 . . . . 99.99 109.925 176.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.41 56.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.71 0.804 . . . . 99.99 111.811 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . 0.661 ' HB3' ' HA ' ' C' ' 93' ' ' GLN . 79.2 t60 -67.37 -39.26 85.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.643 0.777 . . . . 99.99 111.749 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p -82.91 -44.62 15.16 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 81.7 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' C' ' 134' ' ' ASP . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 68.22 111.296 -175.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.594 ' HH ' HD13 ' C' ' 13' ' ' ILE . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 85.73 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.56 ' HB3' HD23 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 52.77 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 18.22 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 62.78 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 20.21 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 17.97 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.431 ' HE2' HG22 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 10.09 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 18.56 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 31.03 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.427 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 26.09 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.589 HG21 HG23 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 21.24 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 14.3 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 10.17 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.727 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 12.08 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 54.79 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 23.93 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 27.3 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.55 ' HE1' HG23 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 36.76 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.435 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 44.0 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.533 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.43 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 92.07 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 43.42 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.585 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 64.09 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 45.54 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 40.22 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 98.11 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.67 -21.24 63.54 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.433 ' HB2' ' HB1' ' C' ' 100' ' ' ALA . 33.7 t70 -69.38 -23.14 63.7 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.424 0.527 . . . . 99.99 112.424 -176.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.5 80.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.269 0.627 . . . . 99.99 111.885 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 pp -72.73 -27.34 61.99 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 116.032 -0.531 . . . . 99.99 110.879 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -80.02 -41.83 25.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.14 0.576 . . . . 99.99 110.893 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 27.6 ttt -78.23 -32.82 49.97 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.979 0.911 . . . . 99.99 112.906 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.51 -32.73 74.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -25.08 -77.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.942 2.097 . . . . 99.99 113.397 -165.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.94 79.24 1.89 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 105.115 -2.179 . . . . 99.99 105.115 175.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -72.01 -19.44 61.86 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 115.411 -0.813 . . . . 99.99 111.045 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.01 132.65 47.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.538 0.735 . . . . 99.99 110.763 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 62.52 36.32 14.02 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 124.17 0.988 . . . . 99.99 110.618 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.68 ' HB2' ' HG2' ' A' ' 3' ' ' GLU . . . -71.87 91.36 1.17 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.974 -0.557 . . . . 99.99 109.653 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.27 -54.46 6.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.0 -1.0 . . . . 99.99 113.44 -172.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -88.36 71.91 9.0 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.145 0.578 . . . . 99.99 110.435 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 52.3 -85.3 0.01 OUTLIER Glycine 0 C--N 1.354 1.548 0 CA-C-N 114.349 -1.296 . . . . 99.99 116.156 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 34.9 m 69.73 101.39 0.06 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.157 1.783 . . . . 99.99 111.854 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.91 74.59 0.43 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.398 1.479 . . . . 99.99 113.379 172.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 40.9 71.74 0.18 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.016 1.726 . . . . 99.99 112.994 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -139.8 135.6 33.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.085 -0.962 . . . . 99.99 109.369 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . 0.714 ' HB2' ' H1 ' ' C' ' 1' ' ' MET . 53.8 tt0 -142.17 -62.77 0.44 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.45 -1.315 . . . . 99.99 107.45 175.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.15 105.2 1.51 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.011 -1.477 . . . . 99.99 107.011 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.481 0 O-C-N 124.569 1.168 . . . . 99.99 109.094 -160.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.475 ' SD ' ' N ' ' D' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t 57.91 62.87 1.94 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.39 1.076 . . . . 99.99 110.572 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.4 -43.38 90.8 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.606 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -134.2 174.92 9.98 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.388 173.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -132.99 -157.78 0.84 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.494 1.118 . . . . 99.99 108.623 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.92 -19.18 64.92 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.33 0.652 . . . . 99.99 111.767 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.7 m -75.66 85.83 2.7 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.459 -0.941 . . . . 99.99 108.459 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -92.99 147.81 22.52 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.845 -1.07 . . . . 99.99 109.6 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.606 ' SD ' HG22 ' D' ' 89' ' ' ILE . 9.4 tpt -33.31 124.68 0.4 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.895 1.278 . . . . 99.99 112.64 168.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 37.6 m -116.69 119.88 36.88 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.116 1.366 . . . . 99.99 107.596 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' HE2' ' D' ' 9' ' ' MET . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 79.57 108.557 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 99.99 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.468 HH22 ' HB3' ' E' ' 302' ' ' ASP . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.41 HD12 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 81.0 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.495 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 28.79 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 14.92 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.485 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 58.5 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.727 HG21 ' HE1' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 14.63 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 15.53 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.587 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 6.05 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 14.28 107.727 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 16.78 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 22.87 113.852 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.402 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 21.13 113.12 -174.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 30.2 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 64.18 113.399 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' E' ' 263' ' ' ALA . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 34.41 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 54.02 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.419 ' O ' HG13 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 34.31 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.433 HG12 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 83.42 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.555 ' HZ2' HG11 ' E' ' 121' ' ' VAL . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.71 ' HB3' HG12 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 97.22 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' E' ' 108' ' ' HIS . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 99.99 108.926 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . 0.644 ' HB1' ' HD1' ' E' ' 108' ' ' HIS . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 62.54 108.731 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.42 ' HB3' HG21 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 55.71 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 61.91 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . 0.656 ' NE2' HD23 ' E' ' 100' ' ' LEU . 56.2 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.99 109.251 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 93.38 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 99.99 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . 0.697 ' HA ' HD12 ' E' ' 97' ' ' ILE . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 99.99 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.612 ' HB2' HD13 ' E' ' 100' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 71.26 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 36.06 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 79.92 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 22.5 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.557 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 23.18 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 24.43 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 32.61 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 25.12 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.422 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 49.15 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 32.34 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . 0.412 ' H ' HD22 ' E' ' 412' ' ' LEU . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 33.15 112.256 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 19.1 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.422 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 12.32 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 8.66 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 19.44 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.555 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . 0.437 HG22 HG13 ' D' ' 114' ' ' ILE . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 10.02 110.01 -176.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.636 ' HG3' HG12 ' D' ' 59' ' ' VAL . 28.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 29.4 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.439 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.3 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 65.32 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.49 HG12 HD13 ' E' ' 97' ' ' ILE . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 99.99 109.963 -170.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' D' ' 9' ' ' MET . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' E' ' 82' ' ' ALA . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 92' ' ' THR . . . . . 0.433 ' HG1' HG12 ' E' ' 185' ' ' VAL . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' E' ' 79' ' ' GLU . 5.8 tp-100 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 99.99 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 99.99 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 70.12 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 64.46 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 46.86 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 45.41 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 38.42 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 87.71 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 35.35 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 21.86 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 12.38 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 8.42 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 15.0 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 17.35 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 12.17 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . 0.556 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.56 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.554 HD12 HD12 ' D' ' 128' ' ' LEU . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 19.17 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 19.58 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 14.23 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.555 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 6.04 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 19.19 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 16.36 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.465 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 7.12 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 35.79 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 27.88 110.926 173.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 17.97 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.433 HD13 HG12 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 33.77 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 99.99 109.565 168.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.554 HD12 HD12 ' D' ' 114' ' ' ILE . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 35.86 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 48.78 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 48.18 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.476 HG21 HG13 ' E' ' 121' ' ' VAL . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 95.86 110.444 -177.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.426 ' O ' HD11 ' D' ' 136' ' ' LEU . 14.7 t30 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.89 -60.26 3.39 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.68 85.0 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.217 -175.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.453 HD22 HD21 ' E' ' 111' ' ' LEU . 10.7 mp -53.07 -49.64 65.98 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.859 0.864 . . . . 99.99 112.975 -172.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -74.56 -45.25 46.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.359 0.263 . . . . 99.99 111.486 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.7 -22.15 62.49 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.933 0.493 . . . . 99.99 111.859 -175.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -78.75 -24.92 44.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.04 0.936 . . . . 99.99 109.5 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.519 ' HE2' ' HE2' ' E' ' 114' ' ' LYS . 92.1 t80 -84.2 -30.86 25.43 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.861 0.464 . . . . 99.99 111.098 172.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.81 -29.79 70.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.065 0.546 . . . . 99.99 111.796 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -82.1 4.77 21.83 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.989 0.915 . . . . 99.99 112.096 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.32 94.81 4.5 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.402 1.081 . . . . 99.99 108.966 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -141.6 79.27 1.67 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 171.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.34 40.51 27.55 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.536 -1.211 . . . . 99.99 110.462 -172.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 100.97 -163.59 18.36 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -170.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -86.27 103.73 15.15 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 69.13 60.52 5.14 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.958 0.786 . . . . 99.99 113.078 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 39.5 p 75.2 -44.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.794 2.037 . . . . 99.99 113.901 174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -98.07 -79.31 0.47 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.537 -0.542 . . . . 99.99 109.537 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 177.09 -12.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.697 0.799 . . . . 99.99 111.454 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -136.2 72.16 1.43 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.273 0.629 . . . . 99.99 110.492 -172.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -58.37 4.45 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 175.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.95 91.15 8.2 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.787 -0.819 . . . . 99.99 108.787 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.03 0.932 . . . . 99.99 108.628 179.755 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.11 84.19 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.462 0.705 . . . . 99.99 109.49 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -116.89 142.34 47.06 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.259 1.024 . . . . 99.99 109.001 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 57.4 p -66.52 -45.14 80.47 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.792 0.837 . . . . 99.99 110.034 174.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -64.68 154.07 37.69 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.755 -1.111 . . . . 99.99 110.968 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.438 HG22 HD12 ' B' ' 128' ' ' LEU . 44.8 mm -61.42 112.84 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.082 0.953 . . . . 99.99 111.069 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' B' ' 129' ' ' ALA . . . -161.98 -150.05 0.18 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.053 1.341 . . . . 99.99 108.849 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.468 ' H ' HG11 ' B' ' 131' ' ' VAL . 89.3 mt -119.66 126.99 52.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.712 -0.847 . . . . 99.99 108.712 170.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 53.85 2.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.56 0.744 . . . . 99.99 109.005 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt 58.69 -95.92 0.06 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.195 1.398 . . . . 99.99 109.27 -165.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -174.98 144.25 0.82 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -74.13 20.02 0.42 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.829 2.353 . . . . 99.99 113.553 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 32.1 tp 66.24 -72.19 0.08 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.0 1.72 . . . . 99.99 111.281 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.88 85.87 0.23 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.773 0.829 . . . . 99.99 109.531 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.38 -16.1 60.91 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.792 1.237 . . . . 99.99 111.08 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.416 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 17.5 m 59.78 66.68 2.01 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.419 1.088 . . . . 99.99 109.427 -167.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' E' ' 16' ' ' THR . 5.4 Cg_exo -82.39 -148.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 124.486 3.457 . . . . 99.99 112.957 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.465 HG12 HD23 ' B' ' 98' ' ' LEU . 18.6 m -52.45 -52.72 23.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 0 C-N-CA 124.807 1.243 . . . . 99.99 113.589 -175.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -141.64 66.25 1.36 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.473 0.709 . . . . 99.99 109.701 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.562 ' O ' ' SD ' ' B' ' 94' ' ' MET . 0.1 OUTLIER 60.83 -165.74 0.21 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.14 0.976 . . . . 99.99 109.592 -173.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.04 60.29 0.85 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.055 -0.72 . . . . 99.99 109.055 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.572 ' HG3' HG21 ' E' ' 23' ' ' THR . 12.4 ptm180 -172.97 -30.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 114.222 -1.353 . . . . 99.99 111.432 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' THR . . . . . 0.572 HG21 ' HG3' ' E' ' 22' ' ' ARG . 27.2 p -121.48 115.88 30.95 Favored Pre-proline 0 N--CA 1.49 1.541 0 CA-C-O 118.49 -0.767 . . . . 99.99 110.861 -170.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.62 120.97 6.47 Favored 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 123.509 2.806 . . . . 99.99 114.237 -171.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 27.65 -88.39 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.388 1.875 . . . . 99.99 113.781 -170.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 3.1 ppp? 162.17 -33.39 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 C-N-CA 127.688 2.395 . . . . 99.99 110.204 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.98 -58.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.78 1.671 . . . . 99.99 111.373 171.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.564 HG12 ' H ' ' E' ' 29' ' ' LEU . 2.4 p -141.71 -92.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 115.645 -0.707 . . . . 99.99 110.346 177.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . 0.564 ' H ' HG12 ' E' ' 28' ' ' VAL . 16.0 tp 57.79 -67.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.774 1.63 . . . . 99.99 111.323 -164.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 73.56 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.92 1.688 . . . . 99.99 107.482 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . 0.502 ' HB3' ' HG3' ' B' ' 3' ' ' GLU . 41.3 m-80 -143.35 -14.75 0.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.506 1.122 . . . . 99.99 109.88 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 2' ' ' SER . 29.1 ttm180 -81.79 125.33 30.53 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.511 0.724 . . . . 99.99 109.643 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.35 147.45 48.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.002 0.814 . . . . 99.99 110.585 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.19 69.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.863 0.865 . . . . 99.99 112.092 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -74.81 112.33 10.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.32 97.26 Favored Glycine 0 C--N 1.351 1.404 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -157.4 138.46 13.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.014 0.926 . . . . 99.99 109.203 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 tp -149.87 17.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 124.2 1.0 . . . . 99.99 108.697 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 37.7 m 60.12 -83.42 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.933 1.293 . . . . 99.99 109.512 -166.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.96 151.77 0.19 Allowed Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 126.121 1.768 . . . . 99.99 108.828 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.58 99.73 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.109 1.873 . . . . 99.99 111.088 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.18 175.41 5.4 Favored Glycine 0 C--N 1.355 1.609 0 N-CA-C 115.676 1.031 . . . . 99.99 115.676 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . 0.531 ' H ' ' HA2' ' B' ' 148' ' ' GLY . . . 129.85 120.67 2.26 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 123.098 0.38 . . . . 99.99 112.65 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . 0.737 ' HB3' ' HA3' ' B' ' 148' ' ' GLY . . . -117.77 -68.3 0.93 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.107 0.563 . . . . 99.99 111.26 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 73.86 -41.85 0.5 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.713 1.605 . . . . 99.99 111.3 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -170.68 -59.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.366 1.067 . . . . 99.99 111.087 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . 0.482 ' H ' HD21 ' E' ' 47' ' ' LEU . 2.5 pt? -120.59 -25.0 5.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.821 0.674 . . . . 99.99 112.821 -167.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' E' ' 44' ' ' ALA . 50.6 m 63.14 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.165 0.986 . . . . 99.99 110.931 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.9 35.25 1.51 Allowed Glycine 0 C--N 1.348 1.196 0 N-CA-C 110.843 -0.903 . . . . 99.99 110.843 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.47 76.26 10.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.628 -1.249 . . . . 99.99 107.628 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . 0.509 ' HG2' ' HB3' ' E' ' 61' ' ' ASP . 0.0 OUTLIER -93.27 -68.48 0.8 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.846 0.684 . . . . 99.99 112.846 -169.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -93.07 -67.19 0.87 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.04 0.385 . . . . 99.99 112.04 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.51 -58.13 2.29 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.974 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.02 176.37 2.14 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.884 0.74 . . . . 99.99 111.303 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.59 80.19 1.08 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.691 1.196 . . . . 99.99 111.198 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.14 -164.37 1.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.761 1.224 . . . . 99.99 108.967 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.4 -60.46 3.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 162.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 44.2 t 44.55 -80.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 125.005 1.322 . . . . 99.99 114.34 164.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . 0.434 HD22 ' HA2' ' E' ' 208' ' ' GLY . 63.6 tp -168.22 157.38 9.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.131 1.373 . . . . 99.99 108.907 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -82.93 -69.65 0.61 Allowed 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 173.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' E' ' 51' ' ' GLN . 31.0 t70 58.05 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 125.884 1.674 . . . . 99.99 113.097 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -60.22 116.73 18.84 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 124.47 1.108 . . . . 99.99 111.16 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.35 -20.28 24.4 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 122.832 2.355 . . . . 99.99 112.783 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.75 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.434 1.494 . . . . 99.99 111.079 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -168.71 173.06 7.49 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.873 1.269 . . . . 99.99 107.864 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.494 HD21 HG23 ' E' ' 67' ' ' ILE . 0.5 OUTLIER -75.82 140.54 42.34 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 170.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.494 HG23 HD21 ' E' ' 66' ' ' ASN . 16.4 tt 42.16 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 C-N-CA 126.446 1.898 . . . . 99.99 114.809 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . 0.571 HD11 HE22 ' B' ' 142' ' ' GLN . 1.8 mp -99.0 119.19 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.298 -1.371 . . . . 99.99 107.298 167.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.491 HD21 ' HG ' ' E' ' 70' ' ' LEU . 6.8 tt -140.42 98.01 3.34 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.059 -1.46 . . . . 99.99 107.059 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.491 ' HG ' HD21 ' E' ' 69' ' ' LEU . 43.5 mt 63.48 -166.59 0.22 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 99.99 111.099 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' D' ' 132' ' ' ASN . 76.3 mt 72.61 84.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.32 1.048 . . . . 99.99 110.294 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.4 64.52 0.59 Allowed Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.767 -1.106 . . . . 99.99 112.417 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -86.57 179.7 6.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.843 0.857 . . . . 99.99 111.57 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.35 81.44 0.26 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 109.803 -1.319 . . . . 99.99 109.803 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 178.62 6.93 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.762 0.825 . . . . 99.99 112.851 -174.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.72 128.47 39.79 Favored Glycine 0 C--N 1.363 2.064 0 O-C-N 124.348 1.03 . . . . 99.99 114.371 -173.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -103.64 53.76 0.75 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.012 1.325 . . . . 99.99 111.648 -170.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 46.7 p -65.93 -16.37 63.8 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.115 0.966 . . . . 99.99 112.92 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.543 ' HB3' HE21 ' D' ' 93' ' ' GLN . 14.5 pt-20 -65.13 -16.53 63.59 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.439 1.096 . . . . 99.99 113.837 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.52 -52.89 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.676 0.79 . . . . 99.99 110.317 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 63.9 m -78.91 100.55 7.28 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.2 -0.909 . . . . 99.99 109.609 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . 0.461 ' HA ' ' HA3' ' D' ' 91' ' ' GLY . . . -108.81 67.69 0.66 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.66 90.99 1.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.492 -0.776 . . . . 99.99 110.314 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -167.69 106.78 0.54 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.927 0.891 . . . . 99.99 109.652 170.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -158.64 130.25 6.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.295 1.038 . . . . 99.99 108.465 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -138.77 169.56 17.57 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.339 0.655 . . . . 99.99 110.228 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 125.11 22.74 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.885 0.874 . . . . 99.99 111.399 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . 0.408 ' HG3' ' HD3' ' E' ' 95' ' ' LYS . 1.2 pm0 -86.57 -173.73 4.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.276 1.03 . . . . 99.99 111.444 -175.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.75 -89.77 0.09 OUTLIER Glycine 0 C--N 1.355 1.601 0 CA-C-O 120.066 -0.297 . . . . 99.99 113.625 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.41 111.75 5.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.745 0.818 . . . . 99.99 111.761 -172.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.47 45.83 1.26 Allowed Glycine 0 C--N 1.353 1.526 0 O-C-N 123.338 0.399 . . . . 99.99 113.898 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.7 -26.73 73.57 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.902 -0.479 . . . . 99.99 111.902 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.23 -160.19 0.78 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.599 1.16 . . . . 99.99 109.158 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.29 163.79 12.31 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.955 0.902 . . . . 99.99 110.078 172.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . 0.408 ' HD3' ' HG3' ' E' ' 88' ' ' GLU . 0.0 OUTLIER -133.76 121.47 21.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.113 0.565 . . . . 99.99 110.463 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.93 22.68 0.02 OUTLIER Glycine 0 C--N 1.347 1.185 0 CA-C-N 116.018 -0.537 . . . . 99.99 113.045 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' D' ' 54' ' ' ASP . 30.1 mt -124.99 144.2 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.89 0.876 . . . . 99.99 109.935 174.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -118.72 104.67 10.82 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.911 -1.144 . . . . 99.99 107.911 162.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 72.9 121.68 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.238 1.415 . . . . 99.99 112.988 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.656 HD23 ' NE2' ' D' ' 50' ' ' GLN . 4.0 mm? -83.38 163.15 51.29 Favored Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.378 1.071 . . . . 99.99 108.662 171.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.09 73.66 5.65 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 122.729 2.286 . . . . 99.99 112.786 -171.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.407 ' HA ' ' OG1' ' E' ' 107' ' ' THR . 3.4 mm? -123.2 35.91 4.76 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.556 -1.202 . . . . 99.99 108.735 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -57.79 92.95 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.873 1.269 . . . . 99.99 111.982 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.16 -137.02 8.49 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.767 -1.333 . . . . 99.99 109.767 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -99.72 -42.3 6.92 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.389 0.676 . . . . 99.99 110.09 171.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -156.28 138.86 15.01 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' E' ' 102' ' ' LEU . 3.8 m -84.15 27.33 0.68 Allowed 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.297 0.57 . . . . 99.99 111.573 -173.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . 0.644 ' HD1' ' HB1' ' D' ' 47' ' ' ALA . 81.4 t60 -89.63 96.05 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.74 -0.6 . . . . 99.99 109.736 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.402 ' HB2' ' H ' ' E' ' 110' ' ' ALA . 24.0 m-85 -125.02 -91.61 0.53 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . 0.402 ' H ' ' HB2' ' E' ' 109' ' ' TYR . . . -171.81 -165.86 0.39 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.121 1.368 . . . . 99.99 108.129 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.453 HD21 HD22 ' D' ' 136' ' ' LEU . 14.0 tp -142.55 141.52 32.05 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.7 -0.481 . . . . 99.99 109.7 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 67.12 150.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.372 1.469 . . . . 99.99 112.911 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -67.27 86.07 0.16 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.92 0.888 . . . . 99.99 109.253 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . 0.519 ' HE2' ' HE2' ' D' ' 140' ' ' TYR . 51.4 pttt -63.77 104.45 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.445 -1.252 . . . . 99.99 110.421 -178.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -139.65 -49.94 0.49 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.484 0.713 . . . . 99.99 109.522 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.4 -112.52 0.58 Allowed Glycine 0 C--N 1.343 0.918 0 N-CA-C 111.177 -0.769 . . . . 99.99 111.177 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.48 121.5 71.1 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 108.589 -0.893 . . . . 99.99 108.589 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -73.64 65.02 4.76 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.967 2.444 . . . . 99.99 110.738 168.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -73.02 93.42 1.76 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.095 0.958 . . . . 99.99 108.92 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 17.9 t80 170.4 -42.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.16 1.784 . . . . 99.99 106.724 -170.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.555 HG11 ' HZ2' ' D' ' 41' ' ' LYS . 16.2 t -124.1 87.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 114.276 -1.329 . . . . 99.99 107.583 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -162.45 27.36 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 122.03 0.919 . . . . 99.99 110.186 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.73 -148.56 0.26 Allowed 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 125.411 1.484 . . . . 99.99 111.39 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 27.4 m 71.27 -166.83 0.15 Allowed 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 125.076 1.35 . . . . 99.99 113.014 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 72.47 78.43 0.15 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.424 1.49 . . . . 99.99 110.225 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -139.73 38.18 2.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.524 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 11.0 p -153.13 146.01 24.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.41 0.684 . . . . 99.99 110.388 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.13 -171.81 3.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.266 0.626 . . . . 99.95 111.624 -171.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 129' ' ' THR . . . . . 0.478 ' HB ' HH22 ' B' ' 15' ' ' ARG . 14.9 m 71.99 88.27 0.1 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.661 1.585 . . . . 99.99 111.628 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -173.2 112.28 0.21 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.77 0.828 . . . . 99.99 110.184 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -152.77 168.02 27.08 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.797 0.839 . . . . 99.99 108.808 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 74.7 m -84.66 137.77 33.06 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.936 -0.478 . . . . 99.99 112.153 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.507 HG22 HD13 ' A' ' 126' ' ' LEU . 22.2 p -76.33 -80.95 0.09 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 124.179 0.992 . . . . 99.99 111.509 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.47 2.22 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 119.494 -0.615 . . . . 99.66 111.799 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.61 158.17 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 117.618 0.709 . . . . 99.99 112.609 -168.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.549 ' HB2' ' HG3' ' A' ' 130' ' ' PRO . 39.2 mttm -139.19 -174.57 3.9 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.651 1.581 . . . . 99.99 108.014 172.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 18.2 m -161.9 -66.2 0.05 Allowed 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.516 1.126 . . . . 99.99 109.091 162.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 63.8 80.89 0.22 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.064 1.746 . . . . 99.99 111.12 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -159.26 158.72 33.07 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.197 0.999 . . . . 99.99 109.693 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' C' ' 96' ' ' HIS . . . -168.43 -174.68 37.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 120.166 -0.241 . . . . 99.99 113.638 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.29 81.47 0.14 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.915 1.286 . . . . 99.99 111.925 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.54 -46.12 3.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.144 0.578 . . . . 99.99 110.272 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.61 167.9 27.54 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-N 116.306 -0.406 . . . . 99.99 112.959 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -150.91 162.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.946 0.898 . . . . 99.99 108.856 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -72.62 112.03 8.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.279 -0.637 . . . . 99.99 109.279 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.0 pt -96.46 90.51 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-O 121.939 0.876 . . . . 99.99 109.265 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.556 ' HB3' ' NH2' ' E' ' 289' ' ' ARG . 40.4 t60 -145.51 159.15 43.53 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.992 -0.549 . . . . 99.99 110.112 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.66 -170.77 0.73 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.966 0.906 . . . . 99.99 111.061 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -138.07 146.98 43.6 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.962 0.505 . . . . 99.99 109.883 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.57 135.02 57.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.406 1.082 . . . . 99.99 110.778 169.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 30.75 74.97 0.41 Allowed Pre-proline 0 N--CA 1.489 1.52 0 C-N-CA 126.285 1.834 . . . . 99.99 114.404 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.63 69.22 2.82 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.123 1.882 . . . . 99.99 110.524 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.6 t -93.13 81.71 4.53 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.951 1.358 . . . . 99.99 111.171 -165.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . 0.443 HG21 HD11 ' E' ' 439' ' ' LEU . 16.4 tt -82.22 -12.22 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 CA-C-N 114.04 -1.436 . . . . 99.99 108.785 164.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.87 -46.86 80.04 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.97 1.308 . . . . 99.99 110.467 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -21.77 60.56 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.911 -0.586 . . . . 99.99 109.669 177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 28.3 ttt -80.37 77.94 7.1 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.258 0.551 . . . . 99.99 110.44 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 57.31 76.19 0.33 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.095 1.358 . . . . 99.99 112.393 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . 0.613 ' HB3' ' HZ3' ' E' ' 159' ' ' LYS . 0.4 OUTLIER -69.73 -41.05 75.8 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.287 0.635 . . . . 99.99 110.789 -179.497 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.21 -51.28 5.86 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.069 -0.715 . . . . 99.99 109.069 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.04 22.96 4.78 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.7 1.2 . . . . 99.99 111.22 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -100.04 100.21 2.16 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.278 -172.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.48 98.31 8.11 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.63 -1.618 . . . . 99.99 106.63 171.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -106.77 58.61 0.63 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.146 0.979 . . . . 99.99 109.443 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 11.9 t -159.31 47.62 0.3 Allowed 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 122.412 1.101 . . . . 99.99 108.308 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -54.61 102.02 0.12 Allowed Glycine 0 C--N 1.359 1.821 0 CA-C-N 113.698 -1.592 . . . . 99.99 114.268 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 76.1 -39.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 126.279 1.832 . . . . 99.99 112.878 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . 0.593 ' HA ' ' NE2' ' E' ' 174' ' ' GLN . 10.3 p -63.62 -28.39 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.661 0.785 . . . . 99.99 112.192 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.6 p 49.42 35.85 8.8 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.846 1.258 . . . . 99.99 112.441 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 38.1 m 72.07 96.22 0.07 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.659 1.583 . . . . 99.99 111.78 175.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 74.67 -8.18 1.56 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.607 1.563 . . . . 99.99 114.281 169.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.67 170.73 16.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.181 0.592 . . . . 99.99 112.025 -174.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.7 mp -91.95 134.85 34.42 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.101 -0.954 . . . . 99.99 110.036 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.593 ' NE2' ' HA ' ' E' ' 168' ' ' VAL . 1.7 mp0 -87.05 174.85 8.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.992 0.917 . . . . 99.99 109.832 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -76.78 76.31 3.41 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.948 -1.13 . . . . 99.99 107.948 168.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.79 -39.8 79.97 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.426 -1.261 . . . . 99.99 109.74 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 5.5 t 36.28 71.86 0.86 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 126.078 1.751 . . . . 99.99 111.82 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.73 78.25 2.84 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 123.133 2.555 . . . . 99.99 110.773 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.77 18.83 6.33 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.121 0.969 . . . . 99.99 111.122 -172.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -101.14 90.85 4.28 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 123.972 0.909 . . . . 99.99 109.563 -169.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.7 165.86 13.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.103 -0.953 . . . . 99.99 108.632 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.69 132.91 30.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-N 115.919 -0.582 . . . . 99.99 109.602 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.22 140.68 58.9 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.553 -0.906 . . . . 99.99 108.553 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -57.21 -56.24 24.35 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.202 0.939 . . . . 99.99 110.945 -173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . 0.433 HG12 ' HG1' ' D' ' 92' ' ' THR . 5.1 t 49.88 33.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 C-N-CA 124.94 1.296 . . . . 99.99 111.051 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 4.0 t -118.93 -47.69 2.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.78 -0.575 . . . . 99.99 110.292 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 38.1 t 66.24 168.02 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.615 1.166 . . . . 99.99 110.916 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.59 125.86 1.82 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.353 0.661 . . . . 99.99 109.349 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' E' ' 190' ' ' CYS . 34.8 mttm 56.48 -91.22 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 124.921 1.288 . . . . 99.99 110.977 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . 0.405 ' H ' ' HB2' ' E' ' 189' ' ' LYS . 84.5 m 52.9 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.004 1.722 . . . . 99.99 113.119 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -109.29 -49.38 3.12 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.12 0.968 . . . . 99.99 108.529 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 134.34 85.26 0.23 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 109.588 -1.405 . . . . 99.99 109.588 -173.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.99 -26.68 74.03 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 123.47 2.78 . . . . 99.99 113.804 -171.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 33.4 t -154.65 167.5 29.94 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.6 0.76 . . . . 99.99 110.159 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -152.31 -50.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 77.4 p 44.27 -97.19 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.122 1.769 . . . . 99.99 112.451 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 79.8 p 50.18 -76.82 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.386 1.874 . . . . 99.99 113.668 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.505 ' HG3' ' HD2' ' E' ' 199' ' ' LYS . 11.9 pt-20 -73.4 -34.83 65.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.197 0.999 . . . . 99.99 110.631 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.505 ' HD2' ' HG3' ' E' ' 198' ' ' GLU . 13.5 mptt -76.11 99.98 4.83 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.602 -0.888 . . . . 99.99 108.602 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' E' ' 205' ' ' LEU . 35.8 t 60.14 80.26 0.27 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 124.615 1.197 . . . . 99.99 111.358 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.09 3.39 4.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.228 2.619 . . . . 99.99 113.922 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -113.79 21.33 16.41 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 119.351 -0.694 . . . . 99.99 112.958 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.08 83.42 0.1 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.656 1.183 . . . . 99.99 111.447 174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 59.29 23.64 12.07 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.536 1.134 . . . . 99.99 112.014 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' E' ' 200' ' ' CYS . 0.9 OUTLIER 42.28 33.36 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 126.714 2.005 . . . . 99.99 112.97 -175.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -72.9 -61.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -132.31 -82.26 0.5 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.938 -1.134 . . . . 99.99 107.938 170.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . 0.434 ' HA2' HD22 ' E' ' 59' ' ' LEU . . . 56.88 -107.27 0.89 Allowed Glycine 0 C--N 1.347 1.169 0 N-CA-C 112.006 -0.437 . . . . 99.99 112.006 -171.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.83 -11.52 78.12 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 122.836 0.255 . . . . 99.99 113.321 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' E' ' 210' ' ' LYS . 0.5 OUTLIER -85.34 93.91 8.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.607 0.763 . . . . 99.99 109.292 175.069 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -88.8 -131.43 3.99 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.9 -0.591 . . . . 99.99 112.61 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.2 t 64.3 10.79 5.89 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.074 1.349 . . . . 99.99 111.96 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.413 HD11 ' HD1' ' B' ' 137' ' ' PHE . 52.0 mt 58.85 -82.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 125.47 1.508 . . . . 99.99 110.838 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.8 t -145.24 1.2 0.95 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.98 0.912 . . . . 99.99 110.408 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . 0.501 ' HA ' HH22 ' E' ' 221' ' ' ARG . 10.0 mm-40 -80.84 -9.07 59.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.889 1.275 . . . . 99.99 111.871 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -47.79 -28.84 2.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.014 1.326 . . . . 99.99 113.076 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.447 ' HB2' HH21 ' E' ' 221' ' ' ARG . 90.3 mt -52.26 110.12 0.46 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.442 1.097 . . . . 99.99 111.199 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 81.2 mt 65.8 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.278 1.431 . . . . 99.99 109.988 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -177.64 -67.23 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.667 1.187 . . . . 99.99 108.458 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.82 -86.15 0.07 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.685 0.794 . . . . 99.99 109.734 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.501 HH22 ' HA ' ' E' ' 215' ' ' GLU . 8.8 tmm_? 58.28 -70.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.083 1.753 . . . . 99.99 113.278 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . 0.481 ' HB3' ' NH1' ' E' ' 221' ' ' ARG . . . -66.24 -50.93 62.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.39 0.676 . . . . 99.99 111.227 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 59.14 -147.41 0.49 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 124.326 1.016 . . . . 99.99 110.145 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.84 124.21 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.03 157.36 31.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.22 1.008 . . . . 99.99 112.162 -175.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 55.32 3.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.314 1.045 . . . . 99.99 110.197 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 163.37 115.27 0.33 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.473 -1.051 . . . . 99.99 110.473 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -172.94 139.02 4.98 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.729 -0.548 . . . . 99.99 111.729 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -123.01 -58.16 0.2 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 112.0 -0.44 . . . . 99.99 112.0 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 76.61 -46.08 0.51 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.791 1.636 . . . . 99.99 112.567 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -120.06 -64.04 1.3 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.893 0.877 . . . . 99.99 109.007 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 m 61.64 18.48 9.6 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.035 1.334 . . . . 99.99 112.492 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 51.94 28.68 5.37 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 124.356 1.062 . . . . 99.99 112.69 -177.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -83.2 -14.25 53.75 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.481 0.713 . . . . 99.99 111.591 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -164.67 1.16 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.705 1.202 . . . . 99.99 110.34 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 36.6 m 79.07 -32.22 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.631 1.572 . . . . 99.99 112.744 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -53.04 -55.96 19.76 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.188 0.995 . . . . 99.99 111.33 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 238' ' ' THR . . . . . 0.586 HG22 ' H ' ' E' ' 239' ' ' ALA . 3.3 m 60.16 -168.57 0.16 Allowed 'General case' 0 CA--C 1.566 1.592 0 O-C-N 124.366 1.041 . . . . 99.99 110.187 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . 0.586 ' H ' HG22 ' E' ' 238' ' ' THR . . . -146.64 -48.49 0.19 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 121.697 -0.627 . . . . 99.99 109.903 169.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 76.98 -69.71 2.42 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 72.21 114.46 0.06 Allowed 'General case' 0 C--O 1.244 0.766 0 C-N-CA 125.789 1.635 . . . . 99.99 113.366 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -153.46 93.98 1.75 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.346 -1.297 . . . . 99.99 107.858 166.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.504 ' HG2' ' N ' ' E' ' 245' ' ' LYS . 61.6 tt0 71.92 145.18 0.07 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.961 1.304 . . . . 99.99 112.391 172.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -87.23 -27.99 26.48 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.659 -0.701 . . . . 99.99 111.635 170.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.504 ' N ' ' HG2' ' E' ' 243' ' ' GLN . 57.6 tptt 72.95 -91.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.572 1.549 . . . . 99.99 109.165 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.439 ' OG1' ' HD2' ' E' ' 248' ' ' ARG . 68.4 p 49.9 -153.54 0.13 Allowed 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 125.035 1.334 . . . . 99.99 114.06 171.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 20.8 tp -70.79 -9.04 56.6 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.309 1.044 . . . . 99.99 113.352 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.439 ' HD2' ' OG1' ' E' ' 246' ' ' THR . 0.0 OUTLIER -45.01 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.185 1.92 . . . . 99.99 116.185 -172.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.88 -36.34 67.52 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 119.335 0.971 . . . . 99.99 112.17 170.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -47.3 86.35 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.127 0.971 . . . . 99.99 111.026 171.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.18 70.87 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.569 -0.741 . . . . 99.99 111.077 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -42.97 68.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.478 1.111 . . . . 99.99 108.525 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.73 74.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.296 1.038 . . . . 99.99 110.907 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -66.36 -75.36 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.386 -0.824 . . . . 99.99 109.418 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 68.42 32.55 75.63 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.044 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.11 86.54 2.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.461 0.648 . . . . 99.99 110.883 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -84.38 -20.66 31.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.764 -1.107 . . . . 99.99 109.15 167.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 mp -75.16 -22.2 58.26 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.245 1.018 . . . . 99.99 110.976 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.1 133.23 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 108.231 -1.026 . . . . 99.99 108.231 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 88.2 p 54.65 40.7 32.05 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.847 1.259 . . . . 99.99 109.722 -166.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.17 146.35 43.72 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.161 -1.836 . . . . 99.99 112.164 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -79.63 -31.46 41.61 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.561 0.744 . . . . 99.99 111.777 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' D' ' 33' ' ' GLN . . . -69.31 -28.33 66.17 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.289 0.566 . . . . 99.99 110.778 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 16.4 m -85.39 -39.68 17.32 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.397 -0.819 . . . . 99.99 109.405 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.2 22.77 13.05 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.293 1.437 . . . . 99.99 109.781 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.4 m120 70.3 -52.69 0.65 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.809 1.644 . . . . 99.99 110.858 -166.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.5 t 75.34 175.74 0.23 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.329 1.852 . . . . 99.99 110.917 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.68 124.66 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 123.605 0.762 . . . . 99.99 110.999 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.8 t -104.98 -147.75 0.4 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 108.27 -1.011 . . . . 99.99 108.27 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.54 97.7 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.635 0.774 . . . . 99.99 109.099 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -93.55 2.27 56.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 117.118 -1.42 . . . . 99.99 114.25 -166.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -38.55 -43.35 0.85 Allowed 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 124.824 1.25 . . . . 99.99 113.666 -166.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -82.19 65.61 7.39 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' C' ' 53' ' ' ASP . 54.7 mt-30 -69.11 -39.72 78.77 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 116.247 -0.433 . . . . 99.99 110.637 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -109.72 124.63 33.17 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.331 -0.395 . . . . 99.99 109.941 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.533 ' HG3' ' HA ' ' C' ' 54' ' ' ASP . 36.4 Cg_endo -88.65 -159.7 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 123.064 2.509 . . . . 99.99 110.262 157.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.06 123.03 10.56 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.22 1.008 . . . . 99.99 112.248 168.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -163.98 129.13 2.88 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -160.66 -78.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.139 -0.384 . . . . 99.99 112.139 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.14 140.81 29.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.082 0.553 . . . . 99.99 110.026 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.37 -74.64 0.32 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.961 1.304 . . . . 99.99 107.809 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . 0.507 ' HB1' HG21 ' C' ' 46' ' ' THR . . . -175.77 105.24 0.08 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.349 1.06 . . . . 99.99 108.863 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.42 -56.36 3.67 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.926 -0.768 . . . . 99.99 108.926 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -160.22 50.22 0.37 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.166 -1.574 . . . . 99.99 109.166 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -89.77 -35.96 15.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 114.236 -0.982 . . . . 99.99 110.859 -170.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' E' ' 286' ' ' MET . 0.6 OUTLIER -78.34 113.91 38.07 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.178 0.991 . . . . 99.99 111.79 -175.357 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -76.58 -10.11 18.65 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 122.911 2.408 . . . . 99.99 111.526 171.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' C' ' 42' ' ' LEU . 91.2 t 70.56 -69.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 126.075 1.75 . . . . 99.99 110.945 -174.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.556 ' NH2' ' HB3' ' E' ' 147' ' ' HIS . 0.0 OUTLIER 64.96 95.98 0.05 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.962 1.305 . . . . 99.99 109.134 -174.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.43 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 -79.18 119.44 22.27 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 169.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 90.0 -176.88 42.72 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.82 -59.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.045 2.496 . . . . 99.99 112.862 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.576 ' HE3' ' HA ' ' C' ' 37' ' ' GLN . 14.3 ptmm? -166.29 140.83 4.38 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.007 0.923 . . . . 99.99 109.479 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.62 29.29 4.81 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.858 0.863 . . . . 99.99 108.956 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.569 HG22 ' HD1' ' E' ' 297' ' ' TYR . 2.8 m -144.19 145.36 32.04 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.02 -0.991 . . . . 99.99 109.081 -171.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.569 ' HD1' HG22 ' E' ' 296' ' ' THR . 2.1 m-85 64.02 102.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.727 1.211 . . . . 99.99 110.831 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -149.41 134.63 18.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.453 0.301 . . . . 99.99 110.706 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 82.44 -66.54 3.88 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 123.862 0.726 . . . . 99.99 111.842 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' C' ' 36' ' ' TRP . 19.6 t-20 -157.55 168.84 26.14 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.86 -1.163 . . . . 99.99 107.86 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.31 157.19 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 167.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . 0.468 ' HB3' HH22 ' D' ' 15' ' ' ARG . 24.2 t70 -56.13 121.42 9.38 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 172.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -63.23 135.88 96.44 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.714 0.805 . . . . 99.99 110.785 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -42.25 114.13 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.101 2.534 . . . . 99.99 112.391 163.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -65.58 -26.75 67.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.824 0.85 . . . . 99.99 112.762 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' B' ' 129' ' ' ALA . 64.1 t -79.43 122.09 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 109.017 -0.734 . . . . 99.99 109.017 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 13.7 t -135.18 147.89 49.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.302 0.641 . . . . 99.99 110.628 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.87 157.28 26.36 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.02 0.928 . . . . 99.99 110.117 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 30.9 p -129.57 75.35 79.97 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 124.356 1.062 . . . . 99.99 110.099 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -81.93 -3.58 11.76 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 122.467 2.111 . . . . 99.99 112.405 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -100.63 161.11 24.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.44 1.496 . . . . 99.99 110.054 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.44 -177.95 2.71 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.582 2.188 . . . . 99.99 111.338 171.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -83.39 -50.55 8.22 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 122.385 -0.197 . . . . 99.99 110.795 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.67 68.95 0.24 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.201 0.524 . . . . 99.99 110.272 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 74.54 -55.09 0.66 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.691 1.596 . . . . 99.99 111.719 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 72.86 96.21 0.07 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.375 1.47 . . . . 99.99 110.321 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 32.8 t -65.15 134.67 54.23 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.225 1.01 . . . . 99.99 111.456 -176.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.66 125.56 90.82 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 123.247 0.619 . . . . 99.99 111.061 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.98 61.81 8.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.977 2.451 . . . . 99.99 111.591 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 26.5 m -83.89 111.9 19.65 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.583 -0.735 . . . . 99.99 110.575 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.2 tt 76.52 -64.8 0.33 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.589 1.556 . . . . 99.99 112.452 165.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' E' ' 326' ' ' ASP . . . -88.04 -52.76 5.08 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.705 0.802 . . . . 99.99 111.903 -175.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.536 ' HG2' ' H ' ' E' ' 324' ' ' MET 0.276 1.3 pm0 37.45 -92.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.869 1.668 . . . . 99.99 113.449 -165.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.536 ' H ' ' HG2' ' E' ' 323' ' ' GLN . 0.0 OUTLIER -80.13 -37.09 34.24 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.373 0.533 . . . . 99.99 110.627 -173.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.6 t -108.23 99.47 8.88 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.575 0.702 . . . . 99.99 109.627 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.549 ' HA ' ' HB1' ' E' ' 322' ' ' ALA . 28.1 t70 -57.84 -43.06 85.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.171 0.988 . . . . 99.99 111.592 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.526 ' HB3' HG12 ' E' ' 329' ' ' ILE . 38.2 tttm -163.02 172.55 14.83 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.197 0.311 . . . . 99.99 110.64 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.08 3.6 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.588 0.755 . . . . 99.99 112.437 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' E' ' 327' ' ' LYS . 36.8 pt -60.43 -26.25 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 123.417 0.687 . . . . 99.99 110.825 168.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.779 ' HB3' ' HB2' ' E' ' 337' ' ' LYS . 31.9 mt-10 -82.13 -17.58 45.91 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.052 1.341 . . . . 99.99 112.216 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 25.9 tp -82.1 -14.57 55.59 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.691 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.87 -178.78 7.23 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.696 0.798 . . . . 99.99 110.86 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 82.8 p 58.5 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.777 2.031 . . . . 99.99 112.75 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -135.27 16.46 3.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.655 0.782 . . . . 99.99 111.67 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' E' ' 339' ' ' PHE . 10.4 m120 59.63 29.55 19.12 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.727 0.811 . . . . 99.99 110.846 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -56.09 -46.21 79.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.184 0.994 . . . . 99.99 113.5 -165.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.779 ' HB2' ' HB3' ' E' ' 330' ' ' GLU . 72.8 mmtt -105.61 -22.63 12.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.647 0.379 . . . . 99.99 110.72 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -78.9 -36.46 28.43 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 123.366 0.416 . . . . 99.99 113.363 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . 0.452 ' HB2' ' HB3' ' E' ' 335' ' ' ASN . 89.9 t80 -95.26 148.93 21.88 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.091 0.957 . . . . 99.99 109.779 -177.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -142.86 -170.51 3.25 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 99.99 109.364 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.51 88.21 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.354 0.661 . . . . 99.99 110.538 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -90.41 78.07 6.46 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.975 0.91 . . . . 99.99 110.633 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.42 128.69 48.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 114.461 -1.245 . . . . 99.99 108.443 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.92 149.57 21.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.709 0.403 . . . . 99.99 109.982 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -99.68 14.55 60.43 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.623 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.13 84.49 5.1 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.835 0.854 . . . . 99.99 110.548 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.0 p -116.35 16.71 15.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.491 1.117 . . . . 99.99 109.46 173.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.03 110.75 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.85 156.02 38.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.244 0.617 . . . . 99.99 109.797 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -43.42 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.497 1.519 . . . . 99.99 112.569 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -78.71 -24.58 44.86 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.346 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -69.91 86.3 0.52 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.93 0.871 . . . . 99.99 109.4 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.46 -62.77 1.29 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.322 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -165.06 24.51 0.06 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.529 0.732 . . . . 99.99 109.975 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.47 -23.95 0.22 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.043 1.737 . . . . 99.99 113.72 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.6 t30 58.28 96.15 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 124.724 1.21 . . . . 99.99 110.817 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.32 82.45 0.29 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.008 2.472 . . . . 99.99 112.456 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.1 p -81.95 -29.9 31.98 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.006 0.922 . . . . 99.99 110.804 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.58 -24.75 21.84 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.889 -0.596 . . . . 99.99 113.194 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 63.67 -81.76 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.099 1.36 . . . . 99.99 110.281 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 13.6 tt -101.6 26.6 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 CA-C-O 122.021 0.915 . . . . 99.99 109.613 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -64.19 -25.97 70.09 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-N 115.292 -0.867 . . . . 99.99 113.201 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.02 -34.27 77.71 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.731 0.812 . . . . 99.99 110.084 174.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 18.5 m 58.92 71.18 0.6 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.786 1.234 . . . . 99.99 111.562 171.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 74.8 t -124.53 119.66 56.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 C-N-CA 123.768 0.827 . . . . 99.99 108.868 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -82.59 84.47 7.24 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.279 0.632 . . . . 99.99 109.465 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.91 -4.55 50.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.038 0.935 . . . . 99.99 112.141 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 6.6 p-10 -61.84 -33.26 73.83 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.524 0.729 . . . . 99.99 111.945 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.72 -28.34 68.35 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 111.756 0.28 . . . . 99.99 111.756 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.72 86.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.751 0.42 . . . . 99.99 110.774 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.32 -21.76 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.145 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 79.2 mt-30 -63.35 -50.92 68.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.59 0.356 . . . . 99.99 110.559 172.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.99 91.87 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.399 -0.364 . . . . 99.99 110.487 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.13 -28.36 68.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.213 0.605 . . . . 99.99 111.924 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.14 -41.81 85.48 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.117 0.967 . . . . 99.99 108.607 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.18 -31.53 66.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.416 -0.811 . . . . 99.99 111.587 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -77.64 -19.06 56.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.018 0.527 . . . . 99.99 110.727 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.77 -39.55 84.11 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.221 0.534 . . . . 99.99 109.872 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -69.2 -49.38 57.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.855 -1.066 . . . . 99.99 109.216 172.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' E' ' 380' ' ' LYS . 10.5 mmpt? -98.9 57.64 1.11 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 114.345 -1.298 . . . . 99.99 109.929 -175.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 125.3 23.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.639 -0.71 . . . . 99.99 109.372 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -71.94 80.92 0.56 Allowed Glycine 0 C--N 1.347 1.165 0 O-C-N 124.095 0.872 . . . . 99.99 113.571 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.12 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.487 1.515 . . . . 99.99 112.534 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.1 p -82.58 176.23 9.54 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.219 -0.66 . . . . 99.99 109.219 165.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.86 97.01 1.33 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.21 131.1 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.993 0.517 . . . . 99.99 111.273 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 2.2 mp -112.06 113.69 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.369 -1.345 . . . . 99.99 107.369 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 6.4 p -71.09 112.58 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.943 -0.762 . . . . 99.99 108.943 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 58.6 p -74.83 132.24 41.38 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.465 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -121.31 120.06 34.0 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.779 1.231 . . . . 99.99 108.017 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.55 156.7 36.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.201 0.6 . . . . 99.99 110.019 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -78.58 -36.6 44.15 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.557 0.743 . . . . 99.99 112.295 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.93 6.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.745 0.418 . . . . 99.99 111.228 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.83 -46.92 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.761 0.824 . . . . 99.99 110.52 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -165.7 105.07 0.71 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.538 0.735 . . . . 99.99 109.992 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 58.6 p -151.46 -75.93 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.829 0.452 . . . . 99.99 110.785 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -131.47 10.73 4.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.901 0.88 . . . . 99.99 110.032 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.84 -16.18 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 C-N-CA 123.706 0.802 . . . . 99.99 111.431 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 14.0 p -138.22 141.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.486 0.714 . . . . 99.99 109.735 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 71.33 148.36 0.12 Allowed Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 125.501 1.52 . . . . 99.99 113.218 173.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 130.45 22.92 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 122.463 2.108 . . . . 99.99 111.659 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -140.25 99.48 3.67 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.831 0.852 . . . . 99.99 108.95 -172.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 2.0 m -140.79 -60.99 0.5 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.652 0.263 . . . . 99.99 110.41 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.469 ' HG2' ' HD2' ' E' ' 406' ' ' PRO . 0.0 OUTLIER -169.14 169.3 9.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.352 0.661 . . . . 99.99 110.024 -176.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.15 6.4 Favored Pre-proline 0 CA--C 1.565 1.521 0 CA-C-O 118.526 -0.75 . . . . 99.99 112.959 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . 0.469 ' HD2' ' HG2' ' E' ' 404' ' ' LYS . 6.1 Cg_exo -76.09 -169.5 0.7 Allowed 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 122.419 2.079 . . . . 99.99 113.398 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -70.99 -39.85 63.12 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 115.565 -0.743 . . . . 99.99 112.033 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.43 -109.57 0.21 Allowed 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 118.445 -0.788 . . . . 99.99 109.173 173.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.9 m 64.03 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.679 1.192 . . . . 99.99 111.692 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.42 133.11 34.68 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.523 0.729 . . . . 99.99 109.461 -176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 66.97 16.8 10.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.793 1.237 . . . . 99.99 112.997 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.412 HD22 ' H ' ' D' ' 69' ' ' GLY . 7.8 mp 61.78 -147.41 0.4 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 124.496 1.119 . . . . 99.99 109.587 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -164.62 129.24 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.083 0.856 . . . . 99.99 110.712 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 22.8 p -62.57 -58.68 6.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.752 1.221 . . . . 99.99 112.041 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -82.28 11.24 5.62 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.088 -0.96 . . . . 99.99 111.439 -170.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.08 -37.53 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.915 0.886 . . . . 99.99 109.456 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.66 -38.3 3.38 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 110.633 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.51 7.38 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.982 1.313 . . . . 99.99 111.691 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.11 71.28 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 CA-C-O 123.183 1.468 . . . . 99.99 109.594 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 36.7 ttp -89.66 90.29 8.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.059 -1.428 . . . . 99.99 107.845 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . 0.511 HG22 ' H ' ' E' ' 422' ' ' MET . 9.3 p -82.47 -152.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.882 0 CA-C-N 114.185 -1.37 . . . . 99.99 109.09 -176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 422' ' ' MET . . . . . 0.511 ' H ' HG22 ' E' ' 421' ' ' VAL . 84.8 mtp 70.79 -159.04 0.14 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.84 1.256 . . . . 99.99 109.897 -172.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.0 m 69.03 -178.07 0.22 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.491 1.117 . . . . 99.99 110.231 -169.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -85.79 -83.32 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.642 -0.503 . . . . 99.99 109.642 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 64.03 -130.91 39.25 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.107 0.255 . . . . 99.99 113.466 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -87.68 22.19 2.35 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.169 0.988 . . . . 99.99 111.294 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -84.44 59.02 5.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.845 0.858 . . . . 99.99 109.805 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 64.55 7.67 3.87 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.263 1.425 . . . . 99.99 113.723 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -83.02 -19.92 36.02 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.305 0.574 . . . . 99.99 110.059 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.26 -10.74 7.43 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.368 1.067 . . . . 99.99 112.257 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 42.6 m -62.25 -16.55 54.34 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.963 0.905 . . . . 99.99 112.123 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.29 -0.01 18.18 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.622 0.769 . . . . 99.99 112.474 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.489 ' HA ' ' NH1' ' C' ' 61' ' ' ARG . 10.6 pt-20 -69.88 169.08 13.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.351 0.66 . . . . 99.99 111.527 175.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 51.55 54.48 10.96 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.453 1.101 . . . . 99.99 113.487 160.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 12.1 m -141.27 51.68 1.58 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 122.326 1.06 . . . . 99.99 109.181 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . 0.438 ' HA3' ' H ' ' C' ' 44' ' ' LEU . . . -86.88 -122.53 1.52 Allowed Glycine 0 C--N 1.344 1.012 0 CA-C-N 114.504 -1.225 . . . . 99.99 112.503 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 66.4 m -144.33 104.45 4.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.236 0.614 . . . . 99.99 110.189 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -152.36 94.33 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 99.99 109.624 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . 0.443 HD11 HG21 ' E' ' 154' ' ' ILE . 46.2 tp -174.34 -49.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 99.99 108.48 170.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -80.79 -64.23 1.23 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.805 -0.634 . . . . 99.99 109.976 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . 0.52 HG23 ' HA ' ' E' ' 289' ' ' ARG . 49.4 mm 57.58 -82.37 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 125.241 1.416 . . . . 99.99 109.206 -172.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 60.88 -74.38 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.778 1.631 . . . . 99.99 113.057 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 57.27 62.31 2.23 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.977 1.311 . . . . 99.99 110.839 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -87.19 -25.97 23.79 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.605 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -68.82 141.77 37.0 Favored Glycine 0 C--N 1.356 1.671 0 CA-C-O 118.448 -1.195 . . . . 99.99 111.787 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -52.74 161.66 2.95 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 124.173 3.249 . . . . 99.99 115.772 -172.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -117.34 12.67 14.35 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.672 0.789 . . . . 99.99 110.5 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.68 120.51 11.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.61 0.764 . . . . 99.99 110.697 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -146.09 -159.57 1.03 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.312 1.045 . . . . 99.99 109.088 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.79 85.84 1.69 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.846 0.831 . . . . 99.99 109.164 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.02 142.64 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.762 -1.108 . . . . 99.99 110.172 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.519 HG21 ' SG ' ' A' ' 97' ' ' CYS . 17.4 m -109.75 -155.63 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.882 0.873 . . . . 99.99 110.412 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -153.56 174.82 32.11 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.852 -0.499 . . . . 99.99 111.852 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 56' ' ' TYR . 59.9 tp -118.06 144.29 45.72 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.26 -1.015 . . . . 99.99 108.26 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 4.4 t -162.33 -54.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.657 0.783 . . . . 99.99 109.584 174.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.17 162.94 13.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.202 1.001 . . . . 99.99 108.871 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -96.02 148.86 22.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.222 0.609 . . . . 99.99 110.595 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 38.2 p -119.19 7.03 11.24 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.398 0.679 . . . . 99.99 110.661 169.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.2 t70 68.76 166.33 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.593 1.157 . . . . 99.99 112.184 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.401 ' H ' HD22 ' E' ' 460' ' ' LEU . 1.8 mm? -65.07 140.91 58.88 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.097 0.959 . . . . 99.99 108.546 175.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 133' ' ' PHE . 33.0 p90 -131.48 29.96 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.471 0.308 . . . . 99.99 111.812 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 52.9 t80 68.5 141.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.567 1.147 . . . . 99.99 112.587 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 463' ' ' THR . . . . . 0.487 ' HB ' HG12 ' A' ' 131' ' ' VAL . 28.3 m -149.73 -68.95 0.2 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.569 1.148 . . . . 99.99 108.105 166.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.431 ' HA ' ' HE1' ' E' ' 464' ' ' MET . 3.0 tpt 43.72 85.98 0.02 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.865 1.266 . . . . 99.99 111.859 -172.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -90.03 98.26 11.67 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.295 -0.631 . . . . 99.99 109.295 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 67.54 -172.54 0.19 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.314 1.446 . . . . 99.99 112.089 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -139.25 178.08 7.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.646 0.778 . . . . 99.99 109.612 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 129' ' ' ALA . 1.4 pt? -122.52 141.49 51.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.708 0.803 . . . . 99.99 109.722 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.11 116.39 4.46 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 110.511 -1.036 . . . . 99.99 110.511 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.428 ' HA ' HG21 ' E' ' 133' ' ' THR . 2.0 tt -73.64 96.29 2.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.344 -0.614 . . . . 99.99 109.344 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 C-N-CA 124.396 1.078 . . . . 99.99 110.403 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.964 -0.384 . . . . 99.99 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 61.25 -146.48 0.44 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.743 0.817 . . . . 99.99 109.597 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 64.09 70.54 0.5 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.836 0.855 . . . . 99.99 110.778 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 74.84 -37.48 0.35 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.419 1.487 . . . . 99.99 112.46 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.28 76.49 0.53 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 124.365 1.066 . . . . 99.99 109.404 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 44.23 70.7 0.3 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.825 1.65 . . . . 99.99 110.553 -173.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -58.59 -73.78 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.434 -0.803 . . . . 99.99 109.915 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -137.97 -86.9 0.27 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 166.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.0 ptp 173.67 134.19 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.701 1.6 . . . . 99.99 108.585 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -175.95 145.12 0.64 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.557 0.577 . . . . 99.99 112.557 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -136.99 120.33 16.89 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 106.965 -1.494 . . . . 99.99 106.965 162.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -146.98 134.15 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.658 0.383 . . . . 99.99 110.094 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 99.99 110.684 -176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 34.4 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB3' HG23 ' B' ' 122' ' ' THR . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 17.02 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 50.99 109.733 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 18.45 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 13.15 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 6.92 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 22.19 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 43.73 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HZ1' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HG2' ' HG ' ' E' ' 470' ' ' LEU . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 63.88 112.064 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG23 HD13 ' E' ' 468' ' ' LEU . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 73.6 108.729 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 99.99 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.532 ' HB2' ' HZ1' ' A' ' 41' ' ' LYS . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.412 ' HG1' HD22 ' E' ' 460' ' ' LEU . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 50.91 109.185 175.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 67.81 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 99.99 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 81.17 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.23 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 75.11 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 32.98 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 27.21 107.571 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 28.74 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 35.81 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 19.33 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 29.68 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 25.47 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 80.58 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 99.99 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 40.21 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 30.66 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 59.79 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 30.86 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 20.96 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 21.28 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 80.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m -85.63 124.75 32.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 HD13 HG23 ' E' ' 452' ' ' VAL . 9.7 tp -117.32 136.87 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.566 0.347 . . . . 99.99 111.873 -175.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.84 159.92 0.87 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.933 0.893 . . . . 99.99 111.348 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.8 -39.01 2.74 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.971 -1.013 . . . . 99.99 113.584 163.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.499 HG21 ' H ' ' A' ' 90' ' ' GLU . 8.5 mt -143.32 172.87 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.746 -1.205 . . . . 99.99 107.746 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' H ' HG21 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -163.03 -160.81 0.65 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.054 0.942 . . . . 99.99 110.462 176.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.99 -161.26 54.39 Favored Glycine 0 C--N 1.35 1.312 0 C-N-CA 123.985 0.803 . . . . 99.99 114.261 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 t -73.52 -26.3 60.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.125 0.57 . . . . 99.99 111.448 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.47 -35.84 80.58 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.326 0.65 . . . . 99.99 110.216 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.49 ' HA ' ' HE2' ' A' ' 94' ' ' MET . 32.4 mmt -86.42 -13.23 46.89 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.326 1.232 . . . . 99.99 114.326 173.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.11 -26.43 49.77 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.338 0.517 . . . . 99.99 112.238 177.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -84.11 -18.71 35.96 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.425 0.528 . . . . 99.99 112.425 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.55 -57.95 8.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.779 0.431 . . . . 99.99 110.227 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -10.33 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.443 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 133' ' ' PHE . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 99.99 111.119 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 99.99 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 79.06 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 59.39 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 99.99 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 83.34 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 42.55 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.418 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 17.98 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 13.2 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 36.0 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 15.85 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.739 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 19.0 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 5.43 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 18.83 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 22.63 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 6.65 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 76' ' ' CYS . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 88.83 112.774 -169.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 51.92 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 39.96 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 11.33 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 32.89 109.98 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 19.39 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 30.18 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 90.79 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.418 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 93.81 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.474 ' HB3' HG13 ' E' ' 135' ' ' VAL . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 77.99 112.276 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.739 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 85.02 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.52 153.76 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -104.31 112.13 25.04 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.332 1.053 . . . . 99.99 111.525 -170.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.608 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 9.0 t80 -61.68 -33.88 74.76 Favored 'General case' 0 C--O 1.204 -1.335 0 CA-C-O 118.535 -0.745 . . . . 99.99 111.241 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.99 -27.81 20.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.517 0.727 . . . . 99.99 112.332 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.05 -59.14 5.84 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 123.448 0.468 . . . . 99.99 110.653 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.79 -8.27 59.68 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.234 1.014 . . . . 99.99 112.111 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.71 -39.89 56.65 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 123.57 0.748 . . . . 99.99 110.05 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.403 ' HE3' ' HA ' ' A' ' 138' ' ' MET . 6.4 mmt -63.62 -35.74 81.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.718 0.771 . . . . 99.99 109.145 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -71.09 -25.96 62.83 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 113.874 -1.512 . . . . 99.99 111.94 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.65 -33.72 13.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.454 0.702 . . . . 99.99 111.506 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.29 -44.58 72.04 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.131 1.772 . . . . 99.99 112.625 -168.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -157.8 -15.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.444 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -76.73 -47.06 22.99 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.369 -0.604 . . . . 99.99 109.369 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 50.88 49.62 20.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 99.99 110.884 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 62.49 -152.0 0.35 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.884 -1.053 . . . . 99.99 111.064 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 150' ' ' GLU . . . -67.46 102.79 0.85 Allowed Glycine 0 C--N 1.351 1.392 0 CA-C-N 117.804 0.274 . . . . 99.99 112.518 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -51.61 62.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.094 1.357 . . . . 99.99 112.124 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.27 -13.12 66.45 Favored Glycine 0 N--CA 1.47 0.91 0 N-CA-C 115.037 0.775 . . . . 99.99 115.037 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -155.45 -46.78 0.08 Allowed 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.792 0.796 . . . . 99.99 112.951 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.55 ' HA ' ' HA3' ' A' ' 146' ' ' GLY . 37.8 tt0 74.12 -57.07 0.63 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.785 1.634 . . . . 99.99 111.572 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.72 160.29 43.32 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.023 -1.103 . . . . 99.99 108.023 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -71.14 75.95 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.505 0.669 . . . . 99.99 109.91 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.29 -47.24 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.042 -1.466 . . . . 99.99 107.042 -170.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.2 -103.03 0.14 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.43 -1.259 . . . . 99.99 111.034 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.717 -0.658 . . . . 99.99 109.665 -174.418 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t 64.22 -172.83 0.17 Allowed 'General case' 0 C--O 1.253 1.246 0 C-N-CA 124.527 1.131 . . . . 99.99 109.641 -171.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 67.2 171.0 0.26 Allowed 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.758 0.823 . . . . 99.99 110.571 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.468 ' N ' HE21 ' B' ' 4' ' ' GLN . 0.0 OUTLIER -105.82 13.03 30.12 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.358 -0.839 . . . . 99.99 110.894 177.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.425 ' HB2' HE21 ' B' ' 93' ' ' GLN . 9.5 t30 65.37 -72.69 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.164 1.386 . . . . 99.99 110.104 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -135.4 -70.2 0.49 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.115 0.966 . . . . 99.99 109.218 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.4 p -86.25 -73.9 0.44 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.023 0.529 . . . . 99.99 109.854 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.464 ' HA ' ' HB3' ' B' ' 4' ' ' GLN . 35.8 tt0 175.09 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.264 1.426 . . . . 99.99 109.615 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.509 ' HA ' ' HA3' ' B' ' 88' ' ' GLY . 15.2 ttt 67.35 163.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.091 1.757 . . . . 99.99 111.741 -168.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.485 ' N ' ' HG2' ' B' ' 9' ' ' MET . 10.1 t -159.18 142.84 14.9 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.198 1.399 . . . . 99.99 107.258 168.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 -149.59 154.07 38.09 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.626 0.77 . . . . 99.99 109.14 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.58 HD11 ' H ' ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 61.13 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 99.99 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 99.99 110.171 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 22.84 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.401 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 25.35 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 18.25 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 41.37 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.534 HD12 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 15.07 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 29.37 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.55 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 11.41 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 27.88 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 51.27 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' HZ3' ' HB3' ' B' ' 71' ' ' GLU . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 99.99 110.678 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HA ' HD21 ' B' ' 68' ' ' LEU . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 99.89 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 41' ' ' LYS . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.573 HD13 ' HA ' ' E' ' 8' ' ' LEU . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 99.99 110.018 -170.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.67 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.443 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 89.58 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 50.34 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 99.99 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 44.59 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 98.19 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 93.17 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 98.7 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 99.99 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 85.08 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 32.75 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 89.85 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.67 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 99.99 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 30.69 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 50.25 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 27.1 109.042 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 27.69 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 28.91 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.403 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 82.69 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' B' ' 38' ' ' PRO . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 84.99 107.203 173.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 91.81 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.416 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 39.53 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.721 ' HA ' HG23 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 37.29 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 21.12 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 29.86 106.458 177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 13.61 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 13.23 109.076 -178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 36.68 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 12.8 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.401 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 51.05 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.407 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 99.99 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 99.23 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 99.99 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' B' ' 9' ' ' MET . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.768 HG23 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.448 ' HG3' ' HG2' ' E' ' 336' ' ' GLU . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' B' ' 5' ' ' ASN . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.557 ' HE1' ' HB3' ' E' ' 15' ' ' PHE . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 99.37 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 67.76 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 81.59 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 55.65 113.268 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 48.03 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.512 ' HB3' ' HB ' ' E' ' 67' ' ' ILE . 15.0 t-20 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 99.99 111.0 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.481 HG21 HG23 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 59.06 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 27.15 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 18.14 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . 0.402 ' CD1' HG23 ' B' ' 16' ' ' ILE . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 25.24 110.449 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 18.19 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 76.84 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.534 ' SG ' HD12 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 28.75 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 30.1 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 17.12 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.81 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 50.71 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 23.64 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 49.99 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 17' ' ' TYR . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 33.79 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 28.26 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 39.05 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 99.99 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 99.99 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 99.99 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' E' ' 304' ' ' PRO . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 64.44 111.473 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 75.43 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.413 ' O ' HD23 ' E' ' 8' ' ' LEU . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.99 108.913 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.465 ' H ' HG13 ' E' ' 306' ' ' VAL . 44.6 m-80 -87.63 90.57 8.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -74.02 -6.59 48.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.798 1.239 . . . . 99.99 111.835 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.417 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 4.8 p-10 -50.59 -34.66 26.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.895 1.678 . . . . 99.99 113.755 -169.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.88 62.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.393 0.677 . . . . 99.99 110.625 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.01 -45.89 82.73 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.423 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 19.6 t80 -61.59 -42.78 99.36 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.358 -1.292 . . . . 99.99 110.795 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.27 -37.02 85.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.427 1.091 . . . . 99.99 111.239 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -75.49 -33.98 60.84 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.321 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -71.07 -22.18 62.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.895 0.878 . . . . 99.99 111.709 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 88.2 mt -77.32 -11.71 59.86 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.646 -0.693 . . . . 99.99 112.185 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 40.38 88.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.437 1.495 . . . . 99.99 111.603 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.02 74.53 1.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 122.328 1.061 . . . . 99.99 112.233 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -174.15 -63.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.932 1.293 . . . . 99.99 108.045 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.57 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.356 1.062 . . . . 99.99 110.719 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 57.63 45.28 93.43 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 114.831 0.693 . . . . 99.99 114.831 169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.04 -21.09 27.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.348 0.659 . . . . 99.99 110.932 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.62 42.09 5.22 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.724 -0.671 . . . . 99.99 112.651 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -84.21 158.39 21.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.457 -0.571 . . . . 99.99 109.457 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 51.5 90.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.478 1.111 . . . . 99.99 112.28 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 64.96 68.79 0.5 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.451 1.1 . . . . 99.99 111.438 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -161.3 -81.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.733 0.813 . . . . 99.99 110.123 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -83.94 -70.42 0.57 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.317 0.647 . . . . 99.99 110.129 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 176.48 -164.52 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.517 1.527 . . . . 99.99 108.632 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.626 0.77 . . . . 99.99 109.593 174.573 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' C' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.951 -0.759 . . . . 99.99 108.951 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -71.93 149.87 44.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.332 0.653 . . . . 99.99 109.989 172.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.99 -20.96 66.28 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.927 0.891 . . . . 99.99 112.032 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 59.65 35.5 22.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.174 0.99 . . . . 99.99 111.407 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' E' ' 444' ' ' TYR . 28.4 p-10 -61.56 -17.09 53.46 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 99.99 111.806 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -72.09 -2.42 18.41 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.088 1.355 . . . . 99.99 112.965 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -97.59 10.76 39.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.147 0.579 . . . . 99.99 110.573 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.57 ' HG2' ' HA ' ' E' ' 443' ' ' ALA . 9.2 tp10 -90.18 -78.58 0.37 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.293 -1.002 . . . . 99.99 108.293 171.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.553 ' SD ' ' HA3' ' C' ' 88' ' ' GLY . 18.1 mmt 61.7 154.51 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.006 1.322 . . . . 99.99 113.7 175.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 75.9 m -101.6 98.63 8.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.719 0.808 . . . . 99.99 108.966 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.507 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 1.8 t80 -118.55 123.98 46.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.578 1.151 . . . . 99.99 108.168 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.618 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 82.71 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 99.99 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 17.72 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.477 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 9.52 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 51.3 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 13.13 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 15.89 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 10.19 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 26.52 107.649 171.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 43.6 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 57.64 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.519 HG23 HD13 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 78.76 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.503 ' HA ' ' HH ' ' E' ' 297' ' ' TYR . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.659 ' HG2' HD11 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 99.99 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 72.29 111.293 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 99.99 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.439 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 99.99 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.404 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.463 HD22 HG21 ' E' ' 288' ' ' VAL . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' THR . . . . . 0.448 HG22 ' HB2' ' E' ' 285' ' ' ASN . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 90.89 110.436 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 55.92 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 78.18 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 57.25 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 99.99 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' HZ3' ' E' ' 275' ' ' LYS . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' C' ' 87' ' ' ALA . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 97.58 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 43.88 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 30.1 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 99.67 108.09 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 31.81 108.439 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.79 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.561 HG23 HG21 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 29.1 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 36.6 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 38.08 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 65.72 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.659 HD11 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 99.99 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 83.21 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 40.89 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 38.89 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 66.65 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 32.91 106.578 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 14.84 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.527 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 26.52 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.528 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 12.17 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.457 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.477 HG12 ' HE1' ' C' ' 17' ' ' TYR . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 39.17 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.32 102.86 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' C' ' 54' ' ' ASP . . . -131.25 143.73 50.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 99.99 109.056 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.553 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . 162.39 -88.95 0.11 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.304 -1.118 . . . . 99.99 110.304 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.484 ' N ' ' HE3' ' C' ' 94' ' ' MET . 11.3 tp 176.26 155.23 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 C-N-CA 125.222 1.409 . . . . 99.99 110.534 163.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.481 ' HB3' ' HA ' ' E' ' 278' ' ' LEU . 0.0 OUTLIER -78.06 -167.29 0.97 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.564 1.545 . . . . 99.99 113.93 -163.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' E' ' 149' ' ' LYS . . . 77.44 -149.44 35.34 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 110.244 -1.142 . . . . 99.99 110.244 -178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.568 ' HA ' ' HB1' ' C' ' 95' ' ' ALA . 0.3 OUTLIER -70.81 -16.77 62.76 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.013 0.525 . . . . 99.99 111.327 177.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' HE3' ' E' ' 149' ' ' LYS . 35.2 mt-30 -57.83 -68.34 0.25 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.755 1.222 . . . . 99.99 111.46 -174.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.484 ' HE3' ' N ' ' C' ' 89' ' ' ILE . 34.5 mtm -75.06 -21.17 59.16 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.236 0.458 . . . . 99.99 112.236 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.667 ' HA ' ' HB3' ' C' ' 98' ' ' LEU . . . -60.54 -19.22 56.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.775 0.657 . . . . 99.99 112.775 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -47.83 -59.76 3.08 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.486 0.314 . . . . 99.99 110.18 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' E' ' 141' ' ' ALA . 34.6 m -72.53 -48.76 37.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.79 -0.641 . . . . 99.99 109.936 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' E' ' 281' ' ' PHE . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 81.7 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 68.22 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.432 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 85.73 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 52.77 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 18.22 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.457 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 62.78 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 20.21 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 17.97 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 10.09 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 18.56 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 31.03 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.464 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 26.09 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.561 HG21 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 21.24 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 14.3 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 10.17 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.659 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 12.08 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 54.79 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' SER . . . . . 0.478 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 23.93 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 27.3 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 36.76 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 44.0 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.478 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 92.07 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 43.42 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.439 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 64.09 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 45.54 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 40.22 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 98.11 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -61.67 -24.5 66.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.2 -54.76 43.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.524 0.73 . . . . 99.99 110.142 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.9 65.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.244 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' E' ' 288' ' ' VAL . 0.2 OUTLIER -68.14 -26.06 65.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.556 0.743 . . . . 99.99 111.272 -177.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -61.64 -31.42 71.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.825 0.45 . . . . 99.99 111.483 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ttt -77.49 -45.09 26.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.709 0.404 . . . . 99.99 110.252 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -54.88 -36.02 64.68 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.787 0.835 . . . . 99.99 111.624 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . 0.567 ' HD1' ' HD2' ' E' ' 287' ' ' PRO . 56.3 t80 -40.67 -83.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.514 1.526 . . . . 99.99 112.427 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.68 -37.25 85.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.569 0.748 . . . . 99.99 110.841 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.3 -59.47 4.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.336 0.654 . . . . 99.99 111.864 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -156.0 112.04 3.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.893 0.477 . . . . 99.99 111.381 -171.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.99 -31.54 59.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.196 0.598 . . . . 99.99 110.878 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' E' ' 289' ' ' ARG . . . 52.77 -161.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.891 1.276 . . . . 99.99 112.179 -174.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.88 -56.18 4.64 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.97 130.7 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.717 1.607 . . . . 99.99 111.517 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -74.12 84.15 0.72 Allowed Glycine 0 C--N 1.343 0.958 0 N-CA-C 112.001 -0.44 . . . . 99.99 112.001 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.3 t -78.9 164.89 24.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.696 0.798 . . . . 99.99 109.884 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.51 -55.26 1.33 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.802 0.441 . . . . 99.99 110.725 -172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.08 91.36 0.05 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.969 1.308 . . . . 99.99 108.423 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -66.02 -22.93 66.47 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 68.95 140.47 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.656 1.183 . . . . 99.99 111.972 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.04 -70.76 0.27 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.727 0.411 . . . . 99.99 110.018 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.753 0.821 . . . . 99.99 109.057 -177.536 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.401 ' HB3' ' O ' ' D' ' 5' ' ' ASN . 25.2 ttt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.637 -0.134 . . . . 99.99 110.637 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m 74.13 -26.62 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.073 1.349 . . . . 99.99 113.907 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -67.05 -63.82 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.201 1.0 . . . . 99.99 109.56 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -97.12 8.9 43.54 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.793 0.837 . . . . 99.99 109.166 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' D' ' 1' ' ' MET . 65.0 t30 63.2 -65.52 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.299 1.84 . . . . 99.99 110.782 -164.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.56 89.45 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.246 1.419 . . . . 99.99 110.892 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.43 142.78 31.34 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.976 -1.12 . . . . 99.99 107.976 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -91.27 43.89 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 99.99 111.44 -170.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.443 ' SD ' HG23 ' D' ' 89' ' ' ILE . 10.6 tpt -33.7 129.94 0.3 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.044 1.337 . . . . 99.99 113.13 170.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.567 ' HB ' HD22 ' E' ' 85' ' ' ASN . 9.2 t -136.39 136.75 39.85 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.683 0.793 . . . . 99.99 108.915 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.424 ' HZ ' ' SG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 79.57 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . 0.472 HE22 ' HE2' ' E' ' 1' ' ' MET . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 99.99 112.546 -167.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 81.0 107.498 170.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 28.79 111.194 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 14.92 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 58.5 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.659 HG21 ' HE1' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 14.63 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 15.53 109.151 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 6.05 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 14.28 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 16.78 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 22.87 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.473 ' HB3' HD11 ' C' ' 83' ' ' ILE . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 21.13 112.959 -171.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 30.2 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 64.18 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 34.41 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 54.02 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 34.31 111.173 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.445 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 83.42 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.538 ' HA ' ' HD3' ' E' ' 114' ' ' LYS . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 99.99 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 97.22 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.422 HG21 ' HB3' ' E' ' 106' ' ' TYR . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 62.54 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 55.71 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 61.91 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.99 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 93.38 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.415 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 99.99 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 99.99 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.526 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 71.26 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 36.06 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 79.92 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 22.5 108.535 171.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.51 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 23.18 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 24.43 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 32.61 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 25.12 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.442 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 49.15 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.438 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 32.34 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 33.15 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 19.1 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 12.32 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 8.66 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 19.44 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . 0.415 HG22 HG13 ' D' ' 114' ' ' ILE . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 10.02 110.01 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.634 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 29.4 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.3 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 65.32 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 99.99 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.452 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 99.99 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.725 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 28.6 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.449 ' SD ' ' HB1' ' E' ' 99' ' ' ALA . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.451 ' HB1' HD23 ' E' ' 102' ' ' LEU . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 99.99 111.566 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 99.99 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.674 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 70.12 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 64.46 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . 0.452 ' CE1' ' SG ' ' E' ' 308' ' ' CYS . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 46.86 111.284 -177.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.674 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 45.41 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 38.42 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 87.71 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 35.35 110.298 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 21.86 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 12.38 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 8.42 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 15.0 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 17.35 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.481 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 12.17 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.56 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.643 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 19.17 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 19.58 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 14.23 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.47 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 6.04 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 19.19 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 16.36 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 7.12 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 122' ' ' THR . . . . . 0.566 HG21 ' NE1' ' E' ' 131' ' ' TRP . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 35.79 111.65 177.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 27.88 112.928 175.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 17.97 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 33.77 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.497 HD22 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 99.99 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 35.86 110.989 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 48.78 111.142 -174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.406 ' HB3' ' HG ' ' E' ' 69' ' ' LEU . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 48.18 110.818 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . 0.444 ' HA ' HD11 ' E' ' 71' ' ' ILE . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 95.86 110.026 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.29 -61.03 2.63 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.445 ' HA ' ' HE1' ' D' ' 138' ' ' MET . . . -61.47 -31.41 71.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.21 -0.905 . . . . 99.99 111.057 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' E' ' 120' ' ' TYR . 24.8 tp -50.54 -48.81 57.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.11 1.364 . . . . 99.99 112.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -60.18 -48.69 80.67 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.613 0.765 . . . . 99.99 111.397 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.445 ' HE1' ' HA ' ' D' ' 135' ' ' ALA . 71.6 mtm -70.91 -36.32 72.65 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 114.477 -1.238 . . . . 99.99 111.544 -172.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.33 -26.31 62.78 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.58 0.352 . . . . 99.99 111.783 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.99 -49.69 60.12 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.349 0.595 . . . . 99.99 110.186 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.98 -34.96 59.78 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.698 -1.137 . . . . 99.99 111.842 -169.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.23 -2.04 20.19 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.576 0.584 . . . . 99.99 112.576 -173.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -150.63 47.6 0.87 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.611 1.196 . . . . 99.99 108.629 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -147.33 133.54 19.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.325 -1.307 . . . . 99.99 108.258 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.14 118.46 9.24 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.547 0.739 . . . . 99.99 109.626 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.67 157.74 47.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 70.17 130.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.457 1.103 . . . . 99.99 111.124 -175.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.7 78.9 0.6 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.536 -1.026 . . . . 99.99 110.536 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 21.6 m -67.2 -28.23 67.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.033 0.933 . . . . 99.99 110.593 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 61.14 22.69 12.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.161 1.384 . . . . 99.99 112.26 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -61.37 -26.25 67.7 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.192 0.997 . . . . 99.99 111.298 175.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -64.96 -35.62 81.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.072 0.949 . . . . 99.99 110.156 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -93.88 -18.77 21.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.947 0.899 . . . . 99.99 111.152 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 61.96 43.97 8.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.88 1.272 . . . . 99.99 110.257 -166.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.177 1.391 . . . . 99.99 110.551 -177.248 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.472 ' HE2' HE22 ' D' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.159 -0.312 . . . . 99.99 110.159 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.432 ' HD2' ' HA ' ' E' ' 48' ' ' THR . 11.0 ptpt -164.81 -5.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.034 0.934 . . . . 99.99 110.935 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.532 ' HB2' ' HD3' ' E' ' 303' ' ' LYS . 21.4 mp0 -76.91 172.58 12.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.253 1.021 . . . . 99.99 109.858 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.8 t -171.97 133.4 0.72 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.418 0.687 . . . . 99.99 109.841 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' B' ' 129' ' ' ALA . 15.7 m -90.73 136.52 33.01 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.682 -0.858 . . . . 99.99 108.682 173.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.85 164.64 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.99 0.516 . . . . 99.99 111.143 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.95 165.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.031 1.333 . . . . 99.99 109.753 168.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.573 ' HA ' HD13 ' B' ' 42' ' ' LEU . 7.5 mp 60.98 -173.1 0.13 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.024 1.33 . . . . 99.99 113.15 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.71 -165.4 2.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.477 1.111 . . . . 99.99 108.73 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.12 -28.73 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.652 0.381 . . . . 99.99 111.087 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mp 66.61 77.95 0.26 Allowed Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 124.301 1.041 . . . . 99.99 111.33 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -82.61 56.37 5.67 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 123.004 2.469 . . . . 99.99 110.813 171.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.524 HD12 ' N ' ' E' ' 14' ' ' LEU . 1.5 pp -117.24 -39.94 3.15 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.265 1.026 . . . . 99.99 110.025 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . 0.524 ' N ' HD12 ' E' ' 13' ' ' LEU . 3.6 mm? 64.11 119.64 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 125.214 1.406 . . . . 99.99 112.788 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.557 ' HB3' ' HE1' ' B' ' 94' ' ' MET . 12.5 m-85 -75.59 145.12 41.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.247 0.619 . . . . 99.99 109.488 167.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.515 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 40.1 m -142.42 -49.23 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 123.162 0.585 . . . . 99.99 110.355 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 60.3 Cg_endo -98.32 158.85 0.79 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.039 1.826 . . . . 99.99 112.039 163.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.64 -19.59 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 CA-C-O 121.436 0.636 . . . . 99.99 109.37 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' THR . . . . . 0.441 HG21 ' HB2' ' E' ' 17' ' ' PRO . 14.6 t -83.46 -19.43 35.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.433 1.093 . . . . 99.99 112.055 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -152.43 177.18 10.87 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.836 0.854 . . . . 99.99 111.031 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.37 171.2 10.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.578 1.151 . . . . 99.99 109.051 171.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -90.57 158.5 16.95 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.169 0.588 . . . . 99.99 111.382 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 44.5 p -94.24 141.45 23.59 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 170.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.26 135.67 12.22 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.281 1.987 . . . . 99.99 112.437 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -71.22 148.97 46.72 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 166.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' E' ' 353' ' ' HIS . 55.2 ttm -39.06 95.69 0.1 OUTLIER Pre-proline 0 N--CA 1.502 2.135 0 C-N-CA 125.538 1.535 . . . . 99.99 114.042 -168.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.53 -13.88 3.28 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.172 2.581 . . . . 99.99 113.779 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.96 -32.45 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 119.023 -0.513 . . . . 99.99 111.78 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 59.23 -81.84 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.131 0.894 . . . . 99.99 109.412 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -70.88 0.73 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 166.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -148.75 93.83 2.18 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.616 0.766 . . . . 99.99 109.761 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 59.73 7.95 1.2 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.206 1.402 . . . . 99.99 112.274 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 178.94 167.48 0.93 Allowed 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.685 1.594 . . . . 99.99 108.925 -170.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.26 -52.73 20.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.056 0.542 . . . . 99.99 110.141 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 66.1 -73.21 0.07 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.074 1.35 . . . . 99.99 111.794 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.81 131.04 7.18 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 109.948 -1.261 . . . . 99.99 109.948 -173.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.82 83.59 0.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.331 1.062 . . . . 99.99 110.797 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 tp -88.94 101.38 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 107.366 -1.346 . . . . 99.99 107.366 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -77.47 74.13 4.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.783 0.802 . . . . 99.99 109.801 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.52 67.64 1.39 Allowed Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 108.686 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.23 120.42 6.98 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.444 2.096 . . . . 99.99 110.961 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.7 134.26 44.21 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.301 0.376 . . . . 99.99 112.188 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.71 -69.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 N-CA-C 112.137 -0.385 . . . . 99.99 112.137 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.94 26.11 6.0 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.306 1.042 . . . . 99.99 112.277 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 73.16 -58.39 0.6 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.947 1.699 . . . . 99.99 110.124 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -141.43 104.17 4.54 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.813 0.845 . . . . 99.99 109.198 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.85 -86.68 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.085 0.554 . . . . 99.99 110.071 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' THR . . . . . 0.432 ' HA ' ' HD2' ' E' ' 2' ' ' LYS . 14.4 t 37.11 37.98 0.09 Allowed 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 126.345 1.858 . . . . 99.99 114.972 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.73 139.32 26.18 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.917 -0.583 . . . . 99.99 111.735 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -80.19 85.89 5.67 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.968 0.89 . . . . 99.99 111.862 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -88.12 -14.23 39.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.03 -1.441 . . . . 99.99 108.052 161.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -44.45 -16.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 128.076 2.55 . . . . 99.99 115.328 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.09 22.93 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.019 0.928 . . . . 99.99 112.844 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.55 44.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.541 0.736 . . . . 99.99 112.099 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' E' ' 58' ' ' SER . 0.2 OUTLIER 64.12 22.07 12.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 125.267 1.427 . . . . 99.99 111.384 177.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.72 -79.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 126.914 2.086 . . . . 99.99 111.646 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.74 -61.0 2.0 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.252 1.421 . . . . 99.99 110.889 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 58' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' E' ' 55' ' ' LEU . 36.0 t 44.51 79.26 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.472 1.509 . . . . 99.99 113.062 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.06 -55.05 0.15 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.182 0.193 . . . . 99.99 111.434 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -155.65 -163.02 1.42 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.848 0.859 . . . . 99.99 109.27 -174.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.87 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.616 0.766 . . . . 99.99 109.387 170.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.553 ' HD3' ' HB3' ' E' ' 305' ' ' ALA . 0.5 OUTLIER -166.25 108.76 0.7 Allowed Pre-proline 0 CA--C 1.543 0.689 0 CA-C-O 118.435 -0.793 . . . . 99.99 109.543 175.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.44 100.72 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.196 2.597 . . . . 99.99 113.338 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.46 -179.66 2.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.308 1.443 . . . . 99.99 108.64 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' E' ' 308' ' ' CYS . 0.0 OUTLIER -154.26 91.67 1.45 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.307 -0.997 . . . . 99.99 108.307 171.217 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.79 157.43 18.08 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.239 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' B' ' 104' ' ' ASN . 15.6 tt -50.33 -55.5 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.26 0.624 . . . . 99.99 111.86 -174.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 36.9 mm 56.93 105.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.515 1.126 . . . . 99.99 111.728 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.406 ' HG ' ' HB3' ' D' ' 130' ' ' PRO . 2.3 mm? -75.76 83.08 2.73 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.459 -0.791 . . . . 99.99 110.94 -172.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -100.68 84.37 2.72 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.097 -1.446 . . . . 99.99 107.097 171.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.444 HD11 ' HA ' ' D' ' 131' ' ' VAL . 42.1 pt -87.31 8.6 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 N-CA-C 112.633 0.605 . . . . 99.99 112.633 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.78 -118.4 0.44 Allowed Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.664 -0.574 . . . . 99.99 111.664 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.17 137.01 35.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.936 0.894 . . . . 99.99 111.021 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.59 139.01 5.43 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.869 -0.892 . . . . 99.99 110.869 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.44 158.1 38.26 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.444 0.697 . . . . 99.99 110.362 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' E' ' 315' ' ' ASN . . . -136.54 122.87 2.73 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 110.805 -0.918 . . . . 99.99 110.805 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . 0.486 ' HA ' ' ND2' ' E' ' 315' ' ' ASN . 10.6 t70 -77.36 148.06 35.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.278 0.539 . . . . 99.99 111.076 -172.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 39.7 m -59.03 -27.86 65.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.525 1.13 . . . . 99.99 113.346 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.633 ' HG3' HG13 ' E' ' 80' ' ' ILE . 8.2 pt-20 -48.64 -42.06 33.13 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.486 1.114 . . . . 99.99 112.955 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.633 HG13 ' HG3' ' E' ' 79' ' ' GLU . 57.3 mt -95.17 103.31 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 95.4 m -122.12 140.37 52.63 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.218 -1.031 . . . . 99.99 108.218 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.65 77.94 0.19 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.099 0.96 . . . . 99.99 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 179.42 -44.17 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.13 1.372 . . . . 99.99 108.65 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.35 80.84 2.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.721 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . 0.567 HD22 ' HB ' ' D' ' 10' ' ' THR . 28.2 t-20 -160.87 105.09 1.36 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.969 . . . . 99.99 108.963 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -167.92 156.21 8.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.575 1.15 . . . . 99.99 108.953 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 75.13 -59.79 0.53 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.662 1.585 . . . . 99.99 111.993 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . 0.613 ' HG3' ' HA3' ' E' ' 96' ' ' GLY . 1.7 mp0 -65.17 95.74 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.33 1.052 . . . . 99.99 111.426 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . 0.489 ' HA2' ' HD1' ' E' ' 94' ' ' PHE . . . 174.03 -145.44 8.14 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.142 -0.481 . . . . 99.99 113.034 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 76.82 -70.19 0.14 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.279 1.431 . . . . 99.99 114.142 168.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.21 87.56 0.32 Allowed Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.891 0.716 . . . . 99.99 114.891 -167.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.93 -69.78 2.62 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 123.916 0.421 . . . . 99.99 112.442 176.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -116.24 -82.23 0.62 Allowed 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 108.596 -0.891 . . . . 99.99 108.596 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . 0.489 ' HD1' ' HA2' ' E' ' 89' ' ' GLY . 60.4 m-85 -149.17 168.17 23.96 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.215 1.006 . . . . 99.99 110.702 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -149.82 155.76 40.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.48 1.112 . . . . 99.99 109.666 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . 0.613 ' HA3' ' HG3' ' E' ' 88' ' ' GLU . . . 106.75 34.29 3.08 Favored Glycine 0 N--CA 1.472 1.073 0 N-CA-C 114.472 0.549 . . . . 99.99 114.472 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.725 ' HB ' ' HA ' ' D' ' 87' ' ' ALA . 6.4 tt -115.7 134.65 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 108.298 -1.001 . . . . 99.99 108.298 170.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.13 -69.76 0.27 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.968 0.507 . . . . 99.99 110.911 -171.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . 0.449 ' HB1' ' SD ' ' D' ' 94' ' ' MET . . . -92.62 -156.98 0.5 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 170.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -168.45 -53.35 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.642 -0.694 . . . . 99.99 111.77 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.3 165.41 30.53 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.146 1.897 . . . . 99.99 114.02 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.451 HD23 ' HB1' ' D' ' 95' ' ' ALA . 81.7 mt -68.54 -30.07 68.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.02 0.928 . . . . 99.99 111.333 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 68.8 p 58.27 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.492 1.917 . . . . 99.99 114.165 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.09 92.7 0.09 OUTLIER Glycine 0 CA--C 1.533 1.197 0 C-N-CA 123.229 0.443 . . . . 99.99 113.594 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 63.27 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.603 1.561 . . . . 99.99 111.809 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . 0.422 ' HB3' HG21 ' D' ' 46' ' ' THR . 95.0 m-85 -135.9 -56.07 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.42 1.088 . . . . 99.99 108.523 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 3.6 t -151.7 61.88 0.87 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 64.64 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.399 -1.273 . . . . 99.99 110.569 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -74.41 155.82 37.67 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.93 0.892 . . . . 99.99 109.746 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -19.03 64.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.933 0.893 . . . . 99.99 112.351 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 32.6 tp 78.05 -53.6 0.5 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.407 1.883 . . . . 99.99 111.3 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 66.67 -172.78 0.19 Allowed 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.34 1.056 . . . . 99.99 111.453 173.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . 0.556 ' HB2' ' HZ1' ' E' ' 113' ' ' LYS . 0.1 OUTLIER -123.51 164.3 19.22 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.375 1.07 . . . . 99.99 109.886 -170.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' D' ' 41' ' ' LYS . 79.2 tttt -69.39 154.26 42.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.416 0.687 . . . . 99.99 110.277 174.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 83.06 -47.06 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.859 1.664 . . . . 99.99 110.791 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.82 -43.58 83.19 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 110.65 -0.98 . . . . 99.99 110.65 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . 0.615 ' HA ' ' HZ1' ' E' ' 117' ' ' LYS . 0.0 OUTLIER -131.61 87.14 46.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.277 1.031 . . . . 99.99 108.487 167.3 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -96.37 34.86 0.13 Allowed 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.944 3.096 . . . . 99.99 112.4 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.22 -66.08 0.73 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.057 0.543 . . . . 99.99 110.881 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.557 ' HB3' HD13 ' D' ' 136' ' ' LEU . 33.5 t80 -99.86 -24.5 14.65 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.917 -0.583 . . . . 99.99 110.356 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.73 89.83 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.255 1.026 . . . . 99.99 110.01 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 25.8 m -120.88 151.04 40.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.939 -1.028 . . . . 99.99 108.99 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -75.82 157.71 33.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.168 0.587 . . . . 99.99 110.225 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -161.17 123.5 3.08 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 64.49 -158.83 0.3 Allowed 'General case' 0 CA--C 1.555 1.153 0 O-C-N 124.338 1.024 . . . . 99.99 110.672 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 66.27 72.19 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.911 0.884 . . . . 99.99 111.391 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 55.0 m -139.24 129.45 25.35 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.727 -0.669 . . . . 99.99 110.994 -175.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -165.76 -171.68 2.14 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.74 1.216 . . . . 99.95 109.755 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.4 t -130.93 160.92 33.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.386 0.674 . . . . 99.99 110.497 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.39 152.65 28.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.715 -0.675 . . . . 99.99 110.028 174.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.566 ' NE1' HG21 ' D' ' 122' ' ' THR . 59.9 p-90 -115.33 169.39 9.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.681 0.792 . . . . 99.99 110.487 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 41.5 m -139.03 -42.93 0.47 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.793 0.837 . . . . 99.99 111.468 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 71.4 p 55.8 173.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 126.536 1.934 . . . . 99.99 113.627 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.56 44.04 1.44 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.97 -0.559 . . . . 99.66 112.342 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 129' ' ' ALA . 59.6 t -72.83 93.7 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.233 0.613 . . . . 99.99 109.441 177.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -128.56 32.73 4.78 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.672 0.789 . . . . 99.99 110.222 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 36.7 m -141.59 91.65 2.39 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.371 0.668 . . . . 99.99 109.503 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.477 ' HD1' ' HD2' ' A' ' 130' ' ' PRO . 69.8 t80 -164.54 150.93 10.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.211 0.605 . . . . 99.99 110.815 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -171.15 148.07 2.65 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.092 -1.447 . . . . 99.99 107.092 168.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -168.69 116.82 0.68 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 112.135 -0.386 . . . . 99.99 112.135 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.414 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . . . -116.08 116.0 27.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.744 0.818 . . . . 99.99 110.047 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 68.5 tp -157.38 110.26 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.01 -1.107 . . . . 99.99 108.01 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.99 175.4 47.66 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.524 0.515 . . . . 99.99 114.299 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.44 150.87 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 125.374 1.469 . . . . 99.99 111.839 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.38 160.84 3.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.593 1.157 . . . . 99.99 112.701 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.29 104.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 114.765 -1.107 . . . . 99.99 110.558 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . 0.553 ' H ' HG22 ' C' ' 92' ' ' THR . 38.5 p-80 -140.58 132.6 27.81 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.68 -1.23 . . . . 99.99 107.68 172.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 57.64 78.56 0.23 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.046 0.927 . . . . 99.99 110.767 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . 0.434 ' HE3' ' NE2' ' C' ' 93' ' ' GLN . 10.6 tmtt? -122.21 98.13 5.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.265 -1.754 . . . . 99.99 106.265 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.68 161.9 29.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.412 0.685 . . . . 99.99 109.226 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 64.04 72.69 0.51 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.852 1.261 . . . . 99.99 111.707 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.78 138.63 23.86 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.355 2.037 . . . . 99.99 111.394 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.9 p 52.52 46.7 26.2 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.39 1.476 . . . . 99.99 112.59 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.7 tt -88.81 -29.85 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.419 -0.81 . . . . 99.99 112.853 -174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.544 HD23 HD12 ' E' ' 277' ' ' LEU . 26.9 tp -88.34 -8.85 54.45 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.87 1.063 . . . . 99.99 113.87 -160.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.65 4.11 8.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.509 -0.744 . . . . 99.99 112.408 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.6 mtt 76.21 -61.78 0.44 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.77 1.628 . . . . 99.99 111.339 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -149.19 169.38 20.86 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.659 1.184 . . . . 99.99 108.914 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -70.07 -50.71 38.34 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.416 0.627 . . . . 99.99 109.498 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.05 -14.85 59.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.702 -0.681 . . . . 99.99 110.931 171.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.911 1.684 . . . . 99.99 110.27 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -80.2 35.24 2.17 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.279 0.471 . . . . 99.99 114.279 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 mp -110.74 -72.83 0.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.995 0.918 . . . . 99.99 108.803 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 58.98 98.71 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.794 1.237 . . . . 99.99 110.998 -172.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 6.0 m -82.79 143.96 30.48 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.115 0.566 . . . . 99.99 110.404 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 110.56 146.56 10.93 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 110.77 -0.932 . . . . 99.99 110.77 -172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . 0.547 ' HA ' ' HB3' ' E' ' 171' ' ' ALA . 95.1 m-20 68.73 -67.98 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 125.346 1.458 . . . . 99.99 111.809 -176.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 t -63.07 -22.4 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.695 1.198 . . . . 99.99 111.043 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 19.3 p -87.6 43.07 1.08 Allowed 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.991 0.916 . . . . 99.99 110.61 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 79.7 p 50.06 88.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.201 1.801 . . . . 99.99 112.783 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' E' ' 167' ' ' ASN . . . -69.75 145.61 52.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.359 0.664 . . . . 99.99 110.66 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -141.05 141.06 34.32 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.415 0.686 . . . . 99.99 110.064 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . 0.547 HD23 ' H ' ' E' ' 173' ' ' LEU . 1.2 pt? -90.63 129.32 36.77 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 174.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -82.84 116.77 22.31 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.37 -61.47 1.7 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.372 0.669 . . . . 99.99 110.881 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 73.05 -18.88 0.34 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.249 1.42 . . . . 99.99 113.9 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 30.1 m 56.87 82.68 0.23 Allowed Pre-proline 0 CA--C 1.556 1.211 0 C-N-CA 125.087 1.355 . . . . 99.99 111.192 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.53 -65.79 0.1 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.953 2.435 . . . . 99.99 111.488 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 66.14 -7.54 0.39 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 115.408 1.633 . . . . 99.99 115.408 167.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.92 -161.91 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.387 1.075 . . . . 99.99 111.62 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 97.9 mt -107.33 124.39 49.74 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 171.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.12 107.0 11.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.353 0.661 . . . . 99.99 110.313 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.19 74.85 1.52 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.987 0.915 . . . . 99.99 109.713 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -147.95 -60.14 0.26 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.436 1.094 . . . . 99.99 108.371 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 51.4 t 54.94 80.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 124.973 1.309 . . . . 99.99 111.615 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 7.7 m 69.52 -73.9 0.09 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.561 1.544 . . . . 99.99 112.986 165.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.1 p -84.69 -81.81 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.051 0.54 . . . . 99.99 109.996 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -150.48 -17.76 0.23 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.953 0.501 . . . . 99.99 110.57 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -163.12 -59.02 0.04 OUTLIER 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.702 0.801 . . . . 99.99 109.767 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 94.3 m 73.85 -38.19 0.39 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.914 1.686 . . . . 99.99 112.84 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -61.92 94.59 0.05 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.618 0.767 . . . . 99.99 110.176 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -178.42 93.07 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 99.99 110.472 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.59 -24.22 74.32 Favored 'Trans proline' 0 C--N 1.382 2.313 0 C-N-CA 123.407 2.738 . . . . 99.99 113.096 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 21.2 m 76.76 -56.95 0.54 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.771 1.628 . . . . 99.99 112.784 171.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -73.21 -96.06 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 118.484 -0.769 . . . . 99.99 109.929 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 20.4 p 38.0 63.69 0.78 Allowed 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.637 1.175 . . . . 99.99 111.718 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 197' ' ' SER . . . . . 0.53 ' HG ' HG21 ' E' ' 224' ' ' VAL . 38.9 m -60.22 -35.31 75.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.259 -0.882 . . . . 99.99 112.572 -167.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 12.3 pt-20 39.79 -71.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 127.486 2.314 . . . . 99.99 115.548 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.481 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 57.7 tptt -70.19 -37.85 75.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.226 1.011 . . . . 99.99 111.335 -177.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.82 -47.81 80.48 Favored Pre-proline 0 CA--C 1.566 1.567 0 N-CA-C 113.604 0.965 . . . . 99.99 113.604 -172.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.96 85.42 1.77 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 121.982 1.788 . . . . 99.99 110.735 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -146.82 -59.1 0.02 OUTLIER Glycine 0 C--N 1.342 0.889 0 N-CA-C 110.864 -0.894 . . . . 99.99 110.864 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 64.26 -173.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.979 1.311 . . . . 99.99 111.179 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -67.88 101.13 1.04 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.418 0.687 . . . . 99.99 110.501 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.43 119.41 12.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.382 0.673 . . . . 99.99 110.578 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 66.36 109.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.843 1.257 . . . . 99.99 112.86 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -149.62 171.23 16.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.013 1.325 . . . . 99.99 107.74 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -58.81 84.77 0.01 OUTLIER Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.026 0.346 . . . . 99.99 112.652 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -84.16 65.84 4.02 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.217 -0.753 . . . . 99.99 111.217 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -99.96 164.61 11.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 99.99 109.404 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.2 -165.74 20.53 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 111.036 -0.826 . . . . 99.99 111.036 166.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.3 m 68.39 4.44 4.24 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.323 1.049 . . . . 99.99 112.712 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.4 mt -93.57 -26.28 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.098 0.959 . . . . 99.99 110.035 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 26.1 m 78.27 -48.05 0.46 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.235 1.814 . . . . 99.99 111.74 -175.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.75 -11.55 59.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.562 1.145 . . . . 99.99 113.135 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -63.79 -15.43 58.71 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.195 0.598 . . . . 99.99 112.253 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 78.2 mt -72.21 -2.58 19.35 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.38 0.672 . . . . 99.99 112.475 176.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.45 94.7 0.09 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.275 0.63 . . . . 99.99 109.707 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.425 ' HA ' HH11 ' E' ' 221' ' ' ARG . 6.7 p30 -92.2 15.24 14.03 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.263 -0.881 . . . . 99.99 111.203 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -99.3 116.38 31.34 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.564 0.745 . . . . 99.99 109.993 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.425 HH11 ' HA ' ' E' ' 219' ' ' ASN . 0.0 OUTLIER -140.53 -69.33 0.4 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.768 0.827 . . . . 99.99 109.826 175.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -100.01 -8.34 23.97 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.863 0.865 . . . . 99.99 112.537 -170.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.57 92.96 0.87 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 99.99 110.254 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.53 HG21 ' HG ' ' E' ' 197' ' ' SER . 11.2 p -136.21 167.87 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 123.977 0.911 . . . . 99.99 109.501 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 42.5 m -49.27 116.81 1.85 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.784 1.233 . . . . 99.99 111.278 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.93 150.55 32.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.911 0.884 . . . . 99.99 111.458 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -89.82 6.66 82.78 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.232 -0.44 . . . . 99.99 113.268 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -85.34 56.56 4.95 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.887 0.343 . . . . 99.99 113.184 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 62.35 46.93 92.86 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 123.304 0.478 . . . . 99.99 112.983 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -73.26 -15.64 61.42 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.882 0.697 . . . . 99.99 112.882 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -134.29 -72.75 0.48 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.73 -0.841 . . . . 99.99 108.73 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.0 m -87.66 175.65 7.79 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 109.009 -0.738 . . . . 99.99 109.009 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 76.97 -71.74 0.11 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.497 1.519 . . . . 99.99 111.063 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.35 158.22 0.13 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.233 1.413 . . . . 99.99 111.146 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 66.73 -73.74 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.83 1.252 . . . . 99.99 110.344 -172.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 9.0 t -159.69 169.68 23.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.975 1.31 . . . . 99.99 109.202 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -110.42 86.65 2.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.03 0.932 . . . . 99.99 108.611 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 71.5 m -140.9 -63.26 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.382 0.673 . . . . 99.99 110.197 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -151.1 110.93 4.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.289 0.636 . . . . 99.99 109.362 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -61.39 -25.88 65.54 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 123.655 0.597 . . . . 99.99 113.445 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -153.72 162.07 41.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.919 0.887 . . . . 99.99 108.976 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 36.2 p90 -129.35 161.73 29.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 99.99 109.639 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . 0.456 ' HB3' HD23 ' E' ' 247' ' ' LEU . 75.6 mt-30 64.4 -149.7 0.28 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.974 0.91 . . . . 99.99 111.651 176.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 132.96 -130.18 5.69 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 111.408 -0.677 . . . . 99.99 111.408 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -84.69 7.35 20.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.293 0.637 . . . . 99.99 110.672 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' E' ' 251' ' ' ALA . 5.2 m -77.51 0.94 20.95 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 125.559 1.544 . . . . 99.99 111.753 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' E' ' 243' ' ' GLN . 4.4 mm? -90.92 -17.39 26.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 117.857 -1.068 . . . . 99.99 113.737 -173.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -52.3 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -155.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.02 -69.11 0.85 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.95 1.705 . . . . 99.99 111.495 146.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -86.5 -79.54 0.26 Allowed 'General case' 0 C--N 1.372 1.544 0 N-CA-C 109.733 -0.469 . . . . 99.99 109.733 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' E' ' 246' ' ' THR . . . -109.65 -77.95 0.59 Allowed 'General case' 0 C--N 1.362 1.121 0 CA-C-N 118.917 0.78 . . . . 99.99 110.71 152.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -102.19 -32.8 9.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.812 1.245 . . . . 99.99 112.135 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -42.56 -37.19 1.58 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.056 1.873 . . . . 99.99 116.056 -151.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -77.19 129.2 35.64 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.837 0.351 . . . . 99.99 111.529 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -79.28 98.63 1.64 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.544 -1.822 . . . . 99.99 108.544 163.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -52.03 120.11 5.04 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.209 1.004 . . . . 99.99 111.26 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 65.13 12.74 8.22 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.485 1.114 . . . . 99.99 112.264 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.16 89.5 5.44 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 106.853 -1.536 . . . . 99.99 106.853 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.72 -27.06 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.928 -1.033 . . . . 99.99 111.35 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 33.7 m 75.38 -56.29 0.61 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.508 1.523 . . . . 99.99 111.125 -175.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.69 53.81 2.83 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.499 0.719 . . . . 99.99 110.744 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.86 61.43 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.792 0.837 . . . . 99.99 109.597 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.8 -16.72 53.02 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.311 1.044 . . . . 99.99 111.816 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 46.3 m 66.09 35.32 6.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.029 1.331 . . . . 99.99 111.345 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 58.8 tp 70.77 -72.33 0.11 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.288 1.435 . . . . 99.99 112.719 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 75.85 -42.44 0.46 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.938 1.695 . . . . 99.99 113.072 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 38.7 p -77.3 81.25 3.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.436 0.695 . . . . 99.99 110.698 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 2.8 p -166.35 96.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.47 1.108 . . . . 99.99 108.783 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 269' ' ' THR . . . . . 0.572 HG23 ' HG3' ' E' ' 432' ' ' GLN . 30.7 p 46.48 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.164 1.386 . . . . 99.99 112.995 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.84 114.95 1.29 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.232 0.613 . . . . 99.99 110.852 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.26 61.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.624 1.17 . . . . 99.99 112.769 -172.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.76 -29.95 62.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 99.99 111.271 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -89.12 -53.59 4.5 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.736 0.815 . . . . 99.99 110.599 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.08 -39.42 10.61 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.806 0.669 . . . . 99.99 112.806 -167.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.402 ' HZ3' ' HB3' ' C' ' 53' ' ' ASP . 53.7 tttm -95.65 125.75 48.04 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 112.198 0.444 . . . . 99.99 112.198 -159.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -96.58 -178.6 0.4 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.699 2.933 . . . . 99.99 113.118 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.583 HD11 ' H ' ' E' ' 278' ' ' LEU . 0.2 OUTLIER -164.97 165.94 19.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.734 0.813 . . . . 99.99 109.853 177.246 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.583 ' H ' HD11 ' E' ' 277' ' ' LEU . 1.9 tt -118.76 142.44 47.69 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.917 1.287 . . . . 99.99 109.58 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . 0.411 ' N ' HD21 ' E' ' 278' ' ' LEU . . . -152.86 71.6 0.28 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 123.538 0.524 . . . . 99.99 111.929 173.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -169.22 94.08 0.3 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.326 0.65 . . . . 99.99 110.116 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.71 ' HB2' HD21 ' C' ' 98' ' ' LEU . 42.9 t80 -174.63 64.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.937 0.895 . . . . 99.99 108.927 171.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -168.84 -170.91 1.25 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.539 -0.755 . . . . 99.99 110.384 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.96 13.34 7.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.687 1.195 . . . . 99.99 112.018 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 124.73 177.84 15.1 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 116.187 -0.46 . . . . 99.99 112.303 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' C' ' 45' ' ' ASP . 7.2 t30 -149.88 154.57 38.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.439 0.695 . . . . 99.99 110.339 -176.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.404 ' HB2' HD13 ' C' ' 136' ' ' LEU . 2.7 mpp? -58.28 118.88 30.78 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.673 1.189 . . . . 99.99 110.295 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . 0.567 ' HD2' ' HD1' ' C' ' 140' ' ' TYR . 18.3 Cg_endo -57.8 107.23 0.29 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.676 2.251 . . . . 99.99 111.327 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.498 ' HA ' HD11 ' C' ' 136' ' ' LEU . 60.7 t -63.98 97.04 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.065 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.488 ' HB2' ' HB3' ' C' ' 145' ' ' ALA . 3.6 ppt_? -65.27 111.2 2.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.252 -0.886 . . . . 99.99 108.723 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 -87.96 153.66 21.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.18 -0.918 . . . . 99.99 110.748 -174.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 160.91 -150.33 20.11 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -59.45 135.15 62.98 Favored 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 123.511 2.808 . . . . 99.99 112.912 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -155.13 83.41 1.07 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.244 0.618 . . . . 99.99 110.371 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 44.02 33.51 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.484 1.513 . . . . 99.99 114.752 165.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 7.5 m -69.5 -21.55 63.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.971 0.909 . . . . 99.99 112.295 -168.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.503 ' HH ' ' HA ' ' C' ' 32' ' ' PHE . 2.0 t80 -141.98 31.28 1.6 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.322 0.582 . . . . 99.99 109.494 174.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -92.08 75.77 5.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.142 -1.059 . . . . 99.99 108.142 173.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.12 27.02 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.013 -0.539 . . . . 99.99 113.369 -172.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -95.31 -30.42 13.96 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.845 0.858 . . . . 99.99 110.936 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 41.6 mt 73.51 130.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 125.021 1.329 . . . . 99.99 111.813 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.44 107.85 2.18 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 122.735 0.414 . . . . 99.99 110.051 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.532 ' HD3' ' HB2' ' E' ' 3' ' ' GLN . 0.0 OUTLIER -145.75 107.56 4.34 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.359 -0.608 . . . . 99.99 109.359 163.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.514 ' HB3' ' HB1' ' B' ' 129' ' ' ALA . 64.7 Cg_endo -80.02 -166.76 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 122.798 2.332 . . . . 99.99 111.905 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.553 ' HB3' ' HD3' ' E' ' 62' ' ' LYS . . . -149.57 80.03 1.39 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 106.85 -1.537 . . . . 99.99 106.85 170.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.465 HG13 ' H ' ' B' ' 132' ' ' ASN . 14.9 m -141.4 123.99 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.059 0.944 . . . . 99.99 110.228 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 67.1 m -135.87 145.59 46.53 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.226 -1.027 . . . . 99.99 108.226 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' E' ' 65' ' ' LYS . 17.1 p -69.41 115.21 8.41 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 34.1 m -84.31 106.87 9.11 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.766 0.826 . . . . 99.99 109.849 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -88.85 139.73 3.92 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 123.126 2.551 . . . . 99.99 112.582 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.85 71.96 9.58 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 115.33 -0.85 . . . . 99.99 109.497 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -92.65 129.38 0.87 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.953 2.435 . . . . 99.99 112.111 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.571 ' H ' HG21 ' E' ' 318' ' ' VAL . 1.6 tm0? -71.86 -46.02 59.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 175.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -117.03 -98.94 0.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' E' ' 77' ' ' ASP . 16.6 m120 -142.8 13.2 1.89 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.993 0.917 . . . . 99.99 109.376 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -158.45 -152.98 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.967 0.907 . . . . 99.99 109.746 -162.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 16.0 m -56.92 116.78 3.39 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.615 1.166 . . . . 99.99 111.801 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . 0.571 HG21 ' H ' ' E' ' 313' ' ' GLN . 99.6 t -75.26 133.32 75.0 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 173.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.62 89.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.769 2.313 . . . . 99.99 112.205 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 88.2 m -97.3 119.63 36.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.937 -1.029 . . . . 99.99 108.762 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.57 -85.33 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.999 -0.741 . . . . 99.99 108.999 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 44.66 42.11 5.51 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.17 0.988 . . . . 99.99 111.199 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.436 ' HB2' HG12 ' E' ' 329' ' ' ILE . 18.9 pt20 -103.05 -34.4 8.91 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.658 -1.155 . . . . 99.99 110.078 -171.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 63.4 mtt -88.75 22.23 2.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.171 0.988 . . . . 99.99 110.239 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.2 t -77.58 73.5 4.14 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.024 0.916 . . . . 99.99 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 11.3 t70 72.52 -27.17 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.264 1.426 . . . . 99.99 113.433 170.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.728 ' HG3' HD11 ' E' ' 331' ' ' LEU . 14.2 ttmm -166.49 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 115.109 1.522 . . . . 99.99 115.109 -156.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -40.33 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.744 1.217 . . . . 99.99 114.163 -160.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' E' ' 323' ' ' GLN . 2.9 pp -86.96 -21.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.244 0.218 . . . . 99.99 110.84 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.06 -51.68 55.88 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 99.99 112.136 -165.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.728 HD11 ' HG3' ' E' ' 327' ' ' LYS . 82.8 mt -88.86 1.31 55.54 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.04 0.536 . . . . 99.99 111.719 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 1.1 pt? 33.69 -69.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 127.868 2.467 . . . . 99.99 116.448 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 24.1 m -59.46 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.391 1.076 . . . . 99.99 112.389 -174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.557 ' HZ2' ' HB3' ' E' ' 334' ' ' LYS . 0.1 OUTLIER 164.06 -164.38 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.058 2.143 . . . . 99.99 107.755 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -117.85 174.29 6.27 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.196 0.598 . . . . 99.99 109.912 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . 0.448 ' HG2' ' HG3' ' B' ' 90' ' ' GLU . 0.0 OUTLIER -59.75 -25.57 64.97 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.706 1.202 . . . . 99.99 112.178 178.353 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.439 ' HB3' ' HZ3' ' E' ' 337' ' ' LYS . 4.4 ttpm? -84.16 62.76 7.29 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.743 0.783 . . . . 99.99 109.108 173.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -90.33 45.85 2.99 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.579 -0.737 . . . . 99.99 111.361 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -98.14 124.12 42.52 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 108.511 -0.922 . . . . 99.99 108.511 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -61.26 -27.33 68.38 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.657 0.598 . . . . 99.99 111.073 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.5 pp 53.45 9.04 0.15 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 127.082 2.153 . . . . 99.99 114.757 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -88.32 68.14 8.86 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 107.668 -1.234 . . . . 99.99 107.668 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 32.2 m -106.18 143.95 16.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 114.925 -1.034 . . . . 99.99 109.725 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.46 145.39 55.04 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 108.326 -0.99 . . . . 99.99 108.326 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.54 -57.22 18.95 Favored Glycine 0 C--N 1.347 1.158 0 O-C-N 123.355 0.409 . . . . 99.99 112.41 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 178.2 -76.96 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.659 1.184 . . . . 99.99 109.463 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 69.9 m 52.25 24.69 2.95 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.663 1.185 . . . . 99.99 112.806 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.88 156.51 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.37 0.605 . . . . 99.99 111.734 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -108.08 154.05 22.25 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.622 1.169 . . . . 99.99 108.965 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.27 -50.98 68.12 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.098 0.874 . . . . 99.99 109.422 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 61.54 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.292 1.437 . . . . 99.99 113.176 167.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.18 -35.5 8.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.85 1.26 . . . . 99.99 110.044 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' E' ' 26' ' ' MET . 50.3 m170 -82.7 -2.36 53.92 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.896 0.879 . . . . 99.99 112.518 -174.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -63.17 97.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.231 0.613 . . . . 99.99 110.133 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.01 40.26 18.97 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.32 1.048 . . . . 99.99 112.037 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -66.25 -48.0 59.26 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-O 118.333 -0.841 . . . . 99.99 112.51 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.56 85.31 0.59 Allowed 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 121.893 1.729 . . . . 99.99 111.636 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.5 -56.37 4.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.121 0.969 . . . . 99.99 110.987 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 89.12 74.54 1.29 Allowed Glycine 0 C--N 1.347 1.176 0 CA-C-N 116.152 -0.476 . . . . 99.99 112.032 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 69.72 -73.42 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.883 1.673 . . . . 99.99 111.85 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.89 5.69 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.146 0.978 . . . . 99.99 110.742 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -57.12 113.03 4.03 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 123.788 0.68 . . . . 99.99 112.483 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.52 -41.31 80.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.403 1.081 . . . . 99.99 110.94 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 80.1 p 47.53 70.3 0.43 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.439 1.496 . . . . 99.99 112.55 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.69 165.93 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.406 -0.815 . . . . 99.99 110.4 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.93 152.66 35.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.221 0.608 . . . . 99.99 111.373 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.84 -36.41 69.97 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.824 1.25 . . . . 99.99 113.019 -164.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 9.7 p-10 -61.0 -53.43 57.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.499 0.499 . . . . 99.99 110.107 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' E' ' 373' ' ' ARG . 43.1 tt0 -71.89 -33.84 68.66 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.508 0.723 . . . . 99.99 110.834 -176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.07 87.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.625 0.77 . . . . 99.99 110.614 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.66 -37.96 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.097 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 73.6 mt-30 -61.45 -58.89 6.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.116 0.566 . . . . 99.99 111.453 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' E' ' 369' ' ' GLU . 12.2 ptp180 -67.3 -40.32 86.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.338 0.655 . . . . 99.99 111.389 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' E' ' 378' ' ' ALA . . . -81.31 -14.87 56.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.964 0.905 . . . . 99.99 112.391 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -39.24 -58.65 1.15 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.372 1.869 . . . . 99.99 115.493 -159.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -77.6 0.28 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 118.466 -0.778 . . . . 99.99 112.34 -159.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -95.01 -88.92 0.24 Allowed 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.179 1.354 . . . . 99.99 110.735 171.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' E' ' 374' ' ' ALA . . . -106.06 -61.83 1.46 Allowed 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.2 1.4 . . . . 99.99 112.037 161.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.24 -38.4 14.26 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 113.42 -1.718 . . . . 99.99 114.991 -155.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.67 157.31 19.86 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.196 0.522 . . . . 99.99 111.57 -169.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.99 143.76 28.73 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.497 -1.229 . . . . 99.99 110.572 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -80.79 -77.74 0.97 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.233 -1.147 . . . . 99.99 110.233 170.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -164.98 81.87 0.36 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.547 1.139 . . . . 99.99 108.76 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 86.2 m -140.55 91.39 2.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.55 -0.75 . . . . 99.99 110.392 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.3 -78.83 0.44 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 106.918 -1.512 . . . . 99.99 106.918 167.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 23.3 m -127.18 137.28 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.761 1.224 . . . . 99.99 107.717 168.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 38.6 pt -88.19 103.64 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.28 0.562 . . . . 99.99 109.623 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.19 112.01 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-O 121.572 0.701 . . . . 99.99 109.413 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.3 t -142.85 123.01 13.71 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.847 -0.615 . . . . 99.99 111.585 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.46 91.93 5.41 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 167.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -123.76 144.57 49.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.576 0.751 . . . . 99.99 111.605 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 54.6 m80 65.96 167.09 0.2 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.317 1.447 . . . . 99.99 111.958 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -84.13 150.64 25.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.086 0.554 . . . . 99.99 111.434 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.64 -16.58 34.04 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.718 0.807 . . . . 99.99 112.25 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -136.2 -46.3 0.63 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.26 1.024 . . . . 99.99 109.632 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 40.3 t -75.81 82.68 2.75 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.391 -0.822 . . . . 99.99 110.382 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -67.28 131.65 46.16 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.398 -0.819 . . . . 99.99 109.276 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 5.0 tp -65.72 94.41 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 122.084 0.945 . . . . 99.99 110.628 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.39 -44.6 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 114.451 -1.25 . . . . 99.99 109.449 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 58.11 97.71 0.04 OUTLIER Pre-proline 0 C--N 1.36 1.063 0 C-N-CA 125.393 1.477 . . . . 99.99 111.254 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.5 129.18 31.33 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.329 2.02 . . . . 99.99 111.665 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.5 -43.57 98.63 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.989 0.916 . . . . 99.99 110.938 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.7 m 63.2 85.02 0.14 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.855 1.262 . . . . 99.99 111.02 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -152.93 112.83 3.93 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 -177.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -103.92 128.66 26.77 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.425 0.69 . . . . 99.99 110.853 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.26 158.32 57.53 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.524 2.149 . . . . 99.99 111.843 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 162.73 -138.36 5.31 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.789 -0.925 . . . . 99.99 110.789 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 69.15 -69.97 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.497 1.519 . . . . 99.99 111.24 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.6 t -58.61 137.78 57.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.018 0.927 . . . . 99.99 112.047 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -165.43 -42.93 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.907 1.283 . . . . 99.99 107.625 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -112.65 144.92 41.34 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.275 -1.38 . . . . 99.99 107.275 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.43 -32.28 73.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.977 0.511 . . . . 99.99 111.22 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 78.42 -42.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.143 1.777 . . . . 99.99 111.362 174.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 64.8 p -53.13 134.48 38.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.172 1.389 . . . . 99.99 111.826 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.01 151.23 22.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.306 0.642 . . . . 99.99 110.539 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -59.58 -14.2 12.35 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.495 1.118 . . . . 99.99 113.244 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.35 24.51 5.9 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 111.479 -0.648 . . . . 99.99 111.479 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . 0.417 ' O ' HG13 ' E' ' 421' ' ' VAL . . . 82.23 -42.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.735 1.614 . . . . 99.99 112.188 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p 51.69 23.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 126.616 1.966 . . . . 99.99 113.197 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.6 mtm 64.81 23.0 12.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.374 1.07 . . . . 99.99 112.372 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . 0.417 HG13 ' O ' ' E' ' 418' ' ' ALA . 9.8 p -97.61 25.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.501 0.667 . . . . 99.99 110.506 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 44.9 ttm 75.5 4.54 4.03 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.436 1.494 . . . . 99.99 111.897 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.3 t -80.76 77.54 7.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.46 0.648 . . . . 99.99 109.566 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -71.23 -23.26 61.97 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.031 0.932 . . . . 99.99 111.069 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 116.8 -157.56 14.98 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.53 -0.759 . . . . 99.99 111.994 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.57 156.1 11.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.831 1.252 . . . . 99.99 107.828 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 20.3 p -71.44 -63.64 1.08 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.352 -0.61 . . . . 99.99 109.352 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 69.46 -10.75 0.54 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.101 1.361 . . . . 99.99 113.138 173.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -90.62 6.42 43.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.167 0.987 . . . . 99.99 110.069 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.61 -27.29 48.64 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.307 1.443 . . . . 99.99 113.911 -170.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 64.5 m -61.55 -26.9 68.24 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.099 0.56 . . . . 99.99 111.771 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.572 ' HG3' HG23 ' E' ' 269' ' ' THR . 6.7 tp-100 -73.42 -36.98 66.06 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.138 0.975 . . . . 99.99 111.546 -177.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.28 -39.53 15.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.52 0.328 . . . . 99.99 110.267 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -64.47 -57.69 8.52 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.282 1.033 . . . . 99.99 111.033 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m -144.62 70.73 1.29 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.926 0.869 . . . . 99.99 108.826 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -136.09 -97.72 0.52 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 109.477 -1.449 . . . . 99.99 109.477 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 24.1 t 72.83 -62.69 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.38 1.472 . . . . 99.99 112.455 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 78.13 138.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.997 1.719 . . . . 99.99 110.371 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.9 pp -136.39 176.0 9.1 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.898 0.879 . . . . 99.99 109.751 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.65 126.9 41.24 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.141 -0.689 . . . . 99.99 109.141 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.16 132.47 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 122.94 0.496 . . . . 99.99 109.809 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.83 -74.4 0.08 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.144 1.378 . . . . 99.99 110.602 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . 0.57 ' HA ' ' HG2' ' C' ' 8' ' ' GLU . . . 58.56 78.23 0.26 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.906 1.282 . . . . 99.99 112.347 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' C' ' 5' ' ' ASN . 5.0 p90 -137.24 -59.12 0.7 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.501 0.72 . . . . 99.99 109.703 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.3 -173.04 30.79 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-O 119.982 -0.343 . . . . 99.99 113.418 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.14 130.85 13.51 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 123.275 2.65 . . . . 99.99 112.344 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -85.55 -10.04 56.51 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.467 0.707 . . . . 99.99 111.6 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.25 116.87 7.76 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.574 0.749 . . . . 99.99 111.911 -172.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.9 108.74 0.78 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 99.99 109.369 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -175.66 154.0 1.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.94 0.896 . . . . 99.99 109.239 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.3 150.66 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.475 HG23 HD13 ' A' ' 86' ' ' ILE . 34.3 m -85.56 169.93 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 124.514 1.126 . . . . 99.99 112.279 -174.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.58 169.55 41.72 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.521 -0.763 . . . . 99.99 113.028 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 tp -142.4 153.07 43.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.288 1.035 . . . . 99.99 109.463 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 455' ' ' THR . . . . . 0.416 HG22 ' N ' ' E' ' 456' ' ' ASP . 9.0 t -160.35 -59.04 0.06 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.768 0.427 . . . . 99.99 111.072 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . 0.416 ' N ' HG22 ' E' ' 455' ' ' THR . 8.1 p-10 179.14 -157.99 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.008 1.323 . . . . 99.99 108.747 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 74.52 99.2 0.07 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.753 1.621 . . . . 99.99 110.457 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 32.7 p -112.02 88.34 2.78 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.891 0.877 . . . . 99.99 110.401 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -164.32 153.26 13.34 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.193 1.397 . . . . 99.99 108.554 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.412 HD22 ' HG1' ' A' ' 46' ' ' THR . 15.4 tp -132.41 144.36 50.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.958 0.885 . . . . 99.99 110.06 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.454 ' H ' ' HD1' ' E' ' 461' ' ' PHE . 2.8 p90 -76.0 -173.82 2.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.948 1.699 . . . . 99.99 112.555 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.428 ' HD1' ' HG1' ' E' ' 463' ' ' THR . 1.3 p90 -167.11 -164.01 0.58 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.948 1.699 . . . . 99.99 108.516 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 463' ' ' THR . . . . . 0.428 ' HG1' ' HD1' ' E' ' 462' ' ' TYR . 28.1 m 74.18 116.34 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.321 1.448 . . . . 99.99 111.781 176.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' E' ' 464' ' ' MET . 1.1 pmm? -128.12 175.14 8.65 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.798 1.239 . . . . 99.99 108.593 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -68.15 -57.81 5.46 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.878 0.471 . . . . 99.99 111.163 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -103.76 122.27 44.73 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -64.05 156.64 27.56 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.86 0.725 . . . . 99.99 110.22 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.573 HD13 HG23 ' A' ' 40' ' ' VAL . 3.4 tm? -55.09 -40.98 71.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.832 0.708 . . . . 99.99 110.192 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 66.0 92.55 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 O-C-N 123.851 0.719 . . . . 99.99 113.3 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.495 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.31 95.23 2.13 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 -176.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 107.202 -1.407 . . . . 99.99 107.202 174.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.801 0.334 . . . . 99.99 111.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -161.1 120.16 2.54 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.649 -1.241 . . . . 99.99 107.649 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.15 -47.85 59.91 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.691 0.758 . . . . 99.99 110.215 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -163.82 -56.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 105.968 -1.864 . . . . 99.99 105.968 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -145.2 176.73 9.32 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.653 1.581 . . . . 99.99 108.045 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -83.02 139.91 33.01 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.678 -0.86 . . . . 99.99 108.678 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.3 p -80.6 75.41 7.48 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.843 0.857 . . . . 99.99 111.088 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -74.58 -55.69 5.64 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.654 -0.869 . . . . 99.99 108.654 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -134.46 136.18 43.01 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 106.837 -1.542 . . . . 99.99 106.837 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -159.59 145.24 15.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.722 0.773 . . . . 99.99 112.763 -170.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' CE1' ' HE2' ' A' ' 101' ' ' TYR . 26.6 t80 -135.05 118.36 16.69 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 160.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -140.37 113.56 8.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.946 0.498 . . . . 99.99 109.905 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.823 -168.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 34.4 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 17.02 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 50.99 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 18.45 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 13.15 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 6.92 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 22.19 108.613 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 43.73 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 63.88 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 73.6 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD21 ' SD ' ' E' ' 464' ' ' MET . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 99.99 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 50.91 109.395 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 67.81 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.415 ' HB3' ' HB ' ' E' ' 452' ' ' VAL . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 99.99 110.329 -173.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 81.17 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.23 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 75.11 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 32.98 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 27.21 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 HD22 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 28.74 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 35.81 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 19.33 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 29.68 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 25.47 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 80.58 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 99.99 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 40.21 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 30.66 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 59.79 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD22 ' NH1' ' E' ' 440' ' ' ARG . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 30.86 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 20.96 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 21.28 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 80.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m -81.29 91.37 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.483 HD12 HD23 ' A' ' 98' ' ' LEU . 6.8 pt -128.79 118.5 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.92 0.888 . . . . 99.99 110.421 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.01 168.71 1.58 Allowed 'General case' 0 C--O 1.246 0.888 0 C-N-CA 125.729 1.612 . . . . 99.99 108.756 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.84 10.87 85.8 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.78 -0.646 . . . . 99.99 111.574 -168.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 94' ' ' MET . 2.0 pp -134.75 155.59 38.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 C-N-CA 124.455 1.102 . . . . 99.99 110.662 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.51 -176.73 5.51 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.359 1.063 . . . . 99.99 109.956 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.07 -132.37 30.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 119.688 -0.507 . . . . 99.99 112.866 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -63.68 -39.5 94.46 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.14 0.576 . . . . 99.99 111.321 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -50.43 -63.67 1.05 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.69 1.196 . . . . 99.99 110.869 -170.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 95' ' ' ALA . 3.9 ppp? -65.9 -42.86 89.67 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 124.072 0.858 . . . . 99.99 110.589 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' N ' ' SD ' ' A' ' 94' ' ' MET . . . -55.04 -42.36 72.55 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.801 0.841 . . . . 99.99 112.747 -171.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -86.23 -31.18 21.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.498 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.37 -64.83 0.8 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.755 0.422 . . . . 99.99 111.012 -174.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD23 HD12 ' A' ' 86' ' ' ILE . 1.6 pp -77.97 -17.28 57.35 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 99.99 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.469 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 99.99 110.909 -177.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 79.06 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 59.39 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 99.99 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 134' ' ' ASP . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 83.34 110.191 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 42.55 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 17.98 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 13.2 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.42 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 36.0 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 15.85 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.506 ' NH1' HD13 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 19.0 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 5.43 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 18.83 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 22.63 111.308 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 6.65 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 88.83 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 51.92 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 39.96 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.461 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 11.33 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.503 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 32.89 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 19.39 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.83 ' HB3' ' HA ' ' E' ' 132' ' ' SER . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 30.18 114.68 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 127' ' ' ASN . 47.5 tp60 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 90.79 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.405 HD22 HE21 ' A' ' 125' ' ' GLN . 16.7 m120 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 93.81 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 77.99 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.491 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 85.02 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.56 114.86 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -109.43 93.67 4.63 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.77 0.828 . . . . 99.99 110.93 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.21 -36.86 85.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.262 0.225 . . . . 99.99 110.42 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.579 ' H ' HD13 ' A' ' 105' ' ' ILE . 4.6 p-10 -60.48 -44.79 95.54 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.669 0.606 . . . . 99.99 111.036 -171.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.95 78.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.828 0.705 . . . . 99.99 111.423 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' E' ' 142' ' ' LEU . 9.5 tt -65.9 -38.57 89.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.96 0.904 . . . . 99.99 111.019 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -89.86 -26.75 20.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.472 0.309 . . . . 99.99 111.336 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.446 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 4.1 tpt -56.6 -44.14 80.82 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.164 0.986 . . . . 99.99 111.276 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 143' ' ' GLN . 7.3 p30 -60.23 -39.58 87.16 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.078 0.861 . . . . 99.99 111.766 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -68.84 -45.97 69.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.108 0.563 . . . . 99.99 110.452 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.2 tp -62.19 -49.6 75.15 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.88 -1.055 . . . . 99.99 111.101 -166.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 175.03 -18.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 124.544 1.152 . . . . 99.99 111.694 172.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 139' ' ' ASN . 20.5 pt20 47.35 17.46 0.08 Allowed 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 126.692 1.997 . . . . 99.99 116.136 177.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -83.02 70.34 10.0 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.786 0.803 . . . . 99.99 110.796 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 60.38 24.55 14.07 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.273 1.029 . . . . 99.99 111.184 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.427 ' HA2' ' SD ' ' A' ' 138' ' ' MET . . . 105.07 -126.71 8.77 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.889 -0.884 . . . . 99.99 110.889 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -16.22 0.28 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.843 0.857 . . . . 99.99 111.955 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.25 -30.79 18.63 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.951 -0.361 . . . . 99.99 113.145 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m 71.56 -70.15 0.17 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.112 1.765 . . . . 99.99 112.046 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -68.42 135.79 52.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.934 0.894 . . . . 99.99 111.318 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.96 -45.03 2.99 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.18 0.992 . . . . 99.99 110.525 173.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -174.82 -71.35 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.246 0.619 . . . . 99.99 110.632 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.67 -21.5 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.383 0.673 . . . . 99.99 111.927 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.5 t70 67.25 -88.98 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.029 1.732 . . . . 99.99 112.143 174.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 123.426 0.69 . . . . 99.99 109.786 -176.238 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.148 -0.316 . . . . 99.99 110.148 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -85.33 32.67 0.56 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.563 1.145 . . . . 99.99 111.168 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.54 -48.56 64.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.87 128.19 56.39 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 106.135 -1.802 . . . . 99.99 106.135 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.29 86.32 1.96 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.704 0.802 . . . . 99.99 111.041 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 169.08 -34.14 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 128.084 2.554 . . . . 99.99 107.138 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.432 HG21 ' HB3' ' E' ' 174' ' ' GLN . 24.4 p 76.89 -44.0 0.46 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.366 2.266 . . . . 99.99 112.864 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.12 30.3 20.05 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.306 1.042 . . . . 99.99 109.025 -172.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.563 ' HE1' HG21 ' B' ' 86' ' ' ILE . 15.3 ptm 57.02 -177.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.344 1.858 . . . . 99.99 112.671 -172.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.74 112.07 10.46 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.977 -1.49 . . . . 99.99 106.977 172.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 -147.3 141.94 26.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.909 0.484 . . . . 99.99 111.833 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.454 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 61.13 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 99.99 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 99.99 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 22.84 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 25.35 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.503 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 18.25 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 41.37 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.427 ' CD1' ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 15.07 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 29.37 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 11.41 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 74' ' ' PHE . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 27.88 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 51.27 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.469 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.444 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.575 ' HZ2' ' HB3' ' B' ' 71' ' ' GLU . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 99.99 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.609 ' HG2' ' HB2' ' E' ' 86' ' ' TYR . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 99.89 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.572 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.519 HD13 ' N ' ' E' ' 7' ' ' ALA . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 99.99 112.024 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' E' ' 8' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 99.99 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.6 HG21 ' HA ' ' E' ' 15' ' ' PHE . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 89.58 110.511 -173.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 50.34 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 99.99 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 44.59 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 98.19 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.562 HD12 HG22 ' B' ' 83' ' ' ILE . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 93.17 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 98.7 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 99.99 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 85.08 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 32.75 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.499 HD22 HD21 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 89.85 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 99.99 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 30.69 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 50.25 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 27.1 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 27.69 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 28.91 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 82.69 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 84.99 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 91.81 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.575 ' HB3' ' HZ2' ' B' ' 34' ' ' LYS . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 39.53 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.564 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 37.29 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 21.12 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 29.86 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 13.61 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 13.23 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 36.68 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 12.8 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.562 HG22 HD12 ' B' ' 51' ' ' LEU . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 51.05 106.251 168.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.454 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 99.99 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 99.23 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.678 ' HB ' HG13 ' E' ' 18' ' ' VAL . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 99.99 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.594 ' SD ' ' HB1' ' E' ' 21' ' ' ALA . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.404 ' CD2' ' HB2' ' B' ' 134' ' ' ASP . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.601 HD11 ' HA ' ' E' ' 17' ' ' PRO . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 99.37 112.487 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 67.76 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' B' ' 134' ' ' ASP . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 81.59 112.676 -166.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.502 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.428 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 55.65 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 48.03 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 99.99 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 59.06 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 27.15 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 18.14 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 25.24 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 18.19 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.583 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 76.84 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.461 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 28.75 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.513 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 30.1 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 17.12 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.81 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 50.71 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 23.64 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.51 ' HG ' ' NE2' ' C' ' 125' ' ' GLN . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 49.99 111.769 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 33.79 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 28.26 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 39.05 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.495 ' HB3' HG23 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 99.99 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.583 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 99.99 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 64.44 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 75.43 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' E' ' 4' ' ' SER . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.99 110.852 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -111.82 97.83 6.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.408 ' CD1' ' HB3' ' E' ' 8' ' ' LEU . 24.9 p90 -89.12 -5.13 58.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.932 0.493 . . . . 99.99 110.662 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' B' ' 100' ' ' ALA . 7.7 p-10 -60.46 -41.01 93.23 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.387 0.275 . . . . 99.99 110.436 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.53 ' HA ' ' HE2' ' B' ' 138' ' ' MET . . . -67.63 -30.7 70.33 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.474 1.109 . . . . 99.99 111.831 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.77 -55.74 30.4 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.843 0.857 . . . . 99.99 110.145 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -75.58 -32.29 60.31 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.699 -0.682 . . . . 99.99 111.16 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.53 ' HE2' ' HA ' ' B' ' 135' ' ' ALA . 58.4 ttp -63.78 -38.19 90.17 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.342 0.657 . . . . 99.99 111.554 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -76.03 -37.26 58.58 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.08 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . 0.467 ' HB3' HG21 ' E' ' 28' ' ' VAL . 8.1 m-30 -67.72 -33.19 74.39 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.484 -1.234 . . . . 99.99 111.26 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -78.04 -7.65 57.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.746 0.419 . . . . 99.99 111.762 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -97.41 74.77 2.48 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.139 0.971 . . . . 99.99 109.221 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -115.26 4.41 14.47 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 113.831 -1.532 . . . . 99.99 108.458 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.54 -35.38 80.69 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.987 0.915 . . . . 99.99 111.798 -170.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.61 93.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.541 1.136 . . . . 99.99 111.597 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 147.38 -20.6 1.53 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 111.071 -0.812 . . . . 99.99 111.071 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . 0.4 ' HB2' ' H ' ' B' ' 148' ' ' GLY . 10.8 mm-40 -86.02 -89.64 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . 0.4 ' H ' ' HB2' ' B' ' 147' ' ' GLU . . . 55.88 29.6 55.37 Favored Glycine 0 C--N 1.362 2.013 0 N-CA-C 115.124 0.81 . . . . 99.99 115.124 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.7 t -76.32 75.98 3.1 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.021 0.915 . . . . 99.99 109.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 55.48 53.43 9.79 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.074 -1.421 . . . . 99.99 110.138 -169.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.4 45.51 2.76 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.255 -1.339 . . . . 99.99 109.762 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 t60 77.68 -45.96 0.45 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.49 1.516 . . . . 99.99 112.471 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -60.42 -29.89 69.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.658 1.183 . . . . 99.99 113.195 -171.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -121.37 -53.77 2.0 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.904 0.882 . . . . 99.99 109.229 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 C-N-CA 124.099 0.959 . . . . 99.99 108.76 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.318 0.104 . . . . 99.99 110.81 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.424 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 21.5 t -160.16 161.07 33.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.838 0.855 . . . . 99.99 109.203 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' C' ' 8' ' ' GLU . 19.4 mm-40 64.59 -71.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.753 1.621 . . . . 99.99 112.923 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' C' ' 155' ' ' ALA . 8.7 pt20 -55.4 105.89 0.2 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.093 0.957 . . . . 99.99 112.486 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -142.71 -59.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.457 1.103 . . . . 99.99 108.855 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -164.0 -46.14 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.034 0.534 . . . . 99.99 110.327 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -107.13 -20.7 13.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.848 0.859 . . . . 99.99 110.832 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' C' ' 3' ' ' GLU . 1.3 mp0 63.51 -179.56 0.15 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.831 1.252 . . . . 99.99 110.757 -172.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.581 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 44.9 ttp 64.16 113.53 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.916 0.886 . . . . 99.99 112.145 174.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.577 HG22 ' HG3' ' E' ' 273' ' ' GLN . 89.2 m -86.21 91.82 8.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.593 -0.521 . . . . 99.99 109.593 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 -87.77 134.25 33.71 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.602 0.761 . . . . 99.99 109.006 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.77 ' HG3' ' HA ' ' E' ' 136' ' ' LYS . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 82.71 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.642 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 99.99 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' E' ' 132' ' ' SER . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.439 HG22 HD23 ' C' ' 106' ' ' LEU . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 17.72 107.438 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.542 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 9.52 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 51.3 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.59 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 13.13 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 15.89 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 10.19 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 26.52 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 43.6 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 57.64 112.49 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 78.76 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.474 ' HE1' ' HG2' ' E' ' 304' ' ' PRO . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.685 ' HZ2' ' HB2' ' C' ' 34' ' ' LYS . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 99.99 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.445 ' HB3' ' O ' ' E' ' 297' ' ' TYR . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 72.29 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 99.99 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.562 HD21 HD22 ' C' ' 128' ' ' LEU . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 99.99 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.448 HD11 HD22 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 99.99 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 90.89 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 55.92 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 78.18 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 57.25 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.516 HD13 HD13 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 99.99 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 97.58 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 43.88 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.534 HG23 ' HA2' ' C' ' 81' ' ' GLY . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 30.1 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.448 HD22 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 99.67 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 31.81 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' C' ' 77' ' ' GLU . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.79 109.816 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.553 HG23 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 29.1 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 36.6 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 38.08 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 65.72 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 99.99 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 83.21 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 40.89 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 38.89 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.413 ' HD2' ' HH ' ' E' ' 297' ' ' TYR . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 66.65 110.049 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 32.91 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.474 ' HG2' ' HG1' ' C' ' 63' ' ' THR . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 14.84 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 26.52 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.575 ' HB2' ' HB1' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 12.17 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.542 HG12 ' HE1' ' C' ' 17' ' ' TYR . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 39.17 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.642 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.692 ' HB ' HD12 ' E' ' 278' ' ' LEU . 5.1 mp -127.51 101.36 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.443 ' O ' HG13 ' C' ' 89' ' ' ILE . . . -90.12 33.83 0.87 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.904 0.481 . . . . 99.99 111.246 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -61.32 -37.02 93.36 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 114.517 0.567 . . . . 99.99 114.517 -172.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.443 HG13 ' O ' ' C' ' 87' ' ' ALA . 65.7 mt 73.14 -13.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 C-N-CA 125.712 1.605 . . . . 99.99 112.475 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 9.5 mm-40 -84.45 52.54 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.483 1.113 . . . . 99.99 113.633 -168.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.09 -117.34 4.77 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 114.693 0.637 . . . . 99.99 114.693 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.55 ' HA ' ' HB1' ' C' ' 95' ' ' ALA . 14.1 t -82.82 -17.28 44.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.252 0.621 . . . . 99.99 111.434 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.414 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 7.5 tp60 -66.86 -49.01 67.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.473 0.709 . . . . 99.99 110.533 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.08 -31.66 71.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.406 -0.361 . . . . 99.99 110.227 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' C' ' 92' ' ' THR . . . -70.59 -20.97 62.72 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.912 0.885 . . . . 99.99 112.149 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . 0.402 ' HA ' ' CE2' ' C' ' 137' ' ' PHE . 19.2 t-80 -56.47 -44.81 80.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.196 0.522 . . . . 99.99 110.197 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m -72.53 -38.67 67.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.953 -1.021 . . . . 99.99 111.286 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 81.7 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 68.22 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 85.73 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 52.77 115.885 168.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.506 HD13 ' NH1' ' A' ' 111' ' ' ARG . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 18.22 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.439 HD23 HG22 ' C' ' 16' ' ' ILE . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 62.78 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 20.21 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 17.97 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 10.09 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 18.56 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.408 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 31.03 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 26.09 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.553 HG21 HG23 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 21.24 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 14.3 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 10.17 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.585 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 12.08 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.462 HG23 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 54.79 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 23.93 110.328 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 27.3 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' E' ' 301' ' ' ILE . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 36.76 110.091 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.699 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 44.0 113.3 173.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.51 ' NE2' ' HG ' ' B' ' 119' ' ' SER . 15.6 mm100 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.462 ' H ' HG23 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 92.07 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 43.42 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.562 HD22 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 64.09 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 45.54 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 40.22 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 98.11 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -79.38 -9.09 59.52 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.54 -22.87 66.75 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.303 0.641 . . . . 99.99 111.022 172.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.62 73.41 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.125 0.57 . . . . 99.99 111.216 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.423 HD11 ' HG2' ' E' ' 287' ' ' PRO . 5.5 tt -74.84 -39.67 61.47 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.562 0.745 . . . . 99.99 110.869 175.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' C' ' 96' ' ' HIS . 1.8 t80 -80.64 -18.81 46.92 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.304 0.242 . . . . 99.99 111.111 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -43.66 30.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 170.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . 0.423 ' HB2' ' HB2' ' A' ' 143' ' ' GLN . 1.6 t30 -54.53 -36.96 64.84 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 114.2 -1.364 . . . . 99.99 111.569 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.57 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.804 0.841 . . . . 99.99 109.111 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 20.0 tp 65.79 176.35 0.22 Allowed 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.134 0.974 . . . . 99.99 111.018 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -158.48 -73.56 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.282 -0.636 . . . . 99.99 109.282 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -83.2 149.81 26.6 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.76 -0.655 . . . . 99.99 109.822 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.79 -62.42 1.42 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.16 -0.681 . . . . 99.99 109.16 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 166.29 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 126.296 1.839 . . . . 99.99 107.559 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.37 94.9 0.26 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 110.578 -1.009 . . . . 99.99 110.578 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -19.59 65.88 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.071 0.948 . . . . 99.99 111.953 -174.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.29 61.53 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 111.997 -0.441 . . . . 99.99 111.997 -173.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 33.5 p -146.53 -20.99 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.705 1.202 . . . . 99.99 111.107 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -75.62 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.846 0.858 . . . . 99.99 111.991 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' C' ' 2' ' ' SER . 0.8 OUTLIER -118.68 -54.58 2.25 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -146.15 -80.44 0.16 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.568 -1.271 . . . . 99.99 107.568 167.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.42 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.806 1.242 . . . . 99.99 107.744 177.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -149.09 44.51 0.98 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.902 -1.044 . . . . 99.99 109.85 -174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . 0.459 ' HA ' ' NE2' ' C' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 125.008 1.323 . . . . 99.99 110.586 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.526 -0.546 . . . . 99.99 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -82.03 78.25 8.75 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.85 -70.24 0.28 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 115.088 -0.96 . . . . 99.99 110.748 -172.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -95.55 -38.63 10.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.606 -0.725 . . . . 99.99 110.686 -176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -69.63 86.71 0.48 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.996 0.919 . . . . 99.99 111.165 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.22 -58.44 2.15 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.391 1.076 . . . . 99.99 110.199 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' THR . . . . . 0.497 HG22 ' H ' ' D' ' 8' ' ' GLU . 6.0 m -127.93 175.56 8.27 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.099 0.96 . . . . 99.99 109.804 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.497 ' H ' HG22 ' D' ' 7' ' ' THR . 2.8 mp0 73.59 140.31 0.06 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.492 1.517 . . . . 99.99 109.812 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.615 ' HE3' ' SG ' ' D' ' 97' ' ' CYS . 24.0 ttt -34.34 125.29 0.5 Allowed 'General case' 0 C--N 1.365 1.264 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -175.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p -103.62 135.93 44.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 173.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.469 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 79.57 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.572 HD12 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 99.99 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 81.0 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 28.79 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 14.92 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 58.5 109.987 172.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.585 HG23 ' HE1' ' C' ' 117' ' ' MET . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 14.63 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 15.53 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 6.05 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 14.28 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 16.78 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 22.87 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 21.13 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 30.2 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 64.18 112.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.497 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 34.41 109.242 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 54.02 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 34.31 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.589 HG11 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 83.42 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.446 HD12 HD21 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 99.99 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.643 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.638 ' HB2' ' HB3' ' E' ' 111' ' ' LEU . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 97.22 109.579 -174.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.459 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' THR . . . . . 0.648 HG22 HD23 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 99.99 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 62.54 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 55.71 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 61.91 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.99 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 93.38 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.443 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 99.99 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.573 HG11 HG21 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 99.99 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . 0.558 ' HB2' HD23 ' E' ' 100' ' ' LEU . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 71.26 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 36.06 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . 0.648 HD23 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 79.92 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.459 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 22.5 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 23.18 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.589 HG13 HG11 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 24.43 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 32.61 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 25.12 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 49.15 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 32.34 109.309 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 33.15 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.497 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 19.1 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 12.32 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 8.66 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 19.44 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.745 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . 0.527 HG23 HG21 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 10.02 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.72 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 29.4 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.3 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.573 HG21 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 65.32 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.553 ' HA ' HG21 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 99.99 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 99.99 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' D' ' 9' ' ' MET . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 99.99 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.615 ' SG ' ' HE3' ' D' ' 9' ' ' MET . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 99.99 111.786 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 70.12 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 64.46 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 46.86 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 45.41 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 38.42 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 87.71 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.572 HG21 HD12 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 35.35 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 21.86 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . 0.526 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 12.38 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 8.42 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 15.0 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 17.35 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 12.17 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.56 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.745 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 19.17 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 19.58 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 14.23 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 6.04 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.464 HG22 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 19.19 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 16.36 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 7.12 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 122' ' ' THR . . . . . 0.469 HG22 ' HG ' ' E' ' 132' ' ' SER . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 35.79 111.984 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 27.88 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 17.97 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 33.77 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 99.99 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.446 HD21 HD12 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 35.86 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 48.78 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.493 ' HB2' HD12 ' E' ' 71' ' ' ILE . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 48.18 112.175 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 95.86 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.526 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -56.37 -41.5 76.31 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.68 -34.32 58.32 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.853 0.861 . . . . 99.99 111.978 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.736 HD12 ' HB2' ' E' ' 120' ' ' TYR . 2.6 mm? -85.24 -45.95 11.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.632 0.773 . . . . 99.99 110.656 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -66.65 -44.66 81.33 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.876 0.871 . . . . 99.99 112.392 -168.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 24.0 ptp -53.81 -32.34 52.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.317 1.047 . . . . 99.99 112.445 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -64.68 -43.57 93.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 99.99 111.09 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.412 ' HB2' ' CE1' ' E' ' 109' ' ' TYR . 38.3 m-85 -91.67 -28.99 17.11 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.382 0.673 . . . . 99.99 111.708 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.64 1.176 . . . . 99.99 111.7 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.98 0.16 16.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.34 1.056 . . . . 99.99 112.483 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -151.27 47.3 0.83 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.677 0.791 . . . . 99.99 109.743 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . 0.43 ' HB3' ' HA2' ' E' ' 104' ' ' GLY . 15.3 mm-40 -141.59 8.45 1.96 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.265 -0.88 . . . . 99.99 111.782 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.19 -21.86 66.82 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.438 0.637 . . . . 99.99 110.068 167.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.67 -122.59 0.68 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 109.601 -1.4 . . . . 99.99 109.601 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 54.26 80.9 0.11 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.747 1.619 . . . . 99.99 112.071 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 87.12 -54.16 4.51 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.76 -0.654 . . . . 99.99 111.667 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m -59.75 -66.29 0.54 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.13 0.972 . . . . 99.99 109.985 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 53.81 -90.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.324 1.049 . . . . 99.99 110.329 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 62.68 10.95 4.49 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 125.754 1.622 . . . . 99.99 112.669 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.23 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.369 1.468 . . . . 99.99 110.975 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -156.53 59.22 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.957 0.903 . . . . 99.99 108.672 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 t70 64.19 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.539 1.136 . . . . 99.99 111.996 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.597 1.159 . . . . 99.99 108.138 -176.708 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.492 -0.559 . . . . 99.99 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.62 ' HB2' ' HB2' ' E' ' 82' ' ' ALA . 55.6 pttt -151.92 91.43 1.63 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.004 0.922 . . . . 99.99 109.085 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.99 154.3 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.869 1.268 . . . . 99.99 110.037 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' SER . . . . . 0.444 ' HB3' HG21 ' B' ' 131' ' ' VAL . 41.3 m -60.63 119.64 8.49 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.375 1.07 . . . . 99.99 112.419 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -76.74 -159.04 0.11 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.061 0.944 . . . . 99.99 110.459 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 pt -49.94 98.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.031 0 C-N-CA 124.18 0.992 . . . . 99.99 113.11 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.519 ' N ' HD13 ' B' ' 42' ' ' LEU . . . -177.18 124.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.442 -1.708 . . . . 99.99 108.078 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' B' ' 44' ' ' LEU . 8.9 mt 53.6 65.14 1.6 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.853 1.261 . . . . 99.99 113.278 166.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.66 110.84 10.14 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' E' ' 314' ' ' ARG . 4.1 mm? 67.58 104.5 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.793 1.308 . . . . 99.99 112.535 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.96 175.72 4.13 Favored Pre-proline 0 CA--C 1.559 1.314 0 C-N-CA 125.359 1.464 . . . . 99.99 108.816 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -70.66 48.05 0.76 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.918 2.412 . . . . 99.99 113.057 165.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.34 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.886 1.675 . . . . 99.99 111.11 -176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . 0.412 ' HG ' ' HD2' ' E' ' 22' ' ' ARG . 4.1 mm? -82.0 116.41 21.6 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.051 0.541 . . . . 99.99 110.279 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.6 ' HA ' HG21 ' B' ' 46' ' ' THR . 58.1 t80 -71.73 131.17 42.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 167.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' E' ' 17' ' ' PRO . 14.8 t -62.17 115.61 17.11 Favored Pre-proline 0 CA--C 1.562 1.432 0 O-C-N 123.547 0.529 . . . . 99.99 110.67 -176.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.601 ' HA ' HD11 ' B' ' 98' ' ' LEU . 10.5 Cg_endo -90.85 170.81 3.4 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.271 1.981 . . . . 99.99 113.607 -173.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.678 HG13 ' HB ' ' B' ' 86' ' ' ILE . 15.9 m -65.88 -38.4 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 114.74 -1.118 . . . . 99.99 111.171 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.7 m -133.35 146.31 51.18 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -55.9 91.22 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.152 0.981 . . . . 99.99 111.784 -175.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.594 ' HB1' ' SD ' ' B' ' 94' ' ' MET . . . -91.5 -70.43 0.69 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.115 0.966 . . . . 99.99 110.106 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.412 ' HD2' ' HG ' ' E' ' 14' ' ' LEU . 0.1 OUTLIER 67.73 172.99 0.27 Allowed 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 124.683 1.193 . . . . 99.99 110.99 177.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' E' ' 24' ' ' PRO . 1.5 p -84.13 114.04 51.96 Favored Pre-proline 0 CA--C 1.555 1.17 0 C-N-CA 123.395 0.678 . . . . 99.99 110.245 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' E' ' 23' ' ' THR . 2.8 Cg_exo -75.8 155.97 39.39 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.428 2.752 . . . . 99.99 112.772 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 68.27 -77.28 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.337 1.455 . . . . 99.99 112.262 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 51.4 mtm -140.9 155.12 69.1 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.178 0.991 . . . . 99.99 110.095 -172.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . 0.493 ' HD3' HD23 ' E' ' 321' ' ' LEU . 14.9 Cg_exo -69.85 158.12 57.89 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.402 2.068 . . . . 99.99 111.07 170.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 140' ' ' TYR . 4.3 p -75.26 76.5 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 CA-C-O 122.028 0.918 . . . . 99.99 110.831 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.37 8.16 1.53 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.022 1.329 . . . . 99.99 113.34 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.62 -60.22 0.48 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.763 1.625 . . . . 99.99 112.96 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 69.38 20.4 7.33 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.068 1.347 . . . . 99.99 110.86 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.0 -21.18 59.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.1 0.56 . . . . 99.99 111.097 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.81 7.78 9.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.945 0.898 . . . . 99.99 111.905 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.7 26.36 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.613 0.765 . . . . 99.99 111.175 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -117.52 148.97 41.37 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.808 1.243 . . . . 99.99 110.123 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.23 -16.02 77.31 Favored Glycine 0 N--CA 1.472 1.055 0 O-C-N 123.751 0.657 . . . . 99.99 112.203 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.12 90.67 0.47 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 123.655 0.782 . . . . 99.99 110.631 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.537 HG12 HG21 ' E' ' 39' ' ' THR . 10.8 tt -166.77 142.61 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 124.664 1.186 . . . . 99.99 108.86 173.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' THR . . . . . 0.537 HG21 HG12 ' E' ' 38' ' ' ILE . 70.4 p 60.86 6.12 1.12 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 126.694 1.998 . . . . 99.99 114.504 174.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' HD3' ' E' ' 41' ' ' PRO . . . -162.87 -60.76 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.458 0 CA-C-O 118.228 -0.891 . . . . 99.99 110.821 175.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' E' ' 40' ' ' ALA . 1.1 Cg_endo -83.87 116.97 2.23 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.095 1.863 . . . . 99.99 111.016 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -0.12 58.66 Favored Glycine 0 N--CA 1.474 1.215 0 CA-C-O 119.712 -0.493 . . . . 99.99 114.066 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.49 -80.81 1.13 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.755 -0.538 . . . . 99.99 111.755 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.84 58.04 4.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.094 1.358 . . . . 99.99 112.327 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -84.64 65.57 9.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.507 -0.923 . . . . 99.99 108.507 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -73.7 103.06 4.14 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.062 -0.972 . . . . 99.99 110.553 -170.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.62 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.463 1.505 . . . . 99.99 110.698 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 9.2 m -129.45 -24.29 2.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.672 0.789 . . . . 99.99 110.542 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 -120.29 15.95 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 118.974 -0.903 . . . . 99.99 110.973 -171.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 61.05 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.794 1.238 . . . . 99.99 113.175 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.14 -29.71 68.67 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.8 1.24 . . . . 99.99 111.113 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 60.3 p -78.2 -24.71 47.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.766 0.827 . . . . 99.99 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.96 -54.51 7.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.227 0.611 . . . . 99.99 110.618 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 74.39 -50.29 0.68 Allowed 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.603 1.561 . . . . 99.99 113.309 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 51.0 tp 73.64 -70.17 0.17 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.011 1.724 . . . . 99.99 110.178 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -139.17 -75.79 0.36 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 170.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 171.89 -2.88 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.812 1.645 . . . . 99.99 108.798 -170.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 58' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' E' ' 63' ' ' PRO . 22.8 t -50.93 -42.01 59.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 123.645 0.778 . . . . 99.99 111.395 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.68 15.34 1.75 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.393 1.077 . . . . 99.99 112.373 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -90.82 -83.56 0.26 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.929 0.492 . . . . 99.99 110.114 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.45 -57.38 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.88 0.472 . . . . 99.99 111.312 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.596 ' HA ' ' SD ' ' E' ' 75' ' ' MET . 40.6 mtpt -115.69 99.85 52.94 Favored Pre-proline 0 N--CA 1.487 1.39 0 CA-C-N 118.61 0.641 . . . . 99.99 110.395 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . 0.434 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 66.8 Cg_endo -83.89 -11.51 8.9 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.038 2.492 . . . . 99.99 113.932 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.29 152.91 39.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.499 0.72 . . . . 99.99 110.554 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -172.12 103.28 0.17 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.927 0.891 . . . . 99.99 109.069 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.63 ' HB3' ' HA3' ' E' ' 72' ' ' GLY . 28.8 t-20 -62.86 154.34 30.36 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.425 0.69 . . . . 99.99 110.12 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.8 tt -46.14 121.94 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.107 1.363 . . . . 99.99 111.867 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 pt -82.68 29.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.779 0.832 . . . . 99.99 112.129 -170.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.2 -55.93 15.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.431 1.093 . . . . 99.99 108.721 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.439 HD11 HG12 ' E' ' 71' ' ' ILE . 0.9 OUTLIER -159.61 -4.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.8 0.667 . . . . 99.99 112.8 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' D' ' 130' ' ' PRO . 20.9 pt -143.54 157.67 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.747 0.703 . . . . 99.99 112.132 -175.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . 0.63 ' HA3' ' HB3' ' E' ' 66' ' ' ASN . . . 79.78 156.08 11.19 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 114.98 -1.009 . . . . 99.99 114.236 171.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -179.28 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.081 1.352 . . . . 99.99 109.639 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.1 162.18 7.67 Favored Glycine 0 C--N 1.359 1.845 0 O-C-N 124.219 0.95 . . . . 99.99 113.82 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 75' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' E' ' 62' ' ' LYS . 25.4 ptt? -149.96 179.13 8.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.031 0.532 . . . . 99.99 111.846 -166.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.88 -170.24 45.95 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 110.684 -0.966 . . . . 99.99 110.684 166.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.03 151.12 23.53 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.672 0.736 . . . . 99.99 110.472 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 8.7 m -71.21 -46.71 60.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.056 0.943 . . . . 99.99 111.488 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -85.94 -29.46 23.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.828 -1.078 . . . . 99.99 111.31 -167.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.04 89.35 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-O 121.963 0.887 . . . . 99.99 109.915 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -148.85 172.06 15.27 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 125.265 1.426 . . . . 99.99 108.81 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' E' ' 2' ' ' LYS . . . -154.46 -78.96 0.1 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 122.899 0.48 . . . . 99.99 109.984 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . 0.409 ' HA ' ' SG ' ' E' ' 308' ' ' CYS . . . 66.2 128.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 125.262 1.425 . . . . 99.99 112.53 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.427 ' HD3' ' HB2' ' E' ' 87' ' ' ALA . 0.0 OUTLIER -168.09 117.26 0.76 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 107.287 -1.375 . . . . 99.99 107.287 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . 0.423 ' HA ' ' HG1' ' E' ' 309' ' ' THR . 3.1 p-10 -57.08 123.56 15.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 124.003 0.814 . . . . 99.99 111.098 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . 0.609 ' HB2' ' HG2' ' B' ' 39' ' ' GLU . 54.6 t80 59.64 -87.86 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.149 1.38 . . . . 99.99 111.561 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . 0.427 ' HB2' ' HD3' ' E' ' 84' ' ' ARG . . . 58.97 -83.57 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.146 1.379 . . . . 99.99 110.95 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 176.08 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.347 0.49 0 N-CA-C 105.942 -1.873 . . . . 99.99 105.942 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.38 -139.18 2.99 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 114.836 -1.074 . . . . 99.99 111.652 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . 0.55 ' HB1' ' HD3' ' E' ' 2' ' ' LYS . . . -153.95 142.3 20.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.909 0.884 . . . . 99.99 110.034 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.63 152.77 32.4 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.499 0.5 . . . . 99.99 112.331 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -155.15 -152.31 6.13 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . 0.411 ' HE2' ' HB2' ' D' ' 52' ' ' ALA . 94.6 m-85 60.89 21.1 11.33 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.663 1.185 . . . . 99.99 112.312 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . 0.445 ' HZ ' HG23 ' D' ' 10' ' ' THR . 27.5 p90 -67.82 140.58 56.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.849 0.86 . . . . 99.99 110.406 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -74.06 111.95 9.73 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.631 0.773 . . . . 99.99 110.035 -162.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.47 -56.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.174 -0.237 . . . . 99.99 113.451 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . . . . . . . . . 23.7 pt -124.73 33.26 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 122.999 0.52 . . . . 99.99 111.897 -167.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.95 97.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.843 0.857 . . . . 99.99 112.699 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . 0.587 ' H ' HD12 ' E' ' 100' ' ' LEU . . . 161.9 -52.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.171 2.188 . . . . 99.99 106.742 175.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.587 HD12 ' H ' ' E' ' 99' ' ' ALA . 3.8 mp 48.42 60.23 15.78 Favored Pre-proline 0 CA--C 1.563 1.458 0 CA-C-N 113.603 -1.635 . . . . 99.99 110.496 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -76.18 105.71 2.13 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.314 2.676 . . . . 99.99 112.567 -166.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.401 HD11 HD12 ' D' ' 98' ' ' LEU . 75.9 mt -73.24 119.45 17.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.481 -0.781 . . . . 99.99 109.273 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.8 p -77.8 72.59 4.35 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.946 0.879 . . . . 99.99 110.195 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' D' ' 144' ' ' GLN . . . 164.05 35.98 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 114.416 -1.266 . . . . 99.99 111.203 -176.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 64.94 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.315 1.446 . . . . 99.99 109.435 -171.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -121.38 -73.3 0.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 106.351 -1.722 . . . . 99.99 106.351 162.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.6 p -154.39 75.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.915 -1.493 . . . . 99.99 107.913 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -85.44 88.34 7.5 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.842 -0.617 . . . . 99.99 109.821 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' D' ' 140' ' ' TYR . 51.1 m-85 -133.97 138.77 45.66 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.902 0.881 . . . . 99.99 109.286 -178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.5 44.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.85 0.86 . . . . 99.99 110.888 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' D' ' 44' ' ' LEU . 79.4 mt 58.72 -86.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.142 1.377 . . . . 99.99 112.783 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -74.27 -24.73 59.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 99.99 111.361 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.05 107.48 3.17 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 107.779 -1.193 . . . . 99.99 107.779 167.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -48.58 -56.46 8.34 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.837 1.336 . . . . 99.99 111.53 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p 52.77 -77.51 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.394 1.878 . . . . 99.99 112.955 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.88 4.22 1.18 Allowed Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -94.42 -49.09 0.27 Allowed Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.47 1.108 . . . . 99.99 112.029 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -76.43 130.0 11.52 Favored 'Trans proline' 0 C--N 1.397 3.113 0 C-N-CA 121.895 1.73 . . . . 99.99 112.513 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -117.36 103.17 9.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.655 0.782 . . . . 99.99 109.776 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.736 ' HB2' HD12 ' D' ' 136' ' ' LEU . 3.2 t80 -170.14 175.08 5.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.012 0.925 . . . . 99.99 109.243 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 46.2 t 57.96 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.809 1.244 . . . . 99.99 110.215 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 30.2 m -141.17 -29.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.389 0.675 . . . . 99.99 110.061 -176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.88 -38.32 75.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.81 1.244 . . . . 99.99 112.389 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t 63.43 36.45 11.39 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.195 0.998 . . . . 99.99 111.603 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.5 88.45 0.67 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.107 0.563 . . . . 99.99 110.933 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.17 174.04 12.37 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.499 1.119 . . . . 99.99 110.046 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 22.9 t -146.16 -177.73 5.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 99.99 109.704 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.6 -179.26 5.27 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 99.95 110.396 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.0 p -141.9 178.83 7.24 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.229 0.611 . . . . 99.99 111.73 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.83 156.67 30.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.053 -0.976 . . . . 99.99 110.349 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -90.51 160.85 15.77 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.885 0.874 . . . . 99.99 110.609 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 132' ' ' SER . . . . . 0.83 ' HA ' ' HB3' ' A' ' 124' ' ' PRO . 20.0 m -79.39 158.47 27.38 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.547 0.739 . . . . 99.99 112.715 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.526 ' HB ' HD23 ' E' ' 470' ' ' LEU . 14.7 t -104.28 -174.43 2.54 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 114.972 -1.013 . . . . 99.99 110.055 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.71 127.68 1.91 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.616 -0.594 . . . . 99.66 111.616 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.56 96.86 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.06 0.933 . . . . 99.99 110.23 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.77 ' HA ' ' HG3' ' C' ' 12' ' ' GLN . 3.9 ttmp? -72.18 -35.13 68.91 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.69 -1.141 . . . . 99.99 110.843 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 25.0 m -61.24 -30.15 70.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.387 1.075 . . . . 99.99 112.498 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 45.7 t80 68.67 -71.21 0.12 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.511 1.124 . . . . 99.99 108.832 -170.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 77.06 -67.13 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.592 1.557 . . . . 99.99 113.826 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.82 -62.14 5.85 Favored Glycine 0 C--N 1.36 1.877 0 O-C-N 124.411 1.069 . . . . 99.99 114.224 -170.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 63.92 177.15 0.17 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.167 0.987 . . . . 99.99 113.049 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 136' ' ' LEU . 20.0 mt -100.27 -4.64 28.92 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.326 0.65 . . . . 99.99 111.907 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 176.12 25.61 0.03 OUTLIER Glycine 0 C--N 1.346 1.123 0 O-C-N 122.974 0.171 . . . . 99.99 113.036 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.27 138.51 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.098 0.959 . . . . 99.99 108.622 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.36 155.96 20.59 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tp -145.87 93.24 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.2 -1.037 . . . . 99.99 108.2 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -92.29 90.23 7.18 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.1 0.952 . . . . 99.99 109.564 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -128.03 106.22 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.108 -1.442 . . . . 99.99 107.108 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -77.24 155.47 32.12 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 122.934 0.493 . . . . 99.99 111.043 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.17 152.91 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.965 -1.016 . . . . 99.99 111.701 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -116.45 90.78 31.41 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.13 -35.63 11.21 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.868 2.379 . . . . 99.99 113.663 -169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 7.1 m 58.67 80.59 0.18 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.829 1.252 . . . . 99.99 109.177 -170.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -72.96 -3.53 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-N 114.822 -1.081 . . . . 99.99 112.245 -170.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.7 -48.75 76.99 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.396 1.078 . . . . 99.99 110.078 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -87.74 141.32 28.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.404 0.682 . . . . 99.99 110.058 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 48.7 ttm -166.88 -43.05 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.729 0.812 . . . . 99.99 110.426 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.23 60.13 0.9 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.793 0.437 . . . . 99.99 110.886 -173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -32.54 74.27 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.22 0.608 . . . . 99.99 110.226 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . 0.435 ' HB1' ' HG2' ' E' ' 254' ' ' ARG . . . -72.87 -55.34 6.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.081 0.553 . . . . 99.99 110.153 172.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 64.76 -71.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.33 1.452 . . . . 99.99 111.392 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -173.6 128.55 1.51 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.69 -0.964 . . . . 99.99 110.69 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 25.3 tp -142.97 163.4 32.9 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.291 0.636 . . . . 99.99 109.467 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.53 -68.86 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.525 1.53 . . . . 99.99 110.47 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 24.9 m 63.11 92.49 0.06 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.4 1.08 . . . . 99.99 110.221 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -148.6 90.28 0.14 Allowed Glycine 0 C--N 1.343 0.96 0 N-CA-C 111.261 -0.736 . . . . 99.99 111.261 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -77.9 93.75 4.45 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.243 0.617 . . . . 99.99 109.947 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . 0.646 HG11 ' H ' ' E' ' 240' ' ' GLY . 85.7 t -75.98 -42.41 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.153 0.581 . . . . 99.99 109.95 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 88.4 p 67.51 -51.42 0.5 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.06 2.544 . . . . 99.99 113.941 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 3.1 m 61.26 25.98 15.89 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 124.701 1.2 . . . . 99.99 110.551 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . 0.417 ' HB3' ' HD2' ' E' ' 424' ' ' TYR . . . -96.38 5.32 51.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.747 0.819 . . . . 99.99 112.128 -173.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . 0.528 ' HG2' HG22 ' E' ' 421' ' ' VAL . 45.4 mt-10 -93.09 150.01 20.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.747 0.819 . . . . 99.99 110.166 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.43 79.28 9.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.844 0.83 . . . . 99.99 110.925 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . 0.432 ' HB3' HG21 ' B' ' 7' ' ' THR . 80.5 mt-30 -88.48 83.62 6.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.857 -1.164 . . . . 99.99 107.857 169.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -140.05 -42.78 0.42 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.518 1.127 . . . . 99.99 109.892 -171.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . 0.534 ' H ' ' HD2' ' E' ' 231' ' ' LYS . . . 74.01 -16.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.493 1.517 . . . . 99.99 114.193 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 177' ' ' THR . . . . . 0.468 HG22 ' NZ ' ' E' ' 231' ' ' LYS . 14.4 p 46.96 78.15 0.42 Allowed Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 124.701 1.2 . . . . 99.99 111.374 -165.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.94 100.95 0.37 Allowed 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.327 2.685 . . . . 99.99 112.086 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -99.58 -50.9 3.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.529 0.732 . . . . 99.99 109.378 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 65.33 174.56 0.21 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.904 1.282 . . . . 99.99 112.373 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.04 170.07 16.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.691 0.796 . . . . 99.99 109.644 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.19 105.27 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.264 -0.643 . . . . 99.99 109.264 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -77.36 77.66 3.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.864 0.866 . . . . 99.99 109.821 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -143.98 -62.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.311 1.444 . . . . 99.99 107.478 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 91.5 t 65.7 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 125.168 1.387 . . . . 99.99 109.945 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 19.8 m 74.56 -73.71 0.09 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.627 1.571 . . . . 99.99 111.832 171.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.4 m -74.8 -30.19 61.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.332 0.653 . . . . 99.99 112.212 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 62.05 42.41 9.95 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.321 1.048 . . . . 99.99 109.081 -172.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.52 17.78 11.05 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 114.014 -1.448 . . . . 99.99 110.972 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 45.0 t 65.76 -72.48 0.07 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.746 1.618 . . . . 99.99 112.223 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -72.56 -37.25 68.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.303 1.041 . . . . 99.99 110.361 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.35 54.03 22.21 Favored Glycine 0 CA--C 1.542 1.76 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.116 -171.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -86.08 13.19 2.81 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.735 2.29 . . . . 99.99 112.792 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 194' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' E' ' 197' ' ' SER . 16.2 m -72.25 -48.21 44.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.98 0.912 . . . . 99.99 110.248 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 56.33 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.304 1.442 . . . . 99.99 111.953 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 196' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . 10.1 t -80.97 -13.14 59.15 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.006 0.922 . . . . 99.99 111.782 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 197' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' E' ' 194' ' ' SER . 24.3 m -81.52 -39.92 23.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.429 0.691 . . . . 99.99 111.954 -174.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.66 81.67 5.89 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 112.124 0.416 . . . . 99.99 112.124 -174.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 43.89 52.28 6.63 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.686 1.595 . . . . 99.99 113.36 164.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' E' ' 196' ' ' THR . 57.5 m -67.63 -42.23 34.71 Favored Pre-proline 0 CA--C 1.559 1.315 0 CA-C-N 114.995 -1.002 . . . . 99.99 112.067 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -61.56 -26.49 80.67 Favored 'Trans proline' 0 C--N 1.398 3.169 0 C-N-CA 121.612 1.541 . . . . 99.99 112.706 167.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.33 25.9 73.58 Favored Glycine 0 C--N 1.356 1.64 0 O-C-N 123.677 0.611 . . . . 99.99 113.191 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -159.35 156.67 28.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.172 0.989 . . . . 99.99 109.104 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.23 77.1 4.73 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.676 0.79 . . . . 99.99 110.926 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 9.3 mp 55.69 28.19 11.74 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.908 1.283 . . . . 99.99 112.788 173.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.11 26.07 15.19 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.626 1.17 . . . . 99.99 112.232 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -74.7 107.24 6.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.791 0.836 . . . . 99.99 109.318 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -109.45 -74.87 0.82 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 110.837 -0.905 . . . . 99.99 110.837 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.66 48.66 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.156 -0.378 . . . . 99.99 112.156 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -103.34 -42.66 5.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.698 0.799 . . . . 99.99 111.313 -175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 106.5 -163.9 13.52 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.395 -0.821 . . . . 99.99 111.684 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 63.3 m -146.77 154.59 41.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.467 0.707 . . . . 99.99 110.776 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 35.2 pt -75.37 -8.84 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.989 0.916 . . . . 99.99 111.93 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 5.6 m -66.47 -40.62 89.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.257 1.023 . . . . 99.99 111.407 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -70.91 -41.43 71.23 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.748 0.819 . . . . 99.99 109.69 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -21.36 66.3 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.992 0.917 . . . . 99.99 109.849 177.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 90.5 mt 73.09 3.66 4.73 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.594 1.558 . . . . 99.99 111.846 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' E' ' 423' ' ' SER . 22.6 tp 52.82 68.19 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.963 1.305 . . . . 99.99 110.743 -177.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.44 -25.18 64.88 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.714 0.406 . . . . 99.99 111.488 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.77 -88.44 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.731 1.212 . . . . 99.99 111.554 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 63.87 -65.67 0.12 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.962 1.705 . . . . 99.99 113.568 -176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -56.75 90.79 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.507 1.123 . . . . 99.99 112.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.19 -24.32 16.31 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 99.99 109.681 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.92 169.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.091 -0.959 . . . . 99.99 111.617 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 7.7 m -77.99 116.47 18.5 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.716 -0.675 . . . . 99.99 110.988 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 91.4 mt -120.02 -51.33 2.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.832 0.853 . . . . 99.99 109.416 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 82.03 123.1 0.69 Allowed Glycine 0 C--N 1.35 1.309 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 74.32 88.72 0.2 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -69.3 74.77 0.38 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.151 -0.78 . . . . 99.99 111.151 173.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 63.71 -74.23 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.691 1.596 . . . . 99.99 110.665 -170.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . 0.534 ' HD2' ' H ' ' E' ' 176' ' ' ALA . 37.0 ttpt 64.74 93.97 0.06 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.804 1.241 . . . . 99.99 111.927 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 t -101.41 86.7 3.03 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.143 -1.058 . . . . 99.99 108.143 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 66.45 -77.91 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.706 1.202 . . . . 99.99 110.099 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -158.91 124.76 4.42 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.003 0.921 . . . . 99.99 108.774 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.37 115.61 6.49 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.439 0.696 . . . . 99.99 109.929 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.5 m -129.84 19.35 5.57 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.408 1.083 . . . . 99.99 109.363 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -81.0 -13.86 58.47 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.19 0.996 . . . . 99.99 112.155 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 11.8 t -159.7 -162.11 0.99 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.37 1.468 . . . . 99.99 107.251 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 72.33 179.31 0.23 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.74 1.216 . . . . 99.99 111.902 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . 0.646 ' H ' HG11 ' E' ' 168' ' ' VAL . . . -112.78 96.74 0.84 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.19 138.3 58.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.304 0.642 . . . . 99.99 110.481 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 78.41 -23.01 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.836 1.654 . . . . 99.99 112.126 -175.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 66.6 46.58 1.78 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.022 1.329 . . . . 99.99 110.786 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -79.03 79.11 1.63 Allowed Glycine 0 C--N 1.341 0.855 0 CA-C-N 114.991 -1.004 . . . . 99.99 111.047 172.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.3 97.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.051 0.54 . . . . 99.99 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.8 m 68.4 109.42 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 124.556 1.16 . . . . 99.99 112.506 166.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.28 -19.31 65.48 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.948 0.899 . . . . 99.99 110.455 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -76.13 -9.26 58.48 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.439 1.095 . . . . 99.99 112.097 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -16.66 0.05 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 116.344 1.979 . . . . 99.99 116.344 -158.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -54.74 -22.51 14.26 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 123.86 0.864 . . . . 99.99 111.831 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -62.95 -11.94 22.1 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.669 1.587 . . . . 99.99 112.825 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -27.4 13.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.162 0.985 . . . . 99.99 112.53 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.05 -57.82 6.87 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.168 0.587 . . . . 99.99 109.518 171.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . 0.435 ' HG2' ' HB1' ' E' ' 160' ' ' ALA . 5.2 tpm_? 60.7 -70.5 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.552 1.941 . . . . 99.99 113.558 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -73.92 78.92 0.89 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.667 -0.973 . . . . 99.99 110.667 171.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.4 -42.43 83.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.662 0.785 . . . . 99.99 109.394 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 59.13 20.64 8.6 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.316 1.447 . . . . 99.99 113.345 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 tp -73.98 -32.47 63.43 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.868 0.867 . . . . 99.99 110.221 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 33.8 m -77.98 -15.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.619 0.767 . . . . 99.99 111.402 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 41.9 p -114.74 11.38 16.8 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.213 1.005 . . . . 99.99 111.361 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.52 -15.73 59.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.07 0.948 . . . . 99.99 111.951 -174.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.84 -17.15 34.27 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.437 1.095 . . . . 99.99 112.814 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.16 75.68 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.512 0.725 . . . . 99.99 110.452 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 21.7 t 74.16 -18.78 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.287 1.435 . . . . 99.99 113.866 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 62.65 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.466 1.506 . . . . 99.99 109.924 -176.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -159.81 126.77 4.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.125 0.97 . . . . 99.99 108.596 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.9 m -135.81 2.04 2.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.981 0.912 . . . . 99.99 110.948 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.58 47.4 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-O 122.582 1.182 . . . . 99.99 108.791 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 35.4 p -95.54 15.33 20.07 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.537 -1.211 . . . . 99.99 110.599 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 56.01 -97.82 0.08 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.601 1.16 . . . . 99.99 109.848 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -95.57 -71.75 0.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.83 0.452 . . . . 99.99 110.608 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -121.13 -57.08 1.88 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.915 0.886 . . . . 99.99 110.435 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.577 ' HG3' HG22 ' C' ' 10' ' ' THR . 1.5 tm0? -102.86 -87.69 0.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.589 0.355 . . . . 99.99 110.421 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -139.46 -42.22 0.45 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.836 0.854 . . . . 99.99 109.26 169.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.88 123.95 34.9 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.01 95.24 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 121.971 1.781 . . . . 99.99 110.213 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.416 ' HG ' HG12 ' C' ' 89' ' ' ILE . 0.3 OUTLIER -134.48 -129.74 0.16 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 118.879 -0.582 . . . . 99.99 109.621 -175.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.692 HD12 ' HB ' ' C' ' 86' ' ' ILE . 37.9 tp 61.6 158.79 0.05 Allowed 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.762 1.225 . . . . 99.99 111.238 -160.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 107.45 115.72 3.99 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' C' ' 95' ' ' ALA . 0.8 OUTLIER -170.15 -70.75 0.02 OUTLIER 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.213 -1.402 . . . . 99.99 107.213 178.379 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.81 175.22 0.17 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.884 1.274 . . . . 99.99 110.588 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -156.79 115.85 3.39 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.996 -0.44 . . . . 99.99 109.957 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 64.92 -83.47 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.939 1.296 . . . . 99.99 111.601 172.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 118.43 -60.04 0.49 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-O 120.211 -0.216 . . . . 99.99 112.662 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.78 64.91 6.68 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.421 1.105 . . . . 99.99 110.357 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 69.4 mtm -88.31 158.55 49.02 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.501 1.12 . . . . 99.99 109.069 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' C' ' 136' ' ' LEU . 14.4 Cg_exo -35.25 88.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 125.202 3.935 . . . . 99.99 116.657 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.446 HG22 ' HG ' ' C' ' 44' ' ' LEU . 57.3 t -123.08 -75.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 106.219 -1.771 . . . . 99.99 106.219 165.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 45.75 -86.73 0.01 OUTLIER 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.286 1.434 . . . . 99.99 111.441 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.421 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -169.04 115.19 0.6 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 170.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.421 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.17 104.73 0.21 Allowed Glycine 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.07 104.82 0.21 Allowed 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.675 2.917 . . . . 99.99 112.555 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.68 121.56 28.53 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -62.85 100.5 0.2 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.862 0.865 . . . . 99.99 111.018 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 20.4 m -74.29 165.86 24.46 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.162 0.985 . . . . 99.99 109.301 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.699 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 5.0 m-30 73.14 -0.11 3.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.294 1.038 . . . . 99.99 112.6 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.42 84.31 0.81 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.178 0.991 . . . . 99.99 110.125 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 73.1 -126.68 10.44 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.096 -174.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . 0.435 ' HB2' ' HG3' ' C' ' 124' ' ' PRO . 20.3 m120 65.54 -74.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.577 1.551 . . . . 99.99 111.4 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.489 ' HB ' ' HG3' ' E' ' 304' ' ' PRO . 47.2 pt -90.43 55.04 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 CA-C-O 122.266 1.031 . . . . 99.99 110.681 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.36 -23.29 64.16 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.213 -0.903 . . . . 99.99 110.877 172.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.619 ' HB2' ' HZ2' ' E' ' 303' ' ' LYS . 4.2 ttmp? -154.57 100.02 2.42 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 167.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.489 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 27.0 Cg_exo -64.2 -16.09 53.06 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 123.37 2.713 . . . . 99.99 113.153 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -74.49 129.41 37.7 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.084 -0.71 . . . . 99.99 109.084 172.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 66.3 t -78.16 140.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.753 0.821 . . . . 99.99 111.105 -170.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 33.0 p -62.14 140.96 58.4 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.412 1.085 . . . . 99.99 110.278 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' E' ' 83' ' ' ALA . 49.6 t -101.02 100.19 10.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.939 0.496 . . . . 99.99 111.254 -175.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 309' ' ' THR . . . . . 0.423 ' HG1' ' HA ' ' E' ' 85' ' ' ASN . 6.8 m -142.22 93.18 7.31 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.647 -0.871 . . . . 99.99 108.647 171.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -87.02 25.52 0.67 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 123.165 2.577 . . . . 99.99 113.335 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -76.28 115.59 48.49 Favored Pre-proline 0 N--CA 1.482 1.141 0 C-N-CA 124.135 0.974 . . . . 99.99 111.732 -171.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -101.41 -162.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 123.73 2.953 . . . . 99.99 111.875 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -135.63 2.72 2.96 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.465 1.106 . . . . 99.99 110.35 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' E' ' 10' ' ' LEU . 31.1 mmt180 -85.76 93.99 9.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.721 0.808 . . . . 99.99 111.772 -177.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.24 23.57 1.04 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.025 0.93 . . . . 99.99 109.34 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.57 76.41 2.59 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.5 1.12 . . . . 99.99 111.217 -173.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 26.4 p -91.62 127.26 37.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.635 1.174 . . . . 99.99 110.897 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 6.1 p -113.39 131.26 23.03 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 123.717 0.807 . . . . 99.99 109.935 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.7 87.54 1.37 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.747 2.298 . . . . 99.99 110.703 172.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 40.1 p -63.83 -50.49 68.68 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.167 0.987 . . . . 99.99 112.304 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' E' ' 324' ' ' MET . 3.2 pp -68.73 -30.59 69.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.454 0.701 . . . . 99.99 111.522 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 65.32 -74.71 0.05 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.472 1.509 . . . . 99.99 113.023 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.33 -71.76 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.993 0.917 . . . . 99.99 111.978 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.539 ' HB2' HD13 ' E' ' 321' ' ' LEU . 0.7 OUTLIER 60.17 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.01 1.324 . . . . 99.99 109.973 -167.308 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.8 t -152.26 158.19 42.46 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.583 0.753 . . . . 99.99 110.291 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -110.12 -53.9 2.63 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.96 0.504 . . . . 99.99 110.579 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 60.25 7.5 1.28 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.213 1.405 . . . . 99.99 112.998 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.03 -51.89 8.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.139 0.976 . . . . 99.99 110.46 -173.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 13.7 tt -66.5 -31.86 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 115.584 -0.735 . . . . 99.99 110.882 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.21 -44.4 79.67 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.034 0.534 . . . . 99.99 110.403 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . 0.403 ' HA ' ' HE2' ' E' ' 334' ' ' LYS . 8.7 tt -68.93 -35.03 76.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.812 0.445 . . . . 99.99 110.043 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.49 150.49 29.65 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.764 0.826 . . . . 99.99 110.72 -173.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.0 t 85.74 -48.52 0.07 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.748 2.019 . . . . 99.99 112.275 171.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' E' ' 331' ' ' LEU . 0.0 OUTLIER -73.92 -4.87 37.72 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.54 0.57 . . . . 99.99 112.54 -178.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -55.48 114.19 1.73 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.563 1.145 . . . . 99.99 110.399 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 79.67 -21.57 0.32 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 125.358 1.463 . . . . 99.99 111.676 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -65.11 102.62 0.65 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.729 0.812 . . . . 99.99 111.2 -175.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 137.27 -143.8 15.12 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 64.5 t80 58.36 70.06 0.68 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.851 1.261 . . . . 99.99 111.243 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 54.85 28.27 10.16 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.509 1.124 . . . . 99.99 113.193 168.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.09 -24.16 65.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.079 0.952 . . . . 99.99 112.102 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -125.33 83.04 2.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.311 0.644 . . . . 99.99 110.528 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 82.7 t -115.07 111.33 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.47 157.86 34.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.247 1.019 . . . . 99.99 111.141 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -137.03 174.03 21.88 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.308 -0.405 . . . . 99.99 112.771 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.28 82.92 0.15 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 99.99 110.648 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 52.0 m -140.26 81.5 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.566 -0.743 . . . . 99.99 109.755 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -89.83 126.54 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.878 -0.601 . . . . 99.99 109.595 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.16 151.58 34.13 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.355 1.062 . . . . 99.99 109.917 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 65.22 91.87 0.08 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.819 1.247 . . . . 99.99 112.026 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 63.39 15.38 8.68 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.559 1.144 . . . . 99.99 113.057 163.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 25.4 t70 54.83 -110.57 0.57 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 124.928 1.291 . . . . 99.99 111.687 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.41 -32.9 8.81 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 118.844 0.747 . . . . 99.99 111.215 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -171.21 -26.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.998 1.319 . . . . 99.99 109.872 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 69.45 -93.53 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.718 1.607 . . . . 99.99 109.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 166.8 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 125.554 1.542 . . . . 99.99 111.343 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.64 -13.14 36.53 Favored 'Trans proline' 0 C--N 1.398 3.133 0 C-N-CA 121.835 1.69 . . . . 99.99 113.328 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.2 125.0 29.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.604 -0.517 . . . . 99.99 109.604 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 87.76 155.64 29.03 Favored Glycine 0 C--N 1.34 0.794 0 O-C-N 123.722 0.639 . . . . 99.99 112.026 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 75.12 -40.31 0.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.816 1.646 . . . . 99.99 112.563 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 33.1 pt -53.42 107.12 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 124.167 0.987 . . . . 99.99 111.542 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.17 -45.31 0.84 Allowed Glycine 0 C--N 1.332 0.32 0 N-CA-C 110.506 -1.038 . . . . 99.99 110.506 -173.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.66 74.12 2.65 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.343 1.057 . . . . 99.99 110.403 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 40.2 p -85.95 -26.99 25.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.081 -0.963 . . . . 99.99 110.055 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 17.8 m -90.25 149.48 4.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.507 -0.77 . . . . 99.99 110.397 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.75 96.67 4.44 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.902 0.881 . . . . 99.99 109.988 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.76 -35.03 79.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.789 -1.189 . . . . 99.99 107.789 167.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.81 -55.73 13.06 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.268 -1.333 . . . . 99.99 112.156 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -49.17 -37.07 21.21 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.832 1.253 . . . . 99.99 113.664 -170.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.51 69.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.025 0.828 . . . . 99.99 111.742 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 30.7 m -87.2 -25.29 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 115.851 -0.613 . . . . 99.99 111.183 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.08 -32.69 74.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.569 1.147 . . . . 99.99 111.087 -175.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -54.01 -44.06 70.59 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.898 0.879 . . . . 99.99 111.056 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -83.83 -48.99 9.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.582 0.753 . . . . 99.99 111.364 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.87 -20.47 62.52 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.544 0.942 . . . . 99.99 113.544 -169.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -29.85 69.73 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.247 0.476 . . . . 99.99 110.372 -177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.86 -37.95 88.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.271 0.628 . . . . 99.99 111.156 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -81.68 -47.7 12.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.52 -0.764 . . . . 99.99 111.406 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.94 -39.03 66.59 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.476 1.111 . . . . 99.99 112.4 -167.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -62.55 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.457 1.103 . . . . 99.99 110.904 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.34 -173.21 3.96 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.214 1.406 . . . . 99.99 108.873 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 77.09 -150.32 37.16 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.621 -0.591 . . . . 99.99 111.621 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -139.34 -73.99 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 14.1 m 67.33 -14.43 0.19 Allowed 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.257 1.423 . . . . 99.99 114.367 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.57 -13.51 62.13 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.311 -0.868 . . . . 99.99 112.819 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.5 113.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 123.341 0.656 . . . . 99.99 110.025 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.25 112.15 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.404 1.082 . . . . 99.99 108.601 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.02 112.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.58 -0.896 . . . . 99.99 108.58 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 40.5 m -143.4 112.25 6.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.618 0.767 . . . . 99.99 109.879 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -80.04 161.28 25.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.927 0.891 . . . . 99.99 111.024 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.18 115.97 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -80.56 11.89 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.1 0.56 . . . . 99.99 111.745 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.6 168.66 17.18 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.829 0.851 . . . . 99.99 110.556 171.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.87 -30.79 70.36 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.58 0.752 . . . . 99.99 111.087 -176.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 62.72 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.281 1.432 . . . . 99.99 111.097 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 45.4 m -131.48 15.67 4.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.342 0.657 . . . . 99.99 111.654 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.49 82.87 4.72 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.204 0.602 . . . . 99.99 110.122 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 18.5 mm -116.7 32.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 107.69 -1.226 . . . . 99.99 107.69 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 m -76.22 89.01 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-N 114.677 -1.147 . . . . 99.99 112.224 -173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 61.29 92.7 0.06 OUTLIER Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 124.79 1.236 . . . . 99.99 113.382 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 128.41 20.35 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.04 1.827 . . . . 99.99 110.832 171.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.0 79.1 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.058 0.943 . . . . 99.99 110.902 -172.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -64.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.067 2.147 . . . . 99.99 107.239 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 58.29 -77.62 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.127 1.771 . . . . 99.99 112.695 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.44 100.5 26.45 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 108.579 -0.897 . . . . 99.99 108.579 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.24 92.68 1.12 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.689 2.26 . . . . 99.99 112.918 -173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 82.34 -71.92 2.9 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.986 -0.552 . . . . 99.99 112.461 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.31 101.08 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.452 1.501 . . . . 99.99 109.927 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 10.1 t -113.04 158.78 19.88 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.736 0.814 . . . . 99.99 109.283 174.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.45 -51.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.817 0.847 . . . . 99.99 109.083 -176.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -76.87 88.34 3.45 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.425 0.69 . . . . 99.99 111.369 -176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.496 HD22 ' H ' ' E' ' 412' ' ' LEU . 2.3 pt? -92.03 85.96 5.68 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.915 0.864 . . . . 99.99 108.967 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . 0.435 HD21 ' N ' ' E' ' 413' ' ' ASN . 0.0 OUTLIER -63.71 97.01 0.14 Allowed 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.102 -0.954 . . . . 99.99 111.141 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.5 p -91.02 50.99 1.87 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.765 0.826 . . . . 99.99 109.861 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -12.89 61.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.929 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.27 -7.38 58.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.861 0.864 . . . . 99.99 110.811 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.35 81.51 0.28 Allowed Glycine 0 C--N 1.357 1.735 0 O-C-N 123.655 0.597 . . . . 99.99 113.246 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -76.02 103.32 6.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.652 0.781 . . . . 99.99 109.151 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.28 -3.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.976 0.91 . . . . 99.99 111.788 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 25.1 ptm -152.2 -163.5 1.75 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.668 1.187 . . . . 99.99 107.938 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' E' ' 172' ' ' GLU . 26.9 m -53.0 132.47 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.299 0.639 . . . . 99.99 112.492 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -70.56 -28.76 65.15 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.682 0.793 . . . . 99.99 110.818 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 423' ' ' SER . . . . . 0.413 ' HA ' HD12 ' E' ' 218' ' ' LEU . 79.9 p -161.65 -166.91 1.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.256 1.022 . . . . 99.99 109.56 -173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . 0.417 ' HD2' ' HB3' ' E' ' 171' ' ' ALA . 86.8 m-85 -117.43 27.78 8.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 99.99 110.115 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 63.06 -134.05 43.15 Favored Glycine 0 C--N 1.355 1.632 0 CA-C-N 115.537 -0.756 . . . . 99.99 113.048 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.37 126.39 22.66 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.821 0.848 . . . . 99.99 109.622 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 18.1 p -86.32 -36.0 19.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.068 0.947 . . . . 99.99 109.33 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.6 141.19 50.02 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.706 -1.134 . . . . 99.99 109.431 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.53 -66.78 0.54 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 118.285 -0.864 . . . . 99.99 112.839 -169.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.47 -81.03 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.286 1.403 . . . . 99.99 111.164 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 46.4 m -104.27 -61.49 1.44 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.34 1.056 . . . . 99.99 110.394 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' E' ' 433' ' ' GLU . 11.6 pt20 -90.88 -66.17 0.95 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.016 -0.993 . . . . 99.99 111.591 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' E' ' 434' ' ' HIS . 4.4 tp10 164.33 -176.24 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.78 1.232 . . . . 99.99 108.14 -167.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . 0.413 ' H ' ' HG3' ' E' ' 433' ' ' GLU . 35.6 m170 -124.15 -168.22 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.902 0.881 . . . . 99.99 109.299 162.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m 76.23 137.48 0.06 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.36 1.464 . . . . 99.99 111.985 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -148.03 161.23 28.54 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 116.658 -0.246 . . . . 99.99 112.964 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 18.5 t -157.07 -33.76 0.08 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.471 1.108 . . . . 99.99 109.709 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.47 91.63 0.18 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.542 1.137 . . . . 99.99 109.6 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 65.13 112.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.13 1.372 . . . . 99.99 109.974 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.454 ' NH1' HD22 ' A' ' 75' ' ' LEU . 79.9 mtt180 -90.67 58.22 3.83 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.269 0.628 . . . . 99.99 111.188 -175.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 25.0 pt 46.06 21.1 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 C-N-CA 126.444 1.897 . . . . 99.99 115.714 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 66.28 133.89 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.03 1.332 . . . . 99.99 112.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -159.94 -168.19 2.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.434 1.094 . . . . 99.99 108.729 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 3.1 t80 69.85 101.19 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.811 1.245 . . . . 99.99 110.927 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -138.5 142.34 12.98 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-O 118.777 -1.013 . . . . 99.99 111.447 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.19 170.24 19.57 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.219 2.613 . . . . 99.99 113.056 -177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -113.58 -60.1 1.93 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.544 -0.539 . . . . 99.99 109.544 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 57.58 179.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.398 1.079 . . . . 99.99 112.553 -174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -172.31 -175.09 1.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.596 0.758 . . . . 99.99 110.391 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -90.17 166.97 13.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.941 0.896 . . . . 99.99 109.806 171.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 87.5 t 73.06 -61.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.347 1.459 . . . . 99.99 111.516 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.422 HG23 HD21 ' A' ' 98' ' ' LEU . 33.2 t -69.35 -66.2 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 108.366 -0.976 . . . . 99.99 108.366 171.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 73.0 -90.15 0.58 Allowed Glycine 0 C--N 1.357 1.726 0 O-C-N 123.916 0.76 . . . . 99.99 114.825 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.41 -87.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.307 1.443 . . . . 99.99 111.222 -171.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 455' ' ' THR . . . . . 0.471 HG22 ' H ' ' E' ' 456' ' ' ASP . 3.8 m 62.79 179.23 0.14 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.688 1.195 . . . . 99.99 110.667 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . 0.471 ' H ' HG22 ' E' ' 455' ' ' THR . 2.7 m-20 65.67 -90.33 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.866 1.266 . . . . 99.99 110.816 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -174.22 37.15 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.078 0.951 . . . . 99.99 109.726 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 26.9 m -53.87 115.01 1.78 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.152 0.981 . . . . 99.99 113.403 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.5 -146.56 0.38 Allowed 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.881 1.273 . . . . 99.99 111.55 167.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 69.73 -4.14 1.5 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.022 1.729 . . . . 99.99 113.241 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 56.37 -76.93 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.849 2.06 . . . . 99.99 114.489 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -95.33 170.56 9.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.111 1.764 . . . . 99.99 111.658 -168.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.5 p -146.13 120.15 9.41 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.758 1.223 . . . . 99.99 107.883 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.487 ' SD ' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -90.59 162.7 14.87 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.211 0.605 . . . . 99.99 112.301 -174.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -166.36 126.99 1.69 Allowed 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -149.8 -173.48 4.43 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.048 0.451 . . . . 99.99 111.43 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -123.94 163.77 20.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.447 1.099 . . . . 99.99 108.738 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 23.6 tp -74.09 -60.65 2.17 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 110.307 -0.257 . . . . 99.99 110.307 -175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.82 -88.12 0.5 Allowed Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.567 -0.574 . . . . 99.99 112.485 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.526 HD23 ' HB ' ' E' ' 133' ' ' THR . 69.8 mt 68.56 -176.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.088 1.355 . . . . 99.99 112.424 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 124.146 0.978 . . . . 99.99 108.969 175.899 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpp? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 58.78 -80.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.195 1.398 . . . . 99.99 111.022 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.78 -54.17 0.82 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.344 1.058 . . . . 99.99 108.294 172.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 64.91 9.68 5.57 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.084 1.354 . . . . 99.99 111.274 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.486 HD21 HG12 ' E' ' 451' ' ' VAL . 73.5 m-20 58.41 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.169 1.388 . . . . 99.99 110.942 -167.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 63.37 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.066 1.346 . . . . 99.99 110.659 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -79.86 169.9 17.26 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.06 0.944 . . . . 99.99 110.461 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 63.73 -87.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.706 1.202 . . . . 99.99 110.451 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 51.6 ttm -70.18 128.29 35.74 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.273 -0.64 . . . . 99.99 109.273 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' E' ' 451' ' ' VAL . 1.7 p -162.66 142.75 9.5 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.657 0.783 . . . . 99.99 110.655 -171.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -116.41 118.84 33.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.658 1.183 . . . . 99.99 107.986 173.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -135.59 135.5 40.32 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.684 0.794 . . . . 99.99 109.005 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 99.99 110.016 -167.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 34.4 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 17.02 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 50.99 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 18.45 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 13.15 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 6.92 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 22.19 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 43.73 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.686 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 63.88 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 73.6 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 99.99 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 50.91 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 67.81 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 99.99 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 81.17 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.737 ' HB2' HD12 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.23 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 75.11 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 32.98 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 27.21 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 28.74 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 35.81 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG12 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 19.33 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 29.68 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 25.47 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 80.58 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 99.99 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 40.21 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 30.66 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 59.79 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 30.86 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 20.96 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 21.28 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 51' ' ' LEU . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 80.87 108.469 171.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -80.46 101.31 8.99 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.0 tp -95.99 169.66 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.182 -1.044 . . . . 99.99 108.182 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 9' ' ' MET . . . -150.48 136.87 18.77 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.639 -0.696 . . . . 99.99 109.244 168.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.52 -11.07 66.94 Favored Glycine 0 CA--C 1.535 1.288 0 N-CA-C 116.435 1.334 . . . . 99.99 116.435 162.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.481 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 2.6 mp -118.02 147.35 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 CA-C-N 119.116 1.458 . . . . 99.99 109.329 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -149.74 173.02 14.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.743 0.817 . . . . 99.99 109.609 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.79 -155.95 50.15 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 114.463 0.545 . . . . 99.99 114.463 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 13.8 t -71.19 -31.75 68.02 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.959 0.504 . . . . 99.99 111.169 -176.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -35.41 77.39 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.183 0.593 . . . . 99.99 110.413 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.481 ' SD ' ' HB ' ' A' ' 89' ' ' ILE . 2.5 tpt -70.93 -45.71 63.75 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 168.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 92' ' ' THR . . . -62.63 -17.15 59.76 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.59 0.959 . . . . 99.99 113.59 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -82.51 -30.48 29.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.906 0.482 . . . . 99.99 111.1 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.441 ' SG ' HD22 ' E' ' 454' ' ' LEU . 35.6 t -62.87 -44.46 96.07 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.732 0.777 . . . . 99.99 109.295 166.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 94' ' ' MET . 8.2 mp -79.52 -10.26 59.77 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.874 -1.512 . . . . 99.99 112.471 -174.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 99.99 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 99.99 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 79.06 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 59.39 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 99.99 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 83.34 110.026 166.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 42.55 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.545 ' HZ ' HD11 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 17.98 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 13.2 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 36.0 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 15.85 111.08 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 19.0 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 5.43 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 18.83 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.459 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 22.63 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 6.65 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 88.83 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 51.92 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 39.96 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 11.33 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 32.89 111.398 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 19.39 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 30.18 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG12 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 90.79 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.545 HD11 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 93.81 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 77.99 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' E' ' 141' ' ' ALA . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 85.02 111.396 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.596 HG21 ' HB3' ' E' ' 462' ' ' TYR . 37.2 t -132.19 131.13 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.641 ' HB2' ' HB2' ' E' ' 460' ' ' LEU . 24.4 t-20 -91.33 98.84 11.95 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 173.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -87.0 -8.53 57.1 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.871 -1.059 . . . . 99.99 110.857 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.28 -48.24 73.87 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.488 1.115 . . . . 99.99 112.516 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.66 67.33 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.329 0.585 . . . . 99.99 110.714 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.66 -16.83 53.0 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.962 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -89.43 -22.82 22.34 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.231 1.012 . . . . 99.99 110.248 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 47.2 mtp -62.54 -34.7 77.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.784 0.434 . . . . 99.99 111.449 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -64.49 -20.4 66.18 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.372 0.269 . . . . 99.99 111.482 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -93.88 -31.21 14.42 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.095 0.958 . . . . 99.99 111.026 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -48.45 -40.24 25.55 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 125.591 1.556 . . . . 99.99 113.247 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 145' ' ' ALA . 6.2 tp-100 -144.84 21.6 1.62 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 109.012 -0.736 . . . . 99.99 109.012 -174.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 59.4 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.026 1.331 . . . . 99.99 111.838 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 64.51 16.04 9.99 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.11 1.364 . . . . 99.99 112.503 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 142' ' ' GLN . . . -79.42 69.18 5.62 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.879 0.847 . . . . 99.99 110.757 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.81 114.46 0.57 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.061 -1.215 . . . . 99.99 110.061 -175.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -81.8 -28.76 33.0 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 123.403 0.681 . . . . 99.99 110.578 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 117.19 -17.64 12.56 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.343 -0.844 . . . . 99.99 111.45 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.2 m -89.6 -72.25 0.57 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.604 0.762 . . . . 99.99 109.493 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 46.55 42.57 11.31 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.227 1.411 . . . . 99.99 111.509 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.64 -43.68 72.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.738 -1.119 . . . . 99.99 110.586 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 71.66 -63.02 0.44 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.39 1.476 . . . . 99.99 112.394 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 74.19 -68.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.324 1.449 . . . . 99.99 110.604 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -141.23 -7.98 1.02 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.043 0.937 . . . . 99.99 110.378 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.582 0.753 . . . . 99.99 109.518 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.437 -0.579 . . . . 99.99 109.437 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m 72.46 162.39 0.26 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.251 1.42 . . . . 99.99 112.263 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' E' ' 233' ' ' PHE . 2.7 mp0 -72.59 -30.83 64.72 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.606 -1.179 . . . . 99.99 109.849 176.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 54.64 117.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 127.205 2.202 . . . . 99.99 113.964 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.73 177.83 4.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.595 0.758 . . . . 99.99 110.927 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -81.33 124.62 29.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.744 0.818 . . . . 99.99 111.219 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.1 p -132.86 -55.15 0.93 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.905 0.882 . . . . 99.99 109.112 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 86.41 4.1 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.483 1.113 . . . . 99.99 108.339 173.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.603 ' HE2' HG13 ' B' ' 86' ' ' ILE . 0.0 OUTLIER 67.29 169.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.602 1.561 . . . . 99.99 111.973 179.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.521 ' N ' ' SD ' ' B' ' 9' ' ' MET . 8.6 t -151.95 115.04 4.7 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.001 0.92 . . . . 99.99 108.518 168.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.594 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 -150.26 144.07 25.34 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 99.99 112.013 -175.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 61.13 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 99.99 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 99.99 110.314 -171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 22.84 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 25.35 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 18.25 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 41.37 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.619 HD12 ' SG ' ' B' ' 113' ' ' CYS . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 15.07 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 29.37 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 11.41 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 27.88 110.073 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 51.27 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HE3' ' A' ' 19' ' ' LYS . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 99.99 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.533 ' HB2' ' HB2' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 99.89 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 99.99 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.526 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 99.99 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' E' ' 22' ' ' ARG . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 89.58 110.117 -168.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 50.34 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 99.99 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 44.59 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 98.19 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 93.17 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 98.7 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 99.99 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.598 HG11 HD21 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 85.08 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.54 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 32.75 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 89.85 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 99.99 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 30.69 107.756 174.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 50.25 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.547 HG22 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 27.1 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 27.69 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 28.91 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 82.69 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.539 ' HG ' ' HB3' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 84.99 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 91.81 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 39.53 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.539 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 37.29 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.506 ' HZ ' HD21 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 21.12 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 29.86 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 13.61 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 13.23 108.858 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 36.68 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 12.8 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 51.05 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 99.23 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.603 HG13 ' HE2' ' B' ' 9' ' ' MET . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 99.99 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.57 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.634 ' HE3' HD11 ' B' ' 98' ' ' LEU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.634 HD11 ' HE3' ' B' ' 94' ' ' MET . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 99.37 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 67.76 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 81.59 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.507 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 55.65 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 48.03 114.139 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 99.99 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 59.06 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 27.15 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 18.14 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 25.24 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.424 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 18.19 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 76.84 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 28.75 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.547 HG21 HG22 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 30.1 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 17.12 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.81 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 50.71 110.779 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 23.64 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 49.99 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 33.79 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 28.26 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 39.05 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.506 HD21 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 99.99 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 99.99 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 99.99 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' E' ' 304' ' ' PRO . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 64.44 110.09 175.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.61 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 75.43 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.99 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . 0.642 ' HB2' ' HB2' ' B' ' 135' ' ' ALA . 4.0 p-10 -83.42 70.69 10.25 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -68.67 -39.78 80.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.483 -1.235 . . . . 99.99 110.993 -172.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.667 ' HB2' ' HA ' ' E' ' 66' ' ' ASN . 7.8 p-10 -69.16 -42.88 75.33 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.202 1.001 . . . . 99.99 110.396 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . 0.642 ' HB2' ' HB2' ' B' ' 132' ' ' ASN . . . -73.45 -23.61 60.11 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.578 0.751 . . . . 99.99 111.701 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.2 -44.51 88.12 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.054 0.942 . . . . 99.99 109.401 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -76.43 -34.78 58.77 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 111.636 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.427 ' HE2' HD21 ' E' ' 66' ' ' ASN . 36.0 ttm -61.4 -39.04 89.27 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.716 0.806 . . . . 99.99 111.281 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . 0.622 ' HB3' ' H ' ' E' ' 78' ' ' SER . 12.8 m120 -75.02 -7.54 53.96 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.876 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -90.37 -33.72 15.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.635 0.374 . . . . 99.99 111.413 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.14 28.46 8.04 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.96 0.504 . . . . 99.99 111.404 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.22 -87.7 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 124.388 1.075 . . . . 99.99 112.721 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -163.7 -171.83 2.66 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.222 1.409 . . . . 99.99 109.151 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 75.54 148.09 0.1 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.791 1.636 . . . . 99.99 111.524 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.02 -65.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.622 1.569 . . . . 99.99 111.398 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.15 89.9 0.34 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.312 -0.404 . . . . 99.99 112.382 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.25 -179.88 5.33 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.409 0.684 . . . . 99.99 110.542 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -162.19 -145.6 4.38 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 116.379 -0.373 . . . . 99.99 112.695 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.3 t -74.9 -20.36 59.75 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.636 0.774 . . . . 99.99 111.065 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.33 129.62 48.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.87 0.868 . . . . 99.99 109.812 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -67.52 -42.98 81.89 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.124 0.969 . . . . 99.99 112.208 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 63.3 m80 64.22 73.56 0.43 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.613 1.165 . . . . 99.99 109.923 -170.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -90.14 17.9 6.51 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.699 0.799 . . . . 99.99 110.642 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.91 87.47 4.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 99.99 108.836 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.516 -0.754 . . . . 99.99 108.972 -176.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.417 0.151 . . . . 99.99 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -117.51 -162.15 0.85 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.195 0.998 . . . . 99.99 109.343 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.83 128.92 38.39 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -69.04 -70.35 0.28 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.324 0.65 . . . . 99.99 110.841 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 64.01 153.04 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.0 1.32 . . . . 99.99 112.77 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . 0.614 ' HB2' HE21 ' C' ' 93' ' ' GLN . 60.4 t30 -135.39 162.06 33.67 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.039 0.936 . . . . 99.99 108.604 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.481 HG22 ' H ' ' C' ' 8' ' ' GLU . 6.4 t -130.7 -69.74 0.64 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.09 0.556 . . . . 99.99 109.952 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.481 ' H ' HG22 ' C' ' 7' ' ' THR . 8.5 mp0 -117.72 -71.37 0.74 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.754 -0.832 . . . . 99.99 108.754 172.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.61 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 49.4 ttm 64.59 116.81 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.784 1.634 . . . . 99.99 111.496 -172.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 61.4 m -84.34 105.78 15.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.189 0.996 . . . . 99.99 109.485 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.432 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 -125.58 131.45 52.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.79 0.836 . . . . 99.99 109.961 -177.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.734 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.4 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 82.71 107.748 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 99.99 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 17.72 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.449 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 9.52 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.544 ' HE3' ' HB2' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 51.3 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.799 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.42 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 13.13 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 15.89 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 10.19 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 26.52 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 43.6 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 57.64 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.539 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 78.76 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.425 ' HE1' ' HD3' ' E' ' 303' ' ' LYS . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.675 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 99.99 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 72.29 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.564 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 99.99 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.564 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.719 HD12 HD13 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' E' ' 287' ' ' PRO . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 99.99 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 90.89 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 55.92 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' SER . . . . . 0.451 ' HB2' HH22 ' E' ' 440' ' ' ARG . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 78.18 110.144 -176.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 57.25 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 99.99 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 97.58 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 43.88 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 30.1 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 99.67 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.781 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.43 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 31.81 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.79 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.539 HG22 HD12 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 29.1 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 36.6 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 38.08 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 65.72 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 99.99 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 83.21 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 40.89 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.675 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 38.89 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 66.65 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 32.91 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 14.84 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.799 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 26.52 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 12.17 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.449 HG12 ' HE1' ' C' ' 17' ' ' TYR . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 39.17 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.734 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.04 125.67 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.81 -8.37 10.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.438 0.695 . . . . 99.99 110.354 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.61 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -72.67 83.09 0.58 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 123.511 0.507 . . . . 99.99 112.653 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 35.5 mm -77.36 129.04 37.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.681 0.793 . . . . 99.99 109.769 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' C' ' 93' ' ' GLN . 0.9 OUTLIER -147.35 -33.07 0.28 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.816 0.447 . . . . 99.99 110.025 -177.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.02 -106.92 3.47 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 110.638 -0.985 . . . . 99.99 110.638 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -59.39 -49.77 76.52 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.682 0.793 . . . . 99.99 112.57 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.614 HE21 ' HB2' ' C' ' 6' ' ' ASN . 9.3 tp60 -73.81 -32.0 63.52 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.232 0.213 . . . . 99.99 111.125 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.488 ' H ' ' HB3' ' C' ' 90' ' ' GLU . 24.7 ttt -55.82 -45.73 78.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.546 0.338 . . . . 99.99 110.108 170.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.96 60.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.735 1.214 . . . . 99.99 111.764 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -66.96 -52.69 39.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.337 0.655 . . . . 99.99 110.31 173.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.81 -36.5 72.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.821 -0.627 . . . . 99.99 111.524 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 81.7 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 68.22 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.443 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 85.73 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 52.77 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.65 HD11 HD21 ' E' ' 142' ' ' LEU . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 18.22 111.446 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 62.78 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 20.21 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 17.97 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.459 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 10.09 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 18.56 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 31.03 111.764 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.418 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 26.09 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.539 HD12 HG22 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 21.24 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 14.3 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 10.17 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.575 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 12.08 111.384 176.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 54.79 110.592 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 23.93 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 27.3 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.442 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 36.76 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 44.0 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.413 ' O ' HG23 ' E' ' 296' ' ' THR . 0.3 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . 0.402 HD13 HG22 ' E' ' 296' ' ' THR . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 92.07 111.369 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 43.42 109.01 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.719 HD13 HD12 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 64.09 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 45.54 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 40.22 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 98.11 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . 0.541 ' HA ' HD23 ' C' ' 136' ' ' LEU . 13.0 p90 -82.86 -1.9 53.26 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.94 -43.43 73.37 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.511 0.724 . . . . 99.99 111.862 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.43 83.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.657 0.783 . . . . 99.99 111.724 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' C' ' 133' ' ' PHE . 3.8 mm? -67.4 -21.2 65.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.08 0.952 . . . . 99.99 112.167 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . 0.423 ' HD2' ' SD ' ' E' ' 286' ' ' MET . 58.4 t80 -68.15 -35.55 78.27 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.316 0.647 . . . . 99.99 110.957 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.6 -42.43 22.25 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.437 0.695 . . . . 99.99 110.566 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -56.15 -30.91 62.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.64 1.576 . . . . 99.99 113.625 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -154.04 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.28 0 C-N-CA 124.779 1.232 . . . . 99.99 113.702 -171.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 72.57 -67.51 0.26 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.768 1.627 . . . . 99.99 109.793 173.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.59 -34.01 77.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.909 0.883 . . . . 99.99 110.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 76.67 -52.57 0.58 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.668 1.587 . . . . 99.99 111.372 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 72.46 -72.84 0.11 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.557 1.543 . . . . 99.99 110.363 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.85 138.74 25.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.745 0.818 . . . . 99.99 108.994 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.02 26.55 0.44 Allowed Glycine 0 C--N 1.338 0.663 0 N-CA-C 111.866 -0.494 . . . . 99.99 111.866 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.1 134.86 38.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.237 0.615 . . . . 99.99 109.682 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.96 42.11 0.59 Allowed Glycine 0 C--N 1.337 0.639 0 N-CA-C 111.326 -0.709 . . . . 99.99 111.326 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 15.3 t -72.72 135.53 45.37 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.153 0.581 . . . . 99.99 109.877 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 66.49 144.92 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.259 1.424 . . . . 99.99 110.864 -170.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.05 -35.2 0.71 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.315 0.646 . . . . 99.99 109.752 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 70.4 t60 70.81 -3.58 1.94 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.758 1.223 . . . . 99.99 112.25 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.6 83.61 6.77 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.532 1.133 . . . . 99.99 108.335 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -78.77 -64.47 1.17 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.824 0.85 . . . . 99.99 111.226 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.462 0.705 . . . . 99.99 109.187 177.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.686 -0.487 . . . . 99.99 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t 60.95 -104.14 0.17 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 118.057 -0.973 . . . . 99.99 108.509 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 37.0 45.72 0.46 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 126.039 1.736 . . . . 99.99 114.553 163.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 57.75 71.5 0.57 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.469 1.108 . . . . 99.99 111.845 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 63.62 36.24 11.05 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.014 0.925 . . . . 99.99 112.259 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.69 80.29 2.04 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.654 0.782 . . . . 99.99 110.871 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -159.01 177.51 11.05 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.15 1.78 . . . . 99.99 108.133 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 64.99 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.666 1.186 . . . . 99.99 110.379 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.578 ' HE1' HD12 ' D' ' 89' ' ' ILE . 25.6 ttt -32.19 124.74 0.3 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.031 1.332 . . . . 99.99 113.792 175.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' THR . . . . . 0.404 HG22 ' HA ' ' E' ' 81' ' ' THR . 86.9 m -102.7 122.44 44.45 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 174.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.514 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 79.57 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.515 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 99.99 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.61 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 81.0 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.447 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 28.79 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 14.92 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB2' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 58.5 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.575 HG21 ' HE1' ' C' ' 117' ' ' MET . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 14.63 107.789 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.439 ' N ' HG23 ' D' ' 21' ' ' ILE . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 15.53 110.296 177.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 6.05 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 14.28 108.151 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 16.78 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.544 ' HB2' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 22.87 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.404 ' HB3' HD11 ' C' ' 83' ' ' ILE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 21.13 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . 0.434 ' HE1' ' HB3' ' E' ' 429' ' ' GLU . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 30.2 110.365 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 64.18 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.56 ' HZ2' ' HB3' ' D' ' 71' ' ' GLU . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 34.41 109.965 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 54.02 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 34.31 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 83.42 106.315 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' E' ' 116' ' ' GLY . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.502 HD22 HG12 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 99.99 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.704 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.447 HD21 HD22 ' E' ' 111' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 97.22 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.455 ' HA ' ' HB2' ' E' ' 110' ' ' ALA . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 99.99 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 62.54 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 55.71 111.835 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 61.91 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.99 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 93.38 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 99.99 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 99.99 110.349 -168.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.689 HG23 HD11 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 71.26 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 36.06 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 79.92 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . 0.502 HG12 HD22 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 22.5 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.704 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 23.18 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 24.43 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 32.61 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 25.12 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 49.15 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 32.34 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 33.15 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' E' ' 424' ' ' TYR . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.56 ' HB3' ' HZ2' ' D' ' 34' ' ' LYS . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 19.1 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.483 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 12.32 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 8.66 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 19.44 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 10.02 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.479 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 29.4 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.415 ' O ' HD11 ' D' ' 106' ' ' LEU . 7.1 tp-100 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.3 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 65.32 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 99.99 109.701 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' D' ' 11' ' ' PHE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 99.99 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . 0.498 ' HB3' ' HA3' ' E' ' 96' ' ' GLY . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.578 HD12 ' HE1' ' D' ' 9' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.474 ' HA ' HD13 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' E' ' 102' ' ' LEU . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 99.99 112.479 -171.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 99.99 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.689 HD11 HG23 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 70.12 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 64.46 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 46.86 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 45.41 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 38.42 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 87.71 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 35.35 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.415 HD11 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 21.86 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 12.38 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 8.42 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 15.0 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 17.35 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.501 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 12.17 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.56 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.635 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 19.17 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 19.58 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 14.23 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 6.04 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.442 HG22 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 19.19 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 16.36 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 7.12 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 35.79 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 27.88 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 17.97 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 33.77 110.745 -174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 99.99 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.592 HD12 HD13 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 35.86 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 48.78 111.137 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.501 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 48.18 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 95.86 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . 0.657 ' HB2' ' HB2' ' E' ' 70' ' ' LEU . 60.2 t30 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 -62.41 -28.04 69.51 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.03 64.33 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.102 0.41 . . . . 99.99 111.223 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.419 HD22 HD21 ' E' ' 111' ' ' LEU . 2.2 mm? -85.23 -42.06 15.03 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.536 0.734 . . . . 99.99 110.429 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' D' ' 134' ' ' ASP . 48.1 m-85 -65.73 -59.52 3.82 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.228 0.611 . . . . 99.99 112.28 -177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.426 ' HE2' ' HA2' ' E' ' 72' ' ' GLY . 20.0 ptp -45.68 -37.24 5.56 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.521 1.128 . . . . 99.99 112.614 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.57 -50.48 62.98 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.735 0.814 . . . . 99.99 110.433 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.523 ' HD1' ' HB2' ' D' ' 150' ' ' GLU . 48.4 t80 -64.85 -52.74 55.03 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.594 0.559 . . . . 99.99 110.836 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.56 -36.84 72.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.595 1.158 . . . . 99.99 113.484 -170.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.75 -0.23 20.23 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 112.86 0.689 . . . . 99.99 112.86 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -139.53 95.29 2.9 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.911 0.862 . . . . 99.99 109.524 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -136.92 166.75 22.91 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.788 0.835 . . . . 99.99 109.646 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.38 17.12 4.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.348 1.459 . . . . 99.99 111.156 -171.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -143.96 101.15 0.25 Allowed Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.258 -0.737 . . . . 99.99 111.258 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 65.17 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.415 1.486 . . . . 99.99 112.739 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.9 173.02 12.8 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 112.125 -0.39 . . . . 99.99 112.125 -174.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 149' ' ' THR . . . . . 0.436 HG23 ' HG3' ' D' ' 151' ' ' GLU . 26.1 m 71.77 -66.5 0.3 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.955 1.302 . . . . 99.99 110.16 -172.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . 0.523 ' HB2' ' HD1' ' D' ' 140' ' ' TYR . 34.8 mm-40 55.03 24.49 6.04 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.005 1.483 . . . . 99.99 115.005 165.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' D' ' 149' ' ' THR . 0.0 OUTLIER -59.29 -38.4 80.1 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.536 0.607 . . . . 99.99 110.106 174.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -176.79 -15.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 99.99 109.574 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 65.51 18.41 11.26 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.175 1.39 . . . . 99.99 111.255 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.7 -80.99 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.937 0.895 . . . . 99.99 109.979 -175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.519 0.727 . . . . 99.99 109.305 -177.121 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.362 0.125 . . . . 99.99 111.087 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.472 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 1.7 tmtp? -146.52 111.23 5.24 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.603 -1.628 . . . . 99.99 106.603 169.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.472 ' HG3' ' HD3' ' E' ' 2' ' ' LYS . 98.7 mt-30 63.37 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.168 1.387 . . . . 99.99 112.723 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -170.81 83.13 0.09 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.184 1.394 . . . . 99.99 108.004 171.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 37.6 m -70.03 89.42 0.61 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.573 0.749 . . . . 99.99 109.428 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' E' ' 304' ' ' PRO . 1.4 tp 76.06 136.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 126.326 1.85 . . . . 99.99 109.231 -165.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.8 -81.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 99.99 109.374 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 57.11 99.27 0.02 OUTLIER 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.8 1.24 . . . . 99.99 109.832 -170.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 131.77 49.5 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.156 -0.475 . . . . 99.99 109.822 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.445 HD11 HD13 ' E' ' 59' ' ' LEU . 4.9 mp -84.11 53.89 2.76 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.596 -0.52 . . . . 99.99 109.596 -179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 66.55 162.78 0.13 Allowed Pre-proline 0 C--N 1.37 1.494 0 C-N-CA 125.58 1.552 . . . . 99.99 112.303 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.83 39.77 0.79 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.119 2.546 . . . . 99.99 113.071 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.437 ' HA ' ' HE2' ' E' ' 65' ' ' LYS . 28.9 tp 59.58 -81.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.992 1.717 . . . . 99.99 111.995 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -77.67 -28.63 51.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.645 1.178 . . . . 99.99 111.414 -171.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.73 -145.1 0.37 Allowed 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 106.319 -1.734 . . . . 99.99 106.319 -169.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -145.94 127.55 7.61 Favored Pre-proline 0 N--CA 1.495 1.788 0 CA-C-O 117.349 -1.31 . . . . 99.99 108.971 169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_exo -21.87 69.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.629 1 C-N-CA 127.244 5.296 . . . . 99.99 118.069 -172.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.423 HG12 HG23 ' B' ' 86' ' ' ILE . 2.4 t 53.42 23.26 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 127.156 2.183 . . . . 99.99 113.38 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -152.45 117.38 5.13 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.346 -0.846 . . . . 99.99 109.176 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 57.73 -171.22 0.1 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.909 1.283 . . . . 99.99 112.296 -169.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.91 -41.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.108 0.963 . . . . 99.99 109.588 173.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' B' ' 46' ' ' THR . 9.3 mmm180 -85.5 168.0 14.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.082 -0.963 . . . . 99.99 110.072 173.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -56.05 129.97 73.35 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 123.921 0.888 . . . . 99.99 110.417 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.32 118.64 5.63 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 121.354 1.369 . . . . 99.99 112.301 -170.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 161.61 140.36 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 127.451 2.3 . . . . 99.99 108.336 174.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 175.66 -46.21 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.716 1.206 . . . . 99.99 110.647 -170.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.35 167.74 0.51 Allowed 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 123.064 2.509 . . . . 99.99 115.738 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t 68.09 -69.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.137 0 C-N-CA 125.528 1.531 . . . . 99.99 110.116 -172.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -160.01 -48.56 0.05 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.032 0.533 . . . . 99.99 110.238 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 175.93 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.326 1.45 . . . . 99.99 107.367 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 55.95 -93.63 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.47 1.108 . . . . 99.99 110.857 -175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -164.2 47.93 0.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 70.75 -70.36 0.16 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.594 1.557 . . . . 99.99 110.075 -172.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 113.87 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.432 -0.951 . . . . 99.99 108.432 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -130.48 131.87 45.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.196 0.598 . . . . 99.99 110.142 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -80.5 1.57 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.567 0.542 . . . . 99.99 112.902 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.46 97.42 5.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.369 0.668 . . . . 99.99 109.371 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 47.0 mm 55.63 83.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.946 1.299 . . . . 99.99 112.002 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -82.34 -26.76 32.68 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.652 -0.704 . . . . 99.99 110.622 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.56 108.93 53.82 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.352 -0.981 . . . . 99.99 108.352 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.38 -35.39 61.91 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.946 2.431 . . . . 99.99 112.903 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.33 -76.86 1.44 Allowed Glycine 0 C--N 1.348 1.243 0 N-CA-C 110.922 -0.871 . . . . 99.99 110.922 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.9 156.89 27.14 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.5 14.3 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.556 0.743 . . . . 99.99 110.544 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 66.37 -179.28 0.2 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.321 1.448 . . . . 99.99 111.446 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -125.31 176.11 6.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.5 0.72 . . . . 99.99 109.781 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 67.2 mt 62.73 -160.18 0.31 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 124.494 1.121 . . . . 99.99 110.105 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 22.7 m 63.47 80.39 0.23 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.809 0.844 . . . . 99.99 110.978 176.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.458 ' HA2' ' HE ' ' E' ' 56' ' ' ARG . . . 143.52 -26.76 2.11 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 115.505 -0.771 . . . . 99.99 112.262 -176.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 56.84 47.3 18.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.882 1.273 . . . . 99.99 110.416 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.96 -16.17 6.37 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.757 1.623 . . . . 99.99 114.886 -164.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 68.7 p -85.27 -62.86 1.43 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 122.761 0.424 . . . . 99.99 111.332 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.9 -55.94 3.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.377 0.671 . . . . 99.99 112.158 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.93 40.58 1.99 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.911 0.884 . . . . 99.99 110.865 -168.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.779 ' HB3' ' HD3' ' E' ' 373' ' ' ARG . 7.6 tt -51.95 117.83 3.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.165 1.386 . . . . 99.99 110.865 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . 0.458 ' HE ' ' HA2' ' E' ' 49' ' ' GLY . 36.7 mtm180 -79.79 116.36 19.91 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.972 0.795 . . . . 99.99 109.923 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.37 141.42 28.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.407 0.683 . . . . 99.99 109.98 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.8 p -69.51 85.84 0.44 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.871 0.868 . . . . 99.99 110.714 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . 0.445 HD13 HD11 ' E' ' 10' ' ' LEU . 9.9 tp -130.23 123.54 30.42 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.319 1.047 . . . . 99.99 108.59 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 60' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' E' ' 314' ' ' ARG . 13.8 m -64.08 -44.75 91.43 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.795 1.238 . . . . 99.99 112.289 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . 0.493 ' HB3' ' NH1' ' E' ' 314' ' ' ARG . 29.8 t70 77.32 -43.44 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.566 1.547 . . . . 99.99 112.972 175.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.571 ' HG2' HH11 ' E' ' 314' ' ' ARG . 13.5 mmmm -81.64 -169.06 0.21 Allowed Pre-proline 0 CA--C 1.588 2.421 0 CA-C-O 116.537 -1.697 . . . . 99.99 110.062 178.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -4.03 102.34 0.0 OUTLIER 'Trans proline' 1 C--N 1.423 4.497 1 C-N-CA 125.308 4.006 . . . . 99.99 117.247 -147.028 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 143.42 56.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.316 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' E' ' 13' ' ' LEU . 18.1 pttp -154.54 142.11 19.8 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.862 1.265 . . . . 99.99 109.897 -165.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.667 ' HA ' ' HB2' ' B' ' 134' ' ' ASP . 18.9 p-10 -153.39 169.5 22.98 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.034 0.533 . . . . 99.99 112.313 -176.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.556 HD11 HD13 ' E' ' 69' ' ' LEU . 17.4 tt -88.73 148.22 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 109.599 -0.519 . . . . 99.99 109.599 170.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.5 mt -108.97 -101.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . 0.556 HD13 HD11 ' E' ' 67' ' ' ILE . 94.2 mt 50.07 29.5 3.57 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.334 1.054 . . . . 99.99 112.878 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' D' ' 132' ' ' ASN . 1.5 pt? -143.3 151.62 40.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.679 0.391 . . . . 99.99 110.76 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.46 105.98 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . 0.426 ' HA2' ' HE2' ' D' ' 138' ' ' MET . . . 175.9 179.43 46.39 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 120.131 -0.261 . . . . 99.99 112.74 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.6 154.04 18.59 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.593 0.757 . . . . 99.99 109.723 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.48 103.4 2.18 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.054 -0.521 . . . . 99.99 113.321 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 83.7 mtp -118.99 98.9 6.41 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.167 0.587 . . . . 99.99 110.069 174.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.25 88.72 0.07 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -118.61 85.02 2.28 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 122.363 1.078 . . . . 99.99 110.494 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 78' ' ' SER . . . . . 0.622 ' H ' ' HB3' ' B' ' 139' ' ' ASN . 35.9 m -69.03 -8.01 40.94 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.904 1.682 . . . . 99.99 114.714 -172.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -43.31 -46.36 6.32 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 125.348 1.459 . . . . 99.99 113.263 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 tt -95.63 131.76 41.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.766 -0.827 . . . . 99.99 108.766 169.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 81' ' ' THR . . . . . 0.404 ' HA ' HG22 ' D' ' 10' ' ' THR . 88.7 m -118.69 104.01 10.21 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.862 -0.792 . . . . 99.99 108.862 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 138.11 58.2 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.718 0.636 . . . . 99.99 110.205 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.54 -178.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.773 1.229 . . . . 99.99 113.601 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -0.55 1.63 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.006 0.522 . . . . 99.99 112.0 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -75.82 81.12 2.74 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 122.053 0.93 . . . . 99.99 111.304 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -171.92 156.2 4.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.424 1.49 . . . . 99.99 108.458 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 76.38 -45.08 0.5 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.5 1.52 . . . . 99.99 112.874 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.16 76.75 0.09 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.155 1.382 . . . . 99.99 111.927 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.47 -72.02 1.5 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.587 -0.733 . . . . 99.99 111.694 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -147.15 -63.58 0.28 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.54 1.136 . . . . 99.99 108.095 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.42 -77.07 1.43 Allowed Glycine 0 C--N 1.356 1.651 0 CA-C-N 115.441 -0.8 . . . . 99.99 112.021 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 165.97 -140.32 6.29 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.152 -1.179 . . . . 99.99 110.152 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -136.47 157.17 47.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.671 0.788 . . . . 99.99 109.219 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -71.85 114.08 9.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.967 0.507 . . . . 99.99 110.459 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 122.23 20.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.198 0.599 . . . . 99.99 110.748 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' HB3' ' D' ' 87' ' ' ALA . . . -152.86 -51.54 0.01 OUTLIER Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.011 -0.836 . . . . 99.99 111.011 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.48 HD12 HG12 ' D' ' 86' ' ' ILE . 39.1 pt -109.14 109.88 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 CA-C-O 122.283 1.04 . . . . 99.99 111.253 176.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -107.46 153.19 23.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.78 1.232 . . . . 99.99 108.688 173.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.79 71.69 0.45 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.225 0.953 . . . . 99.99 110.024 -171.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 54.3 tp -115.48 87.92 18.16 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.205 1.002 . . . . 99.99 108.306 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.84 2.56 6.49 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.074 2.516 . . . . 99.99 111.532 171.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.547 HD11 HD13 ' D' ' 98' ' ' LEU . 1.5 tt 71.13 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.873 1.669 . . . . 99.99 109.245 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -177.21 -37.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 126.606 1.962 . . . . 99.99 106.785 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.62 162.52 36.02 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 113.893 -1.503 . . . . 99.99 109.484 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -76.89 -68.23 0.63 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -95.09 119.58 33.85 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.528 -0.916 . . . . 99.99 108.528 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 23.8 m -71.66 86.63 0.92 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.082 0.553 . . . . 99.99 109.919 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -75.63 86.38 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.389 0.614 . . . . 99.99 109.925 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 51.8 t80 175.29 -38.47 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.121 1.769 . . . . 99.99 108.024 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' D' ' 45' ' ' ASP . . . 67.96 -141.82 0.11 Allowed 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.843 1.34 . . . . 99.99 109.19 -172.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.447 HD22 HD21 ' D' ' 44' ' ' LEU . 6.2 mp -103.39 -69.23 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 170.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -109.94 16.53 21.88 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.111 -0.95 . . . . 99.99 109.803 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 67.97 145.11 0.04 OUTLIER 'General case' 0 C--N 1.372 1.55 0 C-N-CA 124.735 1.214 . . . . 99.99 111.834 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -74.02 83.8 1.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 108.039 -1.097 . . . . 99.99 108.039 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 96.3 m -153.51 144.31 22.7 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.804 1.242 . . . . 99.99 107.987 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' D' ' 41' ' ' LYS . . . -80.32 40.6 2.39 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.392 0.432 . . . . 99.99 113.491 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.26 73.83 36.59 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.69 150.75 12.94 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 123.016 2.477 . . . . 99.99 111.124 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.21 -67.55 0.84 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.733 0.413 . . . . 99.99 111.722 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -88.96 -30.24 18.94 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.732 0.813 . . . . 99.99 111.646 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . 0.431 HG21 HD23 ' D' ' 44' ' ' LEU . 10.7 p -105.22 30.69 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.521 0 C-N-CA 125.165 1.386 . . . . 99.99 109.658 -172.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -78.94 -7.91 58.42 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.286 -0.87 . . . . 99.99 111.856 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -133.56 154.48 50.83 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.846 0.858 . . . . 99.99 110.065 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 124' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' D' ' 128' ' ' LEU . 38.9 t -138.3 -47.3 0.52 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.34 1.056 . . . . 99.99 109.973 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.39 -163.41 0.27 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.172 0.989 . . . . 99.99 111.537 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 64.29 75.32 0.38 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.414 1.086 . . . . 99.99 111.852 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 9.8 p -159.7 113.94 2.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.189 -0.914 . . . . 99.99 110.801 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.8 122.18 4.25 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 99.95 111.471 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.3 t 177.13 169.45 0.56 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.825 1.65 . . . . 99.99 109.211 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.37 162.07 41.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.515 0.726 . . . . 99.99 110.448 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -132.41 127.53 35.58 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.799 0.84 . . . . 99.99 110.31 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 45.2 t -168.58 90.28 0.25 Allowed 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.126 -1.064 . . . . 99.99 108.126 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 19.6 m -148.52 144.41 27.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.16 0.584 . . . . 99.99 110.509 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.59 163.26 26.52 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.193 -0.763 . . . . 99.66 111.193 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 32.2 m -129.43 163.85 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.02 0.928 . . . . 99.99 108.885 174.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . 0.487 ' HB2' ' SD ' ' E' ' 464' ' ' MET . 4.4 mptp? -106.66 -167.42 1.28 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.113 0.565 . . . . 99.99 109.808 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.431 HG22 ' HD1' ' E' ' 138' ' ' TYR . 22.1 m 76.75 125.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.944 1.698 . . . . 99.99 110.032 -177.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . 0.431 ' HD1' HG22 ' E' ' 137' ' ' THR . 29.4 p90 23.58 74.4 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 126.128 1.771 . . . . 99.99 114.707 -170.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 64.68 -83.51 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.461 1.504 . . . . 99.99 111.349 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -121.32 6.33 10.8 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 119.571 -0.572 . . . . 99.99 113.171 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 130' ' ' PRO . . . 56.64 -87.34 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.23 1.412 . . . . 99.99 113.172 173.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . 0.65 HD21 HD11 ' C' ' 105' ' ' ILE . 7.6 tp -166.74 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.19 0.996 . . . . 99.99 108.405 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.22 -110.39 3.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 114.888 -1.051 . . . . 99.99 112.608 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.74 157.8 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.574 0.75 . . . . 99.99 110.823 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -148.35 106.39 3.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.245 1.018 . . . . 99.99 108.509 168.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 9.3 tt -179.41 89.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.202 -1.777 . . . . 99.99 106.202 171.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -141.18 136.85 32.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.079 -0.509 . . . . 99.99 111.296 -169.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -135.84 99.56 4.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.443 -1.317 . . . . 99.99 107.443 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 99.49 4.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.051 0.929 . . . . 99.99 109.096 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.23 156.72 41.42 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.023 -0.99 . . . . 99.99 109.346 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 30.4 m80 55.09 38.96 0.51 Allowed Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.583 1.153 . . . . 99.99 112.566 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.42 -35.85 96.79 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.571 2.181 . . . . 99.99 113.407 -161.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 41.0 p -57.84 -47.9 81.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.469 1.107 . . . . 99.99 112.579 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 25.9 pt -77.79 -19.51 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 111.596 0.221 . . . . 99.99 111.596 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.23 -36.22 47.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.977 0.511 . . . . 99.99 110.74 175.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -80.86 76.03 7.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.536 0.735 . . . . 99.99 111.056 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.5 ' HB3' ' HB2' ' E' ' 160' ' ' ALA . 67.8 mtm 63.85 -75.75 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.962 1.305 . . . . 99.99 111.092 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 65.1 -74.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.744 1.618 . . . . 99.99 111.762 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -62.38 -45.51 92.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.124 0.969 . . . . 99.99 110.04 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' E' ' 157' ' ' MET . . . -64.14 -52.69 57.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.791 0.837 . . . . 99.99 111.488 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 62.97 -76.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.948 1.299 . . . . 99.99 112.26 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -152.2 143.52 10.48 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 110.608 -0.997 . . . . 99.99 110.608 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 pp -154.2 -169.49 3.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.303 0.641 . . . . 99.99 110.654 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 81.62 -3.26 1.61 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.944 1.698 . . . . 99.99 113.148 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 67.0 p 48.56 33.71 4.33 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.355 1.462 . . . . 99.99 113.312 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 108.16 130.34 6.22 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.611 -175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -81.98 -55.0 4.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.262 0.625 . . . . 99.99 109.447 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.53 -37.97 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.941 0.896 . . . . 99.99 110.133 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m 64.4 12.86 7.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.64 1.176 . . . . 99.99 111.816 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 77.1 p 47.37 30.8 1.64 Allowed 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.69 1.596 . . . . 99.99 113.079 -173.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.03 95.78 8.67 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.809 0.844 . . . . 99.99 109.601 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.18 -61.94 1.63 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.136 0.975 . . . . 99.99 109.849 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.88 86.88 0.99 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.837 0.855 . . . . 99.99 109.306 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -100.78 178.18 4.77 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.203 1.001 . . . . 99.99 109.7 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.83 -74.37 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.407 0.442 . . . . 99.99 109.941 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 54.37 22.28 3.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.487 1.115 . . . . 99.99 113.309 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 84.2 m -95.71 108.69 41.72 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.914 0.886 . . . . 99.99 109.553 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.46 -4.37 15.2 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.676 2.251 . . . . 99.99 112.745 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 72.23 -66.42 0.31 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.735 1.614 . . . . 99.99 110.673 -174.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 58.24 29.04 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.388 1.075 . . . . 99.99 111.233 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 63.9 tp -92.02 127.84 37.64 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.329 -0.851 . . . . 99.99 109.77 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 17.2 m -64.85 119.73 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 O-C-N 123.715 0.634 . . . . 99.99 110.279 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -165.08 -45.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.778 0.831 . . . . 99.99 109.274 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.3 t60 68.22 -71.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.34 1.456 . . . . 99.99 111.084 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 67.7 t 67.53 -72.17 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 125.498 1.519 . . . . 99.99 113.666 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . 0.257 13.6 t 47.46 85.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.171 1.388 . . . . 99.99 110.678 -167.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 23.3 t -57.27 -66.06 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 114.412 -1.267 . . . . 99.99 112.478 -165.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 100.19 10.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.047 -0.723 . . . . 99.99 109.047 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -88.15 -54.22 4.32 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.205 1.002 . . . . 99.99 109.099 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 74.7 m -153.34 27.95 0.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.462 1.105 . . . . 99.99 109.393 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -81.93 78.11 8.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.769 0.795 . . . . 99.99 109.554 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 174.67 80.39 0.05 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-N 113.962 -1.472 . . . . 99.99 110.14 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.29 137.65 71.52 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.693 2.929 . . . . 99.99 113.247 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 46.6 p -139.53 178.17 7.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.897 0.879 . . . . 99.99 110.396 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.23 79.58 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.898 0.879 . . . . 99.99 112.06 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 25.0 p -103.79 93.72 5.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.662 0.785 . . . . 99.99 109.674 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 52.4 p -146.7 -66.03 0.28 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.6 0.76 . . . . 99.99 109.904 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.526 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 5.2 pt-20 -155.91 -93.57 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.838 0.855 . . . . 99.99 110.242 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.526 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 36.0 ttpt -176.32 -58.53 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.302 1.041 . . . . 99.99 108.725 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 78.1 m 66.1 118.81 0.02 OUTLIER Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 125.47 1.508 . . . . 99.99 110.87 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.38 -29.0 54.39 Favored 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.451 2.101 . . . . 99.99 112.662 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 71.93 17.6 77.08 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 123.574 0.546 . . . . 99.99 113.333 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.77 78.67 1.85 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.828 0.823 . . . . 99.99 109.899 -172.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -159.47 171.68 19.27 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 114.571 -1.195 . . . . 99.99 109.346 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 55.7 tp 72.87 -65.21 0.37 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.319 1.448 . . . . 99.99 111.273 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 67.17 -75.42 0.06 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.916 1.286 . . . . 99.99 110.256 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' E' ' 215' ' ' GLU . 0.0 OUTLIER -122.34 -48.49 2.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 86.6 -57.69 4.69 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.166 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -80.33 -5.72 89.61 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-O 119.425 -0.653 . . . . 99.99 113.119 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 73.0 -76.27 0.07 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 124.674 1.189 . . . . 99.99 111.885 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -85.16 76.48 2.21 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 114.584 0.594 . . . . 99.99 114.584 -170.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 22.6 t 59.32 24.16 12.66 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.503 1.121 . . . . 99.99 112.917 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 8.6 tp -126.69 149.35 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.129 0.571 . . . . 99.99 109.5 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.0 t 54.6 48.08 21.19 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.422 1.889 . . . . 99.99 111.501 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . 0.5 ' HA ' ' HE3' ' E' ' 207' ' ' LYS . 1.3 mp0 -75.14 -11.21 60.03 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 113.462 -1.699 . . . . 99.99 112.673 -174.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.88 -53.52 15.46 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.024 0.828 . . . . 99.99 111.561 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' E' ' 219' ' ' ASN . 2.3 tt 69.67 -64.73 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 99.99 111.606 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 80.12 85.5 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.395 1.878 . . . . 99.99 107.417 -170.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' E' ' 217' ' ' LEU . 58.1 t30 -141.18 164.72 29.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 113.594 -1.639 . . . . 99.99 107.889 -173.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 65.2 102.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.171 0.988 . . . . 99.99 110.562 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.64 0.99 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.95 0.5 . . . . 99.99 110.546 -173.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.87 -76.38 0.07 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.148 1.379 . . . . 99.99 110.234 -171.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 67.55 -61.11 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.661 1.585 . . . . 99.99 114.462 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.5 120.63 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 123.85 0.86 . . . . 99.99 111.84 -174.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 30.3 m -131.23 121.33 24.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 99.99 105.924 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.75 -38.32 87.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.886 0.474 . . . . 99.99 110.215 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 77.54 -72.6 2.16 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.175 -0.921 . . . . 99.99 112.639 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 85.89 -60.35 4.64 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 110.61 -0.996 . . . . 99.99 110.61 -174.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 166.85 165.65 24.6 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.558 -1.017 . . . . 99.99 110.558 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -77.64 73.82 4.21 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . 0.612 ' HG3' HG23 ' E' ' 409' ' ' THR . 0.2 OUTLIER -89.72 -61.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.405 1.082 . . . . 99.99 108.285 -173.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.0 t 50.73 172.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.802 2.041 . . . . 99.99 113.672 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . 0.525 ' HB2' ' HG2' ' B' ' 3' ' ' GLU . 54.7 t80 -84.99 -57.56 3.05 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.492 -0.755 . . . . 99.99 109.207 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.94 0.09 Allowed 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.555 1.159 . . . . 99.99 112.178 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' E' ' 237' ' ' ALA . 40.6 tt0 -78.94 100.97 7.49 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.775 -1.194 . . . . 99.99 107.775 169.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 28.0 m -64.14 -40.46 96.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.501 0.72 . . . . 99.99 110.182 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' E' ' 235' ' ' GLU . . . 57.04 60.35 3.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.909 1.284 . . . . 99.99 111.938 172.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 24.1 p -83.16 58.67 4.56 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.605 -0.725 . . . . 99.99 110.524 177.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -162.79 -80.68 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.187 0.995 . . . . 99.99 108.472 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 64.41 -151.95 50.04 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.388 0.43 . . . . 99.99 113.357 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -93.45 77.42 4.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -35.81 6.24 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.633 -0.712 . . . . 99.99 112.125 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -166.0 128.82 2.02 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.181 0.592 . . . . 99.99 110.397 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -85.47 134.09 12.31 Favored Glycine 0 C--N 1.346 1.131 0 CA-C-O 119.519 -0.601 . . . . 99.99 111.641 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.07 115.38 2.39 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.013 0.925 . . . . 99.99 111.317 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 74.4 m 80.02 -50.5 0.36 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.765 1.626 . . . . 99.99 112.496 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.0 mm? -62.4 -18.87 62.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.488 0.715 . . . . 99.99 112.266 -177.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.672 ' HG3' ' HG3' ' E' ' 249' ' ' GLU . 28.1 ptt180 -61.79 -36.72 81.91 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.452 1.101 . . . . 99.99 113.016 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.672 ' HG3' ' HG3' ' E' ' 248' ' ' ARG . 47.9 mt-10 -84.0 -19.75 33.98 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.732 1.012 . . . . 99.99 113.732 -168.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 21.0 pt20 -72.69 -17.17 61.66 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.0 0.364 . . . . 99.99 110.973 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.569 1.148 . . . . 99.99 112.588 176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.55 -34.14 10.89 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.721 1.208 . . . . 99.99 113.134 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.29 67.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.406 0.683 . . . . 99.99 112.204 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -127.33 -160.14 0.98 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.08 0.952 . . . . 99.99 109.991 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 91.37 -94.67 1.97 Allowed Glycine 0 C--N 1.349 1.272 0 CA-C-O 119.748 -0.473 . . . . 99.99 112.649 174.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -82.51 144.04 30.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.465 0.706 . . . . 99.99 110.682 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 62.85 -77.43 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.883 1.273 . . . . 99.99 110.378 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 32.9 tp 60.1 -80.3 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.226 1.411 . . . . 99.99 111.85 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.54 -64.27 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.0 m 72.55 -53.34 0.7 Allowed 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.76 1.624 . . . . 99.99 113.126 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.47 -48.4 74.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.596 1.159 . . . . 99.99 112.469 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -80.23 -15.93 55.9 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.006 -0.543 . . . . 99.99 111.772 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -70.39 -47.95 58.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.96 0.504 . . . . 99.99 110.774 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 11.7 p -165.17 -169.78 1.73 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.532 0.733 . . . . 99.99 110.681 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 54.9 tp 73.35 -77.67 0.05 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.227 1.411 . . . . 99.99 110.398 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.76 -90.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.54 1.136 . . . . 99.99 111.15 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.6 m -145.51 23.51 1.44 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.811 0.845 . . . . 99.99 111.093 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.48 -27.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 23.7 m 67.54 -85.43 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.568 1.547 . . . . 99.99 112.179 175.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -171.1 169.65 6.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 -170.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.63 -58.89 2.48 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.146 0.795 . . . . 99.99 113.146 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.85 -32.99 52.4 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.38 0.511 . . . . 99.99 112.38 -167.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -86.02 27.61 0.88 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.139 0.576 . . . . 99.99 111.476 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -132.37 34.99 3.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.355 1.462 . . . . 99.99 109.858 -170.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -36.55 134.79 0.6 Allowed Pre-proline 0 N--CA 1.504 2.239 0 C-N-CA 125.662 1.585 . . . . 99.99 114.879 -156.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -48.69 -56.99 2.63 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 124.65 3.567 . . . . 99.99 116.126 -163.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 91.5 mt 73.73 92.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 125.065 1.478 . . . . 99.99 109.152 -161.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.21 102.66 1.61 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.928 -1.138 . . . . 99.99 107.928 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -64.48 -59.05 8.77 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.925 0.765 . . . . 99.99 112.534 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 4.3 pp -160.62 178.25 9.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 110.916 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -131.97 -65.92 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.351 -0.981 . . . . 99.99 108.351 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -80.09 79.56 6.63 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.762 -0.654 . . . . 99.99 109.535 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.69 -39.75 91.6 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.516 1.127 . . . . 99.99 111.461 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 171.2 -122.46 0.97 Allowed Glycine 0 C--N 1.337 0.604 0 N-CA-C 110.653 -0.979 . . . . 99.99 110.653 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -67.58 89.58 0.24 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.183 0.593 . . . . 99.99 110.403 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.499 ' HE3' ' HA ' ' E' ' 286' ' ' MET . 3.1 mmt -135.73 -53.52 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 124.817 1.247 . . . . 99.99 110.753 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . 0.519 ' HB3' ' HB2' ' C' ' 44' ' ' LEU . 25.8 Cg_exo -66.9 89.11 0.29 Allowed 'Trans proline' 0 C--N 1.389 2.681 0 C-N-CA 121.418 1.412 . . . . 99.99 112.131 173.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.32 107.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.738 0.815 . . . . 99.99 109.681 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -89.07 69.28 8.39 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.721 0.772 . . . . 99.99 109.115 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.491 ' HZ2' ' HB2' ' E' ' 294' ' ' LYS . 2.0 t-105 76.57 160.39 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.24 1.816 . . . . 99.99 112.266 174.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 153.15 173.55 22.56 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -57.87 135.2 67.52 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 123.746 2.964 . . . . 99.99 112.788 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.491 ' HB2' ' HZ2' ' E' ' 290' ' ' TRP . 19.8 tptm -104.41 119.71 39.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.527 0.731 . . . . 99.99 111.111 -173.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -83.8 111.21 18.99 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.882 -0.785 . . . . 99.99 108.882 170.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.413 HG23 ' O ' ' C' ' 125' ' ' GLN . 5.9 m -156.81 -55.03 0.08 Allowed 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.675 0.79 . . . . 99.99 110.506 -174.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.9 87.8 4.73 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.221 -0.9 . . . . 99.99 108.832 -171.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -66.67 165.3 15.14 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.098 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -81.26 54.85 4.79 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.39 -0.823 . . . . 99.99 113.208 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 47.9 t30 177.94 101.28 0.02 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 125.034 1.334 . . . . 99.99 107.911 -173.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.42 142.66 16.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 169.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.85 127.34 20.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.19 0.996 . . . . 99.99 111.633 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . 0.425 ' HD3' ' HE1' ' C' ' 32' ' ' PHE . 19.5 pttm -162.52 74.3 2.14 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 124.076 0.95 . . . . 99.99 110.191 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' B' ' 129' ' ' ALA . 67.5 Cg_endo -87.28 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.164 1.909 . . . . 99.99 111.771 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . 0.403 ' O ' HG21 ' E' ' 6' ' ' ILE . . . -57.32 130.84 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.96 0.904 . . . . 99.99 111.565 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 70.7 t -77.54 109.26 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 99.99 109.923 -174.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.8 t -136.09 140.72 43.96 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.982 0.913 . . . . 99.99 109.837 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 61.6 m -147.02 114.26 6.25 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.294 1.038 . . . . 99.99 108.325 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 309' ' ' THR . . . . . 0.411 ' HB ' ' HE3' ' E' ' 380' ' ' LYS . 72.2 p -88.12 108.58 22.36 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.334 0.654 . . . . 99.99 110.783 -177.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.61 121.63 5.63 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.792 2.328 . . . . 99.99 113.93 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -171.8 -59.73 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.365 0 C-N-CA 125.762 1.625 . . . . 99.99 109.415 166.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.21 177.63 8.37 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 121.457 1.438 . . . . 99.99 112.987 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -79.95 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.843 1.257 . . . . 99.99 108.558 -171.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.571 HH11 ' HG2' ' E' ' 62' ' ' LYS . 23.9 tpp180 58.81 -80.12 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.317 1.447 . . . . 99.99 110.925 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -165.87 -66.33 0.03 OUTLIER 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 20.3 t70 48.98 78.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.331 1.453 . . . . 99.99 111.299 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 49.4 m -142.48 148.82 38.33 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.927 0.491 . . . . 99.99 110.326 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 42.9 t -92.1 125.19 57.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.31 -177.83 2.59 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.497 2.132 . . . . 99.99 112.699 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 9.8 t -66.21 140.74 58.19 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.929 0.491 . . . . 99.99 111.272 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.616 HD12 ' HE2' ' E' ' 327' ' ' LYS . 2.7 mm? -86.75 175.41 8.25 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.636 0.774 . . . . 99.99 110.309 -177.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 61.2 31.26 19.54 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.902 1.281 . . . . 99.99 112.563 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.8 -39.1 83.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.711 0.804 . . . . 99.99 111.482 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 24.6 ttt -87.55 -91.02 0.11 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.094 -1.076 . . . . 99.99 108.094 171.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.23 -68.6 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.098 1.359 . . . . 99.99 107.912 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.66 95.69 2.88 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.681 0.793 . . . . 99.99 109.898 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.616 ' HE2' HD12 ' E' ' 321' ' ' LEU . 50.4 tptt -108.85 -31.78 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.554 -0.748 . . . . 99.99 109.197 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.11 -23.49 67.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.985 0.914 . . . . 99.99 113.347 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.5 tt -67.76 -46.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.412 0.685 . . . . 99.99 111.473 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -87.26 -19.18 28.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.483 0.713 . . . . 99.99 110.797 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 40.0 tp -80.07 -43.08 22.44 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.925 0.89 . . . . 99.99 110.261 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 34.41 83.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.534 1.934 . . . . 99.99 113.929 -174.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 93.1 p 54.28 31.54 14.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.188 1.395 . . . . 99.99 112.687 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.562 ' HB2' ' HZ1' ' E' ' 334' ' ' LYS . 0.3 OUTLIER 63.09 -78.09 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 125.216 1.406 . . . . 99.99 111.076 -170.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -166.78 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 53.91 25.13 5.07 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.433 1.093 . . . . 99.99 112.829 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -77.7 -41.18 38.87 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.04 151.05 45.51 Favored Glycine 0 C--N 1.347 1.187 0 CA-C-N 115.389 -0.823 . . . . 99.99 112.777 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.87 8.36 10.52 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 124.393 1.077 . . . . 99.99 111.8 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 60.46 48.63 7.48 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.839 1.256 . . . . 99.99 109.118 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . 0.455 HD11 ' HG2' ' E' ' 342' ' ' GLN . 0.3 OUTLIER 70.09 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 113.318 -1.765 . . . . 99.99 109.197 -174.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' E' ' 341' ' ' LEU . 12.6 pt20 -165.71 -170.16 1.73 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.405 0.682 . . . . 99.99 110.278 -176.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.18 135.87 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 122.833 0.453 . . . . 99.99 109.884 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.66 153.45 28.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.781 0.832 . . . . 99.99 111.826 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . 148.0 -149.87 22.01 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-O 119.42 -0.656 . . . . 99.99 111.64 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 67.54 75.42 0.29 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.02 1.328 . . . . 99.99 110.742 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 19.6 m -83.68 126.13 32.56 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.151 -0.932 . . . . 99.99 110.761 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 10.2 tt -98.55 148.87 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.46 0.704 . . . . 99.99 110.056 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.81 141.63 32.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -115.42 -31.11 6.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.09 0.556 . . . . 99.99 110.957 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -57.21 -45.06 84.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.927 0.891 . . . . 99.99 113.008 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.23 -32.94 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.06 0.393 . . . . 99.99 112.06 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -98.6 -10.62 23.1 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.6 0.76 . . . . 99.99 112.119 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -119.87 12.7 12.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.372 0.669 . . . . 99.99 112.377 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.42 -68.56 0.7 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.102 0.561 . . . . 99.99 109.92 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -172.05 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.076 0.951 . . . . 99.99 110.424 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.85 170.35 19.12 Favored 'Trans proline' 0 C--N 1.395 2.98 0 C-N-CA 121.507 1.471 . . . . 99.99 111.951 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.1 m 62.33 34.61 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.328 1.051 . . . . 99.99 111.31 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -77.61 -18.79 77.05 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.458 -0.792 . . . . 99.99 112.622 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 64.41 14.95 9.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.131 1.372 . . . . 99.99 112.474 175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 49.4 mm 58.71 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.86 1.264 . . . . 99.99 110.132 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 133.63 147.51 5.7 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 116.081 -0.508 . . . . 99.99 113.327 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.46 100.59 11.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.527 0.731 . . . . 99.99 109.128 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 97.8 m -77.86 119.2 21.01 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.362 0.665 . . . . 99.99 110.326 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.65 149.22 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 122.908 0.483 . . . . 99.99 110.053 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.17 141.27 28.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.012 0.525 . . . . 99.99 110.485 -172.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.92 -39.57 90.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.901 0.88 . . . . 99.99 110.438 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -66.8 -20.96 66.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.795 0.838 . . . . 99.99 111.563 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.91 -41.14 68.26 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.806 0.336 . . . . 99.99 110.825 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.82 -15.65 63.74 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.033 0.933 . . . . 99.99 113.402 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 6.9 m -65.41 -20.95 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 99.99 112.368 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -57.46 -23.12 47.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.967 0.907 . . . . 99.99 113.241 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.779 ' HD3' ' HB3' ' E' ' 55' ' ' LEU . 70.1 mtm180 -60.08 -23.98 64.23 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.517 0.727 . . . . 99.99 112.958 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.72 73.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.026 0.53 . . . . 99.99 110.756 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.22 -30.83 62.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.514 -0.766 . . . . 99.99 110.863 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . 0.561 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 11.9 tp10 -72.64 -30.99 64.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.355 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.9 -43.49 86.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.945 0.898 . . . . 99.99 109.982 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.73 -24.63 62.66 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.878 -1.056 . . . . 99.99 111.7 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -87.54 -0.3 56.65 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.275 0.842 . . . . 99.99 113.275 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . 0.561 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 68.3 mmtt -79.48 90.28 5.07 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 49.75 77.87 0.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.618 1.567 . . . . 99.99 113.997 164.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 60.95 -92.88 0.06 OUTLIER Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.718 -0.673 . . . . 99.99 113.519 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -170.09 149.65 3.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.322 1.049 . . . . 99.99 109.43 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.6 m -59.04 -36.4 74.96 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.489 1.116 . . . . 99.99 112.504 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 tt -72.12 89.0 1.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.538 0.735 . . . . 99.99 109.351 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.02 134.95 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 171.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 48.6 mm -76.75 103.57 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.164 0.586 . . . . 99.99 110.64 -171.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.8 141.25 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 108.061 -1.088 . . . . 99.99 108.061 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.9 t -65.36 128.34 35.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.331 0.652 . . . . 99.99 111.118 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.81 114.96 9.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.17 -0.678 . . . . 99.99 109.17 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.4 157.11 45.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.788 0.835 . . . . 99.99 109.758 -171.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.0 m80 73.37 -178.01 0.19 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.285 1.434 . . . . 99.99 111.385 -171.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -141.03 -166.7 2.22 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.158 1.383 . . . . 99.99 107.968 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.77 -25.27 62.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.566 0.746 . . . . 99.99 111.31 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 68.06 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.53 1.532 . . . . 99.99 113.696 163.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 41.3 t -62.14 -37.21 84.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.91 0.884 . . . . 99.99 111.554 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.477 ' HG3' ' H ' ' E' ' 399' ' ' VAL . 6.8 tp-100 -120.33 132.71 55.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.0 -1.111 . . . . 99.99 108.0 174.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.7 tt -84.02 11.66 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.028 0.931 . . . . 99.99 110.513 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.477 ' H ' ' HG3' ' E' ' 397' ' ' GLN . 21.7 m 50.13 28.37 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 126.759 2.023 . . . . 99.99 113.31 177.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -126.89 70.07 73.37 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 116.299 -0.41 . . . . 99.99 111.107 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.691 ' HG2' ' HA ' ' E' ' 404' ' ' LYS . 29.1 Cg_endo -67.15 148.0 80.16 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.48 1.453 . . . . 99.99 109.588 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -52.59 -48.47 66.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.538 1.135 . . . . 99.99 113.389 -166.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 m -120.43 10.71 11.25 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 123.498 0.719 . . . . 99.99 110.247 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.691 ' HA ' ' HG2' ' E' ' 401' ' ' PRO . 55.4 mmtt 62.98 179.61 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.45 1.1 . . . . 99.99 111.968 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.23 96.46 11.44 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 107.344 -1.354 . . . . 99.99 107.344 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.81 -23.62 72.85 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 123.637 2.891 . . . . 99.99 115.132 -169.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 83.82 155.94 22.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 123.252 0.345 . . . . 99.99 112.43 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt 60.07 87.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.542 1.137 . . . . 99.99 110.694 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 409' ' ' THR . . . . . 0.612 HG23 ' HG3' ' E' ' 231' ' ' LYS . 15.0 t -82.86 3.27 30.36 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.29 0.636 . . . . 99.99 111.263 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 51.26 18.86 0.66 Allowed 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 127.156 2.183 . . . . 99.99 113.71 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 53.53 21.99 2.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.881 1.272 . . . . 99.99 112.314 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 54.89 68.88 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.044 1.338 . . . . 99.99 110.963 -172.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 16.5 m120 69.09 4.81 4.74 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.47 1.285 . . . . 99.99 114.47 170.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 58.6 p -94.96 -24.76 16.81 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.584 0.629 . . . . 99.99 110.398 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.28 -80.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.508 1.523 . . . . 99.99 110.544 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.3 5.85 9.67 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.238 1.015 . . . . 99.99 109.956 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 89.19 -67.74 2.83 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.487 -1.045 . . . . 99.99 110.487 -165.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 66.66 -70.14 0.11 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.526 1.531 . . . . 99.99 111.712 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.55 74.23 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.352 0 CA-C-O 122.203 1.001 . . . . 99.99 111.24 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.5 mtt -136.76 -20.77 1.3 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.147 0.979 . . . . 99.99 111.006 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.91 -38.38 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.688 0.395 . . . . 99.99 110.76 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 66.4 mtt 67.59 -7.28 0.58 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.882 1.673 . . . . 99.99 114.186 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 48.0 t 52.51 83.4 0.06 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.532 1.133 . . . . 99.99 110.013 -174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . 0.457 ' HB3' ' HB3' ' D' ' 70' ' ' GLU . 9.7 t80 -58.13 -62.89 1.49 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.531 0.732 . . . . 99.99 110.927 -166.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 57.47 23.98 50.74 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.789 1.075 . . . . 99.99 115.789 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -80.47 -54.02 6.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.625 0.77 . . . . 99.99 109.145 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.5 t -154.11 98.68 2.17 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.02 107.57 0.89 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.422 1.106 . . . . 99.99 111.084 -176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' D' ' 71' ' ' GLU . 26.1 mt-10 -79.18 7.55 7.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.576 1.55 . . . . 99.99 112.014 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -46.87 -31.32 3.01 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.607 1.563 . . . . 99.99 112.762 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 35.5 t -60.86 -25.88 66.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.801 0.84 . . . . 99.99 112.976 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -63.69 -43.7 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.609 0.764 . . . . 99.99 111.753 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.05 -27.03 67.78 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.205 0.316 . . . . 99.99 110.983 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -83.82 68.41 9.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.111 0.958 . . . . 99.99 110.3 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 83.5 m -152.82 -62.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 106.702 -1.592 . . . . 99.99 106.702 175.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.19 7.17 30.29 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 115.169 -0.923 . . . . 99.99 114.33 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 43.9 m 55.26 -148.28 0.49 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.639 1.176 . . . . 99.99 110.69 -171.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.94 117.69 17.98 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.173 -0.677 . . . . 99.99 109.173 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.28 94.51 6.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.874 -0.787 . . . . 99.99 108.874 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.451 HH22 ' HB2' ' C' ' 48' ' ' SER . 66.0 mtt85 -78.35 -31.05 48.41 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.296 0.638 . . . . 99.99 111.158 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . 0.757 ' HA ' ' HA ' ' C' ' 45' ' ' ASP . 2.0 mp 57.37 -85.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.104 1.361 . . . . 99.99 109.38 -166.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 59.24 32.21 21.81 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.029 0.932 . . . . 99.99 112.36 174.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' E' ' 287' ' ' PRO . . . -72.56 75.08 1.07 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.72 0.772 . . . . 99.99 111.047 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.29 130.72 21.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.235 1.414 . . . . 99.99 107.632 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 179.39 155.07 14.12 Favored Glycine 0 C--O 1.24 0.512 0 O-C-N 124.188 0.93 . . . . 99.99 110.967 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.92 166.36 29.78 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.294 1.996 . . . . 99.99 110.487 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -79.38 19.58 0.59 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.091 0.404 . . . . 99.99 112.091 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 75.47 147.27 0.09 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.16 1.784 . . . . 99.99 112.523 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -163.35 123.12 2.17 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.996 0.919 . . . . 99.99 109.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.62 147.41 34.32 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.924 0.89 . . . . 99.99 109.047 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 t -94.62 -60.57 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.323 0.649 . . . . 99.99 110.065 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.73 13.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 124.781 1.232 . . . . 99.99 109.336 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.69 84.35 0.37 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-N 116.149 -0.478 . . . . 99.99 113.109 -172.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' ' 97' ' ' CYS . 1.8 pp -105.36 5.06 31.49 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.07 0.948 . . . . 99.99 111.286 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 14.6 t -68.19 169.96 9.43 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.451 0.701 . . . . 99.99 110.164 176.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.1 t70 71.76 -80.25 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.22 1.008 . . . . 99.99 110.712 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -84.41 94.62 8.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.125 0.488 . . . . 99.99 110.19 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 10.1 t -154.56 139.55 17.31 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.137 -0.938 . . . . 99.99 108.837 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -175.09 125.07 0.25 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.687 0.795 . . . . 99.99 109.55 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 132' ' ' ASN . 33.6 mt -139.32 -75.86 0.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.145 -1.058 . . . . 99.99 108.145 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 15.46 95.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 128.52 2.728 . . . . 99.99 115.321 172.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . 0.596 ' HB3' HG21 ' A' ' 131' ' ' VAL . 39.8 p90 -66.36 124.5 22.89 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.906 -0.405 . . . . 99.99 109.906 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 10.8 t -97.04 17.29 17.34 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 121.324 0.583 . . . . 99.99 110.464 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.487 ' SD ' ' HB2' ' E' ' 136' ' ' LYS . 22.3 ptt? -111.12 96.14 5.96 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.13 0.972 . . . . 99.99 110.491 -177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -91.12 34.34 0.93 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.482 0.713 . . . . 99.99 110.47 177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -143.52 -176.75 5.08 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 125.265 1.426 . . . . 99.99 108.398 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -73.65 165.67 24.67 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.463 0.649 . . . . 99.99 110.587 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.515 HD22 ' HB ' ' A' ' 40' ' ' VAL . 1.5 pt? -70.36 -174.03 0.79 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.033 0.933 . . . . 99.99 111.801 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -64.97 0.51 4.32 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 115.998 1.159 . . . . 99.99 115.998 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.88 -36.13 59.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.418 0.687 . . . . 99.99 111.677 171.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 19.0 tptm . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 118.89 -0.576 . . . . 99.99 109.841 -166.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.046 -0.353 . . . . 99.99 110.046 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -70.67 128.52 36.37 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.738 0.815 . . . . 99.99 110.557 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 69.17 -79.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.468 1.105 . . . . 99.99 111.486 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.9 143.95 45.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.06 0.544 . . . . 99.99 111.84 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.42 -74.95 0.17 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.288 1.035 . . . . 99.99 108.955 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -161.21 -80.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.43 0.692 . . . . 99.99 110.18 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 m -80.28 79.55 6.84 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.95 0.5 . . . . 99.99 110.544 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 52.6 -81.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.825 1.65 . . . . 99.99 112.704 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.52 134.93 23.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.337 1.055 . . . . 99.99 112.533 -174.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -156.66 138.36 14.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.615 0.766 . . . . 99.99 109.791 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 1.2 t80 -97.14 131.19 44.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.515 -0.92 . . . . 99.99 108.515 170.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 -135.16 93.7 3.03 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 -177.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.636 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HB3' HD13 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 99.99 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 34.4 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' HB3' HG23 ' B' ' 122' ' ' THR . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 17.02 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.732 ' HZ3' ' HB3' ' B' ' 28' ' ' ALA . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 50.99 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 18.45 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 13.15 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 6.92 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 22.19 108.753 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 43.73 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 63.88 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' E' ' 468' ' ' LEU . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 73.6 111.268 -171.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 99.99 108.491 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HG ' HG12 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 50.91 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 67.81 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 81.17 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' E' ' 444' ' ' TYR . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' E' ' 447' ' ' HIS . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.629 ' HB3' HG22 ' E' ' 452' ' ' VAL . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' E' ' 447' ' ' HIS . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.546 ' HB3' HD21 ' E' ' 454' ' ' LEU . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.23 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG12 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 75.11 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.677 HG23 HH22 ' E' ' 440' ' ' ARG . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 32.98 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 HG23 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 27.21 107.091 177.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG23 HD23 ' A' ' 60' ' ' LEU . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 28.74 109.685 178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 35.81 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 19.33 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 29.68 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 25.47 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 80.58 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 99.99 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 40.21 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HA ' HG23 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 30.66 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 59.79 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 30.86 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 20.96 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HG3' HD23 ' A' ' 106' ' ' LEU . 7.2 tp-100 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 21.28 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 80.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.636 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t -123.41 112.12 17.16 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG23 ' SG ' ' A' ' 97' ' ' CYS . 5.5 tp -142.01 141.35 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 113.462 0.912 . . . . 99.99 113.462 -177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.07 178.03 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 127.86 2.464 . . . . 99.99 109.129 168.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.67 -27.22 21.49 Favored Glycine 0 N--CA 1.48 1.586 0 N-CA-C 111.008 -0.837 . . . . 99.99 111.008 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -112.27 148.1 15.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 125.874 1.67 . . . . 99.99 107.189 170.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 6.8 tp10 -138.81 -175.6 4.2 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 122.865 0.466 . . . . 99.99 109.965 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.7 -147.06 34.81 Favored Glycine 0 C--N 1.349 1.28 0 C-N-CA 123.267 0.46 . . . . 99.99 112.747 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -64.65 -20.23 66.17 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.45 0.7 . . . . 99.99 112.173 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.33 -53.0 41.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.691 0.396 . . . . 99.99 110.593 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.44 ' HB2' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -68.89 -39.7 79.62 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 -177.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.34 -58.15 9.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.846 0.858 . . . . 99.99 111.81 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -70.15 -20.7 63.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.693 -0.67 . . . . 99.99 111.271 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.5 t -58.47 -47.9 82.53 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.629 0.65 . . . . 99.99 109.365 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' HB2' ' HB ' ' E' ' 458' ' ' THR . 31.6 mt -70.8 -27.48 63.92 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.527 -0.76 . . . . 99.99 112.251 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 99.99 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.611 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 99.99 113.531 -174.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 79.06 112.234 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' HG12 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 59.39 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 99.99 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 83.34 110.793 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 42.55 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 17.98 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 13.2 113.11 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 36.0 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 15.85 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 19.0 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.506 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 5.43 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 18.83 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.419 HG22 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 22.63 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 6.65 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 88.83 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 51.92 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 39.96 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.588 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 11.33 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 32.89 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 19.39 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.484 ' HG3' ' HB1' ' E' ' 130' ' ' ALA . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 30.18 113.801 178.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 90.79 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.539 ' HA ' HD13 ' E' ' 468' ' ' LEU . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 93.81 112.048 177.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' N ' HD21 ' E' ' 468' ' ' LEU . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 77.99 111.427 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 85.02 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.548 HG12 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t -100.73 114.66 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.672 ' HB3' ' HB1' ' A' ' 135' ' ' ALA . 4.4 m-20 -85.62 88.24 7.5 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.152 0.581 . . . . 99.99 110.315 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -74.1 -51.3 16.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.898 -1.046 . . . . 99.99 109.312 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.78 -37.59 59.07 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.379 -1.282 . . . . 99.99 111.174 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 132' ' ' ASN . . . -68.64 -20.1 64.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.542 -0.266 . . . . 99.99 111.696 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.14 -36.8 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.149 -0.686 . . . . 99.99 109.149 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -61.28 -49.89 75.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.08 0.552 . . . . 99.99 110.452 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.4 mmt -68.7 -30.66 69.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.476 0.71 . . . . 99.99 111.588 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 36.7 t30 -60.66 -47.76 84.79 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.049 0.94 . . . . 99.99 110.316 173.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -71.27 -31.56 67.64 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.266 -0.879 . . . . 99.99 111.056 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.24 -50.64 59.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.704 0.402 . . . . 99.99 111.242 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.606 HE21 ' HA3' ' C' ' 146' ' ' GLY . 52.1 tp60 -174.09 18.73 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.753 0.821 . . . . 99.99 110.152 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 78.1 mt-30 63.83 9.46 4.49 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.781 1.232 . . . . 99.99 112.973 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 71.6 -46.5 0.64 Allowed 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 125.945 1.698 . . . . 99.99 112.135 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 76.47 -81.49 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.636 1.575 . . . . 99.99 112.094 166.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -103.48 27.8 18.31 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 120.051 -0.305 . . . . 99.99 113.357 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 64.78 -87.61 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.199 1.4 . . . . 99.99 110.571 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.14 -58.4 0.13 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.542 -1.023 . . . . 99.99 110.542 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.724 HG22 HG21 ' C' ' 92' ' ' THR . 12.5 m 55.04 -128.58 2.19 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 124.81 1.244 . . . . 99.99 111.648 170.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.33 -78.08 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.771 1.228 . . . . 99.99 110.642 -167.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 60.64 68.74 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.579 1.151 . . . . 99.99 113.092 164.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -91.49 83.99 5.48 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.906 -0.775 . . . . 99.99 108.906 169.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -98.84 38.17 1.41 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.683 0.793 . . . . 99.99 109.977 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.78 108.24 0.55 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.686 1.195 . . . . 99.99 110.867 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 124.035 0.934 . . . . 99.99 108.73 178.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.698 -0.482 . . . . 99.99 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 60.95 23.12 13.25 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 113.532 0.938 . . . . 99.99 113.532 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 71.67 -66.37 0.3 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.408 1.483 . . . . 99.99 112.918 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -66.76 -41.83 87.11 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.847 0.459 . . . . 99.99 110.681 -174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -85.5 76.25 10.07 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.869 0.842 . . . . 99.99 109.488 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.29 161.4 36.34 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.02 0.928 . . . . 99.99 109.594 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 62.1 p 53.5 34.32 18.1 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.097 1.359 . . . . 99.99 110.36 -174.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.62 159.55 34.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.496 -1.229 . . . . 99.99 111.171 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.6 OUTLIER 66.49 164.64 0.19 Allowed 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.419 1.488 . . . . 99.99 110.679 -176.05 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 32.6 p -140.09 119.45 12.98 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.548 -1.278 . . . . 99.99 107.548 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -126.72 120.03 28.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.539 0.609 . . . . 99.99 109.563 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 61.13 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 99.99 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 99.99 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 22.84 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 25.35 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 18.25 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 41.37 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 15.07 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 29.37 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 11.41 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 27.88 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 51.27 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.732 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.547 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 99.99 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 99.89 112.069 -168.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' E' ' 6' ' ' ILE . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.518 HD21 HD23 ' E' ' 8' ' ' LEU . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 99.99 111.123 -165.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.428 HG21 ' CG ' ' E' ' 15' ' ' PHE . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 89.58 109.734 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 50.34 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 99.99 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 44.59 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 98.19 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 93.17 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 98.7 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE1' ' HB3' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 99.99 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 85.08 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 32.75 108.702 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.636 HD21 HD11 ' E' ' 8' ' ' LEU . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 89.85 109.427 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 99.99 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 30.69 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 50.25 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 27.1 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 27.69 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 28.91 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.546 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 82.69 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 84.99 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 91.81 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 39.53 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 37.29 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 21.12 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 29.86 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 13.61 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 13.23 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 36.68 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.548 ' HB2' ' HB1' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 12.8 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 51.05 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 99.99 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 99.23 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' B' ' 10' ' ' THR . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 99.99 110.948 -172.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB3' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.621 ' HE1' HG11 ' E' ' 18' ' ' VAL . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . 0.53 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 99.37 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 67.76 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' B' ' 134' ' ' ASP . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 81.59 112.392 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.53 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 55.65 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 48.03 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 99.99 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 59.06 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 27.15 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . 0.431 ' HZ ' ' HE1' ' B' ' 133' ' ' PHE . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 18.14 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . 0.401 ' HE2' HG22 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 25.24 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 18.19 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 76.84 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 28.75 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.638 HD13 HD11 ' B' ' 128' ' ' LEU . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 30.1 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 17.12 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.81 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.546 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 50.71 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.508 HG21 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 23.64 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 49.99 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.506 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.468 HG23 ' HB3' ' A' ' 17' ' ' TYR . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 33.79 112.539 176.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . 0.452 ' CE1' HG22 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 28.26 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 39.05 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 99.99 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 99.99 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.638 HD11 HD13 ' B' ' 114' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 99.99 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 64.44 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . 0.527 ' HG2' HG22 ' E' ' 306' ' ' VAL . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 75.43 111.403 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.99 110.934 -173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -109.08 68.9 0.69 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.458 ' HA ' ' HB2' ' B' ' 136' ' ' LEU . 32.7 p90 -88.03 -6.34 58.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.369 -1.287 . . . . 99.99 111.927 -171.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.648 ' HB3' ' HB3' ' B' ' 100' ' ' ALA . 8.8 p-10 -61.61 -41.53 97.58 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.471 0.653 . . . . 99.99 110.265 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.45 29.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.712 1.205 . . . . 99.99 111.61 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.458 ' HB2' ' HA ' ' B' ' 133' ' ' PHE . 4.0 tt -51.27 -44.16 61.75 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.156 0.982 . . . . 99.99 110.123 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.5 -46.92 80.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.55 0.74 . . . . 99.99 111.071 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.95 75.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.029 0.932 . . . . 99.99 110.435 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -84.91 -7.59 59.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.584 1.154 . . . . 99.99 111.272 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.73 -25.17 21.3 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -92.39 34.28 1.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.33 1.052 . . . . 99.99 110.12 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.77 36.4 0.55 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.124 0.97 . . . . 99.99 111.742 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -58.32 110.27 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.996 0.918 . . . . 99.99 110.009 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 58.79 51.2 7.78 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.567 1.167 . . . . 99.99 110.451 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 61.97 93.45 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.59 1.556 . . . . 99.99 112.549 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.83 -78.43 1.68 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-N 115.633 -0.712 . . . . 99.99 113.141 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.37 -37.22 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.839 0.856 . . . . 99.99 110.037 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . 0.543 ' HA2' ' HD2' ' B' ' 152' ' ' HIS . . . 91.12 -60.85 3.01 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.891 -0.595 . . . . 99.99 113.832 174.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 15.2 t -60.13 -24.52 64.75 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.325 1.05 . . . . 99.99 113.793 -167.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . 0.569 ' HG3' ' HG3' ' B' ' 151' ' ' GLU . 11.3 tp10 -148.15 149.35 31.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.182 -0.673 . . . . 99.99 109.182 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.569 ' HG3' ' HG3' ' B' ' 150' ' ' GLU . 36.2 mt-10 72.8 -66.48 0.31 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.583 1.553 . . . . 99.99 111.575 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.543 ' HD2' ' HA2' ' B' ' 148' ' ' GLY . 24.5 t-80 65.1 -86.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.329 1.452 . . . . 99.99 109.937 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -145.19 -85.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.85 25.37 3.85 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.997 1.319 . . . . 99.99 113.538 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 123.638 0.775 . . . . 99.99 109.434 -176.519 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.87 -0.419 . . . . 99.99 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' C' ' 8' ' ' GLU . 71.0 m 67.13 -172.47 0.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.705 1.202 . . . . 99.99 110.663 -167.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 56.7 74.88 0.38 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.067 0.947 . . . . 99.99 111.447 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 72.76 -20.81 0.26 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.311 1.444 . . . . 99.99 113.329 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -76.04 80.04 2.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.456 0.702 . . . . 99.99 110.294 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 4.5 t30 57.37 16.89 3.42 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.961 1.304 . . . . 99.99 111.461 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.6 m 70.19 -22.7 0.17 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 126.146 1.778 . . . . 99.99 113.686 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' C' ' 2' ' ' SER . 3.5 tt0 59.48 97.65 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.454 1.502 . . . . 99.99 111.202 -171.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.419 ' SD ' ' HG3' ' C' ' 90' ' ' GLU . 45.7 ttp 63.51 121.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.643 1.177 . . . . 99.99 112.689 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.489 ' H ' ' HA3' ' C' ' 88' ' ' GLY . 27.6 m -83.61 83.45 7.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 170.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -124.46 125.24 43.92 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.519 HD12 ' OG1' ' E' ' 137' ' ' THR . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 82.71 107.742 170.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 99.99 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 17.72 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 9.52 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HZ3' ' HD3' ' D' ' 29' ' ' PRO . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 51.3 109.316 173.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 13.13 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 15.89 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 10.19 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 26.52 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 43.6 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 57.64 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.601 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 78.76 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.601 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 99.99 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 72.29 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 99.99 108.462 171.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 99.99 108.548 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.598 HD12 HD21 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 90.89 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 55.92 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 78.18 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 57.25 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 99.99 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 97.58 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.476 ' HB2' HD13 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.546 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 43.88 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 30.1 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.598 HD21 HD12 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 99.67 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 31.81 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.79 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.501 HG21 HG21 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 29.1 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 36.6 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 38.08 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 65.72 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 99.99 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 83.21 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 40.89 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 38.89 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 66.65 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 32.91 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 14.84 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 26.52 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 12.17 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.439 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' D' ' 29' ' ' PRO . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 39.17 108.563 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . 0.546 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' C' ' 10' ' ' THR . 0.0 OUTLIER -138.32 107.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.16 21.96 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.807 -0.633 . . . . 99.99 111.262 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.489 ' HA3' ' H ' ' C' ' 10' ' ' THR . . . -70.11 -12.09 68.1 Favored Glycine 0 C--N 1.349 1.25 0 N-CA-C 115.642 1.017 . . . . 99.99 115.642 -173.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 66.28 98.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.498 1.119 . . . . 99.99 111.262 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.544 ' HB3' HE21 ' C' ' 93' ' ' GLN . 21.5 mm-40 -131.79 23.12 4.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.513 1.125 . . . . 99.99 110.049 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.52 -124.05 23.83 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.515 -0.766 . . . . 99.99 112.45 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.724 HG21 HG22 ' A' ' 149' ' ' THR . 42.8 p -79.67 -18.28 51.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.061 0.544 . . . . 99.99 111.701 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . 0.544 HE21 ' HB3' ' C' ' 90' ' ' GLU . 8.9 tt0 -64.2 -51.28 64.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.941 0.496 . . . . 99.99 110.485 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.489 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 0.0 OUTLIER -63.98 -29.93 71.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 123.413 0.446 . . . . 99.99 111.838 179.049 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.02 51.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.999 0.519 . . . . 99.99 111.84 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -81.09 -33.02 33.64 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.012 0.525 . . . . 99.99 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' C' ' 94' ' ' MET . 26.4 p -74.6 -22.84 58.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.456 0.303 . . . . 99.99 110.459 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.48 HD22 HD11 ' E' ' 278' ' ' LEU . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 81.7 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 68.22 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.425 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 85.73 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 52.77 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 18.22 110.072 170.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.439 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 62.78 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' E' ' 141' ' ' ALA . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 20.21 113.411 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 17.97 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . 0.419 ' HE2' HG22 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 10.09 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' C' ' 78' ' ' VAL . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 18.56 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.472 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 31.03 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.438 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 26.09 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.501 HG21 HG21 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 21.24 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 14.3 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 10.17 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.538 ' HE1' HG23 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 12.08 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 54.79 109.491 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 23.93 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 27.3 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 36.76 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 44.0 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 92.07 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . 0.472 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 43.42 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 64.09 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 45.54 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 40.22 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 98.11 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.64 -17.26 45.28 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.68 -35.16 63.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.348 1.459 . . . . 99.99 110.735 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.13 67.15 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.23 1.012 . . . . 99.99 112.429 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.21 -27.68 69.23 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.536 0.734 . . . . 99.99 111.308 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -68.0 -35.12 77.8 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.014 0.525 . . . . 99.99 111.039 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' C' ' 138' ' ' MET . 1.2 mpt? -77.59 -34.65 53.49 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 99.99 110.149 177.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -69.35 -37.11 77.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.597 0.759 . . . . 99.99 110.673 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -46.56 -80.96 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.298 1.839 . . . . 99.99 110.94 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 34.9 tp -122.63 95.97 4.84 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 167.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.48 95.66 2.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.894 -0.78 . . . . 99.99 108.894 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -63.27 -71.64 0.16 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 40.3 32.17 0.12 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 126.119 1.768 . . . . 99.99 115.305 170.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -79.01 -48.98 13.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.717 0.407 . . . . 99.99 110.871 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . 0.606 ' HA3' HE21 ' A' ' 142' ' ' GLN . . . 84.19 -55.93 5.02 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 111.305 -0.718 . . . . 99.99 111.305 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.72 130.59 47.09 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.325 1.05 . . . . 99.99 108.647 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.56 34.81 0.54 Allowed Glycine 0 N--CA 1.469 0.877 0 O-C-N 123.195 0.31 . . . . 99.99 112.876 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 25.0 m -132.18 -25.17 2.02 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.821 0.848 . . . . 99.99 110.032 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 68.06 85.54 0.14 Allowed 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.62 1.568 . . . . 99.99 108.292 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.645 ' HA ' ' HB2' ' C' ' 155' ' ' ALA . 0.0 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.322 -1.308 . . . . 99.99 114.529 -169.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 53.36 -88.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.151 0.98 . . . . 99.99 111.169 -170.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.66 51.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.27 -50.05 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.358 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' C' ' 151' ' ' GLU . . . . . . . . 0 C--O 1.253 1.249 0 CA-C-O 119.1 -0.476 . . . . 99.99 110.757 -177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.996 -0.05 . . . . 99.99 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -173.7 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.081 0.952 . . . . 99.99 109.236 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 137.2 52.31 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 99.99 110.421 -173.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 61.47 -91.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.391 1.476 . . . . 99.99 111.424 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -168.4 -142.02 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.076 0.95 . . . . 99.99 108.457 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.74 132.0 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.927 1.691 . . . . 99.99 112.352 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 36.2 m -122.52 -18.39 6.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.263 1.025 . . . . 99.99 110.431 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.84 152.59 42.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.451 0.7 . . . . 99.99 111.06 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -31.41 123.23 0.25 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.291 1.836 . . . . 99.99 113.697 -172.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -137.53 140.45 41.1 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . 0.419 ' H ' HG23 ' E' ' 307' ' ' THR . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 79.57 105.758 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.41 HD12 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 99.99 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 81.0 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 28.79 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 14.92 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 58.5 110.299 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.538 HG23 ' HE1' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 14.63 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 15.53 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 6.05 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 14.28 107.319 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 16.78 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' D' ' 29' ' ' PRO . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 22.87 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' D' ' 28' ' ' ALA . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 21.13 113.186 -171.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 30.2 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 64.18 111.341 -167.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.644 ' HB3' ' HE1' ' E' ' 131' ' ' TRP . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . 0.606 ' HZ2' ' HG2' ' D' ' 71' ' ' GLU . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 34.41 109.787 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 54.02 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 34.31 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.598 HG21 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 83.42 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 99.99 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.404 ' N ' HD11 ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 97.22 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 62.54 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 55.71 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 61.91 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.99 108.76 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 93.38 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 99.99 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' D' ' 52' ' ' ALA . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 71.26 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 36.06 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 79.92 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 22.5 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 23.18 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.598 HG13 HG21 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 24.43 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 32.61 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 25.12 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.429 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 49.15 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 32.34 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 33.15 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . 0.606 ' HG2' ' HZ2' ' D' ' 34' ' ' LYS . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 19.1 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.429 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 12.32 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 8.66 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 19.44 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 10.02 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 29.4 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.3 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 65.32 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.437 ' HA ' HG21 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 99.99 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.545 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 99.99 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.545 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . 0.628 ' HB3' ' HB3' ' E' ' 47' ' ' LEU . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.474 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 99.99 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 99.99 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.412 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 70.12 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 64.46 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 46.86 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 45.41 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 38.42 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 87.71 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.436 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 35.35 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 21.86 112.731 -170.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 12.38 114.005 -173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 8.42 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 15.0 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 17.35 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 12.17 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.56 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.402 ' O ' HG22 ' D' ' 118' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 19.17 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 115' ' ' THR . . . . . 0.401 HG22 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 19.58 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 14.23 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.464 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 6.04 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.402 HG22 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 19.19 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 16.36 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 7.12 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 35.79 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 27.88 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 17.97 112.426 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 33.77 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 99.99 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 35.86 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' E' ' 123' ' ' ASP . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 48.78 110.315 -173.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 48.18 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 95.86 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.444 ' HD1' HD22 ' E' ' 111' ' ' LEU . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.79 -30.0 69.78 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.549 ' HA ' ' HE3' ' D' ' 138' ' ' MET . . . -50.42 -37.64 38.9 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.447 0.699 . . . . 99.99 111.863 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' E' ' 120' ' ' TYR . 4.0 mp -85.8 -31.42 22.34 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.781 -1.1 . . . . 99.99 111.451 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -88.2 -32.25 18.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.234 0.828 . . . . 99.99 113.234 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 23.0 ptp -56.62 -34.03 66.84 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.423 0.897 . . . . 99.99 113.423 -166.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . 0.415 ' HA ' HE21 ' D' ' 142' ' ' GLN . 25.0 p-10 -77.58 -32.65 53.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.591 0.356 . . . . 99.99 111.71 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -62.92 -56.05 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.106 0.562 . . . . 99.99 111.632 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.2 tp -64.72 -38.75 92.04 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -166.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' D' ' 139' ' ' ASN . 27.2 pt20 -75.33 4.69 6.72 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.266 0.469 . . . . 99.99 112.266 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.73 43.9 1.37 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.642 0.777 . . . . 99.99 109.406 171.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -147.44 127.62 13.81 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.372 -0.376 . . . . 99.99 110.88 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.59 90.81 1.19 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.545 1.138 . . . . 99.99 108.037 175.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.14 -21.71 29.4 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.625 -0.716 . . . . 99.99 112.319 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.52 100.61 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.997 0.919 . . . . 99.99 110.656 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.48 4.99 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.73 -0.668 . . . . 99.99 112.507 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 43.7 p -90.95 25.79 2.31 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.574 1.15 . . . . 99.99 110.789 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 57.51 -135.01 1.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.177 1.391 . . . . 99.99 108.745 -166.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' D' ' 154' ' ' ASP . 33.7 mt-10 64.11 -80.32 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.703 1.201 . . . . 99.99 111.504 176.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 5.1 t60 66.41 -73.7 0.07 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.157 1.783 . . . . 99.99 112.034 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -92.64 15.41 14.44 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.693 0.797 . . . . 99.99 110.544 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . 0.425 ' HB2' ' HB3' ' D' ' 151' ' ' GLU . 20.9 t70 -55.88 -47.29 77.65 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.494 0.717 . . . . 99.99 110.908 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.011 0 O-C-N 124.798 1.311 . . . . 99.99 110.165 -177.681 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.53 ' HG2' ' HB2' ' B' ' 42' ' ' LEU . 16.7 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . 0.431 ' HE2' ' HG2' ' E' ' 84' ' ' ARG . 75.2 mmtt -75.25 141.22 43.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.028 0.531 . . . . 99.99 109.95 172.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . 0.563 ' HA ' HG21 ' E' ' 80' ' ' ILE . 74.3 mt-30 68.75 -0.91 2.17 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.396 1.478 . . . . 99.99 114.315 176.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -177.03 140.43 0.3 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.709 1.204 . . . . 99.99 108.356 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -68.1 -69.61 0.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.552 0.615 . . . . 99.99 109.906 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.721 ' HA ' HD22 ' B' ' 42' ' ' LEU . 13.0 pt -134.51 84.63 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.762 0.825 . . . . 99.99 109.805 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' B' ' 42' ' ' LEU . . . 179.15 -177.77 0.31 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.586 1.154 . . . . 99.99 110.271 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.636 HD11 HD21 ' B' ' 60' ' ' LEU . 9.0 mt -62.69 96.45 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.891 0.477 . . . . 99.99 111.869 -170.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.46 95.36 1.77 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.869 0.868 . . . . 99.99 110.788 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 tp 73.86 -66.08 0.32 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.579 1.551 . . . . 99.99 112.067 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt 74.99 133.17 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 125.555 1.542 . . . . 99.99 109.601 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.28 83.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.493 2.129 . . . . 99.99 112.424 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.09 -94.46 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.178 1.391 . . . . 99.99 110.98 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.0 148.38 1.74 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.824 0.85 . . . . 99.99 109.304 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.428 ' CG ' HG21 ' B' ' 46' ' ' THR . 36.3 p90 -71.65 137.56 47.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.707 0.403 . . . . 99.99 110.084 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.423 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 23.3 p -130.24 40.78 0.64 Allowed Pre-proline 0 CA--C 1.566 1.585 0 N-CA-C 113.342 0.868 . . . . 99.99 113.342 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' E' ' 16' ' ' THR . 21.1 Cg_endo -93.73 -0.97 3.24 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.014 1.81 . . . . 99.99 113.638 -172.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.621 HG11 ' HE1' ' B' ' 94' ' ' MET . 1.2 p -79.89 -31.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.965 0.506 . . . . 99.99 110.449 -170.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' THR . . . . . 0.495 HG21 HG13 ' E' ' 18' ' ' VAL . 75.2 p -136.15 -173.34 3.36 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.835 1.254 . . . . 99.99 109.343 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.14 -20.45 61.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.836 0.454 . . . . 99.99 111.675 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 73.25 7.42 5.26 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 115.139 1.533 . . . . 99.99 115.139 163.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 125.25 28.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.208 0.603 . . . . 99.99 110.128 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 13.0 p -130.77 148.78 71.5 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.697 1.199 . . . . 99.99 109.335 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.12 127.22 21.52 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.412 2.075 . . . . 99.99 110.704 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 68.44 17.01 9.18 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.75 1.22 . . . . 99.99 112.138 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.262 66.6 mtt 25.26 -79.03 0.0 OUTLIER Pre-proline 0 CA--C 1.591 2.531 0 C-N-CA 128.028 2.531 . . . . 99.99 116.754 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.35 -40.98 81.1 Favored 'Trans proline' 1 C--N 1.422 4.404 0 CA-C-N 123.383 2.244 . . . . 99.99 113.298 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t 63.74 94.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 124.993 1.317 . . . . 99.99 109.778 -174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.83 162.34 28.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.409 0.684 . . . . 99.99 110.413 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 59.48 34.71 22.65 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.921 0.888 . . . . 99.99 109.77 -170.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.5 -27.84 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.45 -1.25 . . . . 99.99 111.154 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 81.18 -32.65 0.11 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.175 1.79 . . . . 99.99 111.644 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . 0.413 ' HB2' ' HB1' ' E' ' 64' ' ' ALA . . . 67.9 -161.64 0.21 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.723 1.209 . . . . 99.99 110.581 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . 0.673 ' HB2' ' HE2' ' E' ' 62' ' ' LYS . . . -85.12 8.99 16.15 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 71.11 102.88 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.33 1.452 . . . . 99.99 110.554 172.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.52 52.51 0.55 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.083 -0.807 . . . . 99.99 111.083 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.79 116.91 27.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.487 1.115 . . . . 99.99 109.614 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . 0.731 ' HA ' ' HA ' ' E' ' 324' ' ' MET . 10.8 tt -164.29 16.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 112.934 0.716 . . . . 99.99 112.934 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 33.6 p -115.93 -82.6 0.62 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.745 -1.222 . . . . 99.99 112.57 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' E' ' 41' ' ' PRO 0.312 . . 53.21 -100.35 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.413 0 CA-C-O 116.035 -1.936 . . . . 99.99 113.441 -169.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' E' ' 40' ' ' ALA . 73.4 Cg_endo -96.61 90.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.407 3.62 0 CA-C-N 125.686 3.066 . . . . 99.99 112.412 -177.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.89 116.57 3.91 Favored Glycine 0 N--CA 1.47 0.947 0 CA-C-N 115.758 -0.655 . . . . 99.99 111.696 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.86 55.36 2.6 Favored Glycine 0 C--N 1.343 0.949 0 N-CA-C 112.164 -0.375 . . . . 99.99 112.164 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.72 72.91 8.78 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.483 0.659 . . . . 99.99 109.757 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -75.18 -11.64 60.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.017 -0.992 . . . . 99.99 111.319 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 155.17 29.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.045 -1.094 . . . . 99.99 108.045 175.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' D' ' 93' ' ' GLN . 73.5 mt -85.22 77.93 9.92 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 174.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 26.8 m -93.49 -50.71 5.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.085 -0.961 . . . . 99.99 110.873 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.09 -64.47 0.3 Allowed Glycine 0 C--N 1.342 0.879 0 C-N-CA 121.443 -0.408 . . . . 99.99 112.945 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -38.01 -77.82 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.043 1.737 . . . . 99.99 114.905 -165.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -74.56 -42.11 59.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.167 0.587 . . . . 99.99 111.156 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -68.31 -16.62 64.01 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.578 0.751 . . . . 99.99 112.401 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 -36.27 27.2 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.996 0.518 . . . . 99.99 110.441 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.84 19.1 11.57 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.985 1.314 . . . . 99.99 111.726 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt 64.43 -71.72 0.07 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.702 1.601 . . . . 99.99 111.759 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 64.66 12.49 7.6 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.242 . . . . 99.99 111.235 -175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.83 165.86 11.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.465 0.706 . . . . 99.99 110.508 -171.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 58' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' E' ' 68' ' ' ILE . 2.0 m -95.26 -24.03 16.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.017 0.927 . . . . 99.99 112.179 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 126.15 28.38 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.445 0.698 . . . . 99.99 109.83 -170.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m 71.54 -71.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.498 1.519 . . . . 99.99 110.706 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -134.43 164.66 26.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.039 0.936 . . . . 99.99 110.271 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . 0.673 ' HE2' ' HB2' ' E' ' 34' ' ' ALA . 0.0 OUTLIER -151.73 136.04 10.0 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.24 1.016 . . . . 99.99 108.495 -177.032 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -50.25 -58.19 1.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.931 2.42 . . . . 99.99 112.442 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' E' ' 33' ' ' ALA . . . -164.25 82.72 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.316 0.646 . . . . 99.99 110.37 176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -137.78 153.12 49.72 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.392 0.677 . . . . 99.99 109.835 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -86.78 -57.51 2.95 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.585 0.754 . . . . 99.99 109.95 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 36.1 pt -117.99 -168.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.703 0.801 . . . . 99.99 110.636 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . 0.467 ' HA ' ' OG ' ' E' ' 58' ' ' SER . 2.4 mp -65.25 -22.49 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.297 1.039 . . . . 99.99 111.873 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -45.05 119.12 1.89 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.215 1.406 . . . . 99.99 112.404 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.59 17.05 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.951 -1.022 . . . . 99.99 108.89 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 pt -113.37 145.49 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.678 0.791 . . . . 99.99 109.963 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 -54.29 4.71 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.23 -0.205 . . . . 99.99 112.814 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.03 98.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.924 0.889 . . . . 99.99 111.658 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.28 166.63 23.26 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.6 -1.0 . . . . 99.99 110.6 172.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -96.58 87.42 4.38 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.604 0.702 . . . . 99.99 110.647 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' E' ' 308' ' ' CYS . . . -69.41 139.64 32.39 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.65 -0.704 . . . . 99.99 113.478 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -144.38 -72.22 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.304 0.642 . . . . 99.99 110.805 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 78' ' ' SER . . . . . 0.408 ' HB2' ' HB ' ' E' ' 307' ' ' THR . 15.2 m -72.17 -14.52 61.83 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 112.553 0.575 . . . . 99.99 112.553 -171.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . 0.642 ' HB3' ' H ' ' E' ' 307' ' ' THR . 10.0 pt-20 -63.87 -14.55 54.21 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.983 0.913 . . . . 99.99 113.109 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' E' ' 3' ' ' GLN . 90.6 mt -60.65 98.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 C-N-CA 123.658 0.783 . . . . 99.99 110.126 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -110.71 147.02 35.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.762 0.825 . . . . 99.99 109.84 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.8 -0.82 47.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.704 0.801 . . . . 99.99 111.604 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.2 93.09 2.28 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.165 0.586 . . . . 99.99 111.846 -173.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . 0.431 ' HG2' ' HE2' ' E' ' 2' ' ' LYS . 0.0 OUTLIER -103.56 -30.65 10.37 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.128 0.571 . . . . 99.99 109.868 170.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -127.79 147.29 50.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.537 1.135 . . . . 99.99 108.739 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 54.09 79.57 0.13 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.207 1.003 . . . . 99.99 109.726 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.66 74.71 2.03 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.835 -176.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -79.62 77.97 6.2 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.579 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.08 -165.4 41.28 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 115.353 -0.84 . . . . 99.99 113.187 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.11 76.31 0.37 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.358 1.063 . . . . 99.99 110.891 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.59 -80.76 0.72 Allowed Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.757 -0.656 . . . . 99.99 112.305 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.92 -177.2 30.72 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.994 0.219 . . . . 99.99 112.854 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -104.7 163.42 12.5 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.167 0.987 . . . . 99.99 110.157 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.92 160.05 16.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.33 0.652 . . . . 99.99 111.625 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 123.88 32.15 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.017 -1.105 . . . . 99.99 108.017 168.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.59 -55.05 0.09 OUTLIER Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.776 -0.53 . . . . 99.99 111.776 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.466 HG22 ' SD ' ' D' ' 94' ' ' MET . 48.7 mt -74.79 93.02 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.458 0.703 . . . . 99.99 109.751 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.87 -16.54 47.19 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 115.6 -0.727 . . . . 99.99 109.717 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.03 30.54 0.94 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.431 1.092 . . . . 99.99 112.124 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 tp -110.13 94.87 19.22 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -98.02 3.84 1.36 Allowed 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.488 2.792 . . . . 99.99 111.453 162.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tt 62.31 121.52 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.837 1.655 . . . . 99.99 110.074 -165.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 30.4 p -69.06 99.37 1.09 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.499 -0.773 . . . . 99.99 111.17 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.83 -5.78 56.73 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.148 -0.933 . . . . 99.99 113.491 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 63.53 -70.45 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.773 1.229 . . . . 99.99 110.627 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . 0.42 ' HB3' ' HD1' ' E' ' 108' ' ' HIS . 48.8 m-85 -102.83 106.92 17.6 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.076 0.95 . . . . 99.99 108.443 164.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -71.45 92.29 1.09 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.721 0.772 . . . . 99.99 110.277 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . 0.42 ' HD1' ' HB3' ' E' ' 106' ' ' TYR . 20.9 m80 -123.93 45.0 2.58 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.042 1.337 . . . . 99.99 108.712 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -89.83 -59.76 2.12 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.591 -0.731 . . . . 99.99 111.843 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.43 -64.7 1.1 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.006 0.522 . . . . 99.99 111.104 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.444 HD22 ' HD1' ' D' ' 133' ' ' PHE . 6.5 mp -85.21 78.17 9.87 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.385 -0.825 . . . . 99.99 109.013 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -169.56 -84.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.074 -0.966 . . . . 99.99 109.12 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -113.84 92.09 3.86 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 173.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . 0.736 ' HZ1' ' HB3' ' E' ' 114' ' ' LYS . 3.7 ttpm? -99.93 108.6 20.87 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.093 0.957 . . . . 99.99 108.788 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 61.6 p -113.71 -52.98 2.72 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.057 0.943 . . . . 99.99 110.315 -176.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.81 53.15 2.98 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.966 -0.561 . . . . 99.99 113.097 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' E' ' 117' ' ' LYS . 33.3 ttmt -167.11 127.56 1.18 Allowed Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.023 0.529 . . . . 99.99 109.901 -176.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' E' ' 117' ' ' LYS . 3.5 Cg_exo -78.82 25.68 0.55 Allowed 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.835 3.023 . . . . 99.99 114.835 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 68.62 163.24 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.605 1.162 . . . . 99.99 112.056 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . 0.418 ' HB3' HD12 ' D' ' 136' ' ' LEU . 62.4 t80 -142.45 -5.65 0.94 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.441 0.697 . . . . 99.99 110.788 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 5.7 t -89.7 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 CA-C-O 117.848 -1.072 . . . . 99.99 108.495 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m 55.27 27.34 9.66 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 120.264 1.393 . . . . 99.99 110.993 -172.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . 0.442 ' HB2' ' HB2' ' D' ' 129' ' ' ALA . 2.6 p30 -62.72 -27.54 69.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.047 1.339 . . . . 99.99 112.827 -172.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 14.1 p -41.44 101.3 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.783 1.633 . . . . 99.99 114.493 -174.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.17 91.39 2.27 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.281 1.032 . . . . 99.99 108.411 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -147.69 167.81 23.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.59 0.756 . . . . 99.99 110.567 -176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.0 m -141.13 141.05 34.21 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.748 0.819 . . . . 99.99 110.448 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.16 142.71 2.31 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.023 0.929 . . . . 99.95 109.437 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.1 t -163.36 119.55 1.76 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.339 0.656 . . . . 99.99 110.158 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 124' ' ' PRO . . . -174.74 125.82 0.29 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.981 1.313 . . . . 99.99 109.089 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.644 ' HE1' ' HB3' ' D' ' 32' ' ' PHE . 8.9 t90 -110.72 146.8 35.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.709 0.404 . . . . 99.99 110.298 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 32.1 p -65.9 164.74 14.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.51 1.124 . . . . 99.99 113.804 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 174.45 5.86 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.702 -1.135 . . . . 99.99 109.544 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.67 164.19 32.99 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 116.41 -0.359 . . . . 99.66 112.911 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . 0.515 HG12 HG21 ' E' ' 137' ' ' THR . 6.3 p -160.47 143.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.44 1.096 . . . . 99.99 109.332 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.42 99.33 0.08 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.514 0.725 . . . . 99.99 110.159 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 137' ' ' THR . . . . . 0.519 ' OG1' HD12 ' C' ' 13' ' ' ILE . 6.4 p -126.31 158.38 35.95 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.202 1.001 . . . . 99.99 110.347 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -171.35 139.75 1.35 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.989 0.916 . . . . 99.99 109.208 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -168.47 160.86 11.42 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.935 0.772 . . . . 99.99 109.026 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.47 157.32 42.19 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 115.765 1.066 . . . . 99.99 115.765 -171.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.402 ' HB3' ' CD2' ' C' ' 107' ' ' PHE . . . -163.49 -154.91 0.3 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.993 1.317 . . . . 99.99 109.117 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.2 -48.31 76.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.251 0.834 . . . . 99.99 113.251 -168.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 67.3 69.73 1.3 Allowed Glycine 0 N--CA 1.469 0.866 0 O-C-N 123.558 0.537 . . . . 99.99 112.918 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.542 ' HB ' HD13 ' C' ' 44' ' ' LEU . 2.5 t -109.02 80.46 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.631 ' HB2' ' SD ' ' E' ' 286' ' ' MET . 2.5 m-20 -118.56 132.16 56.21 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 17.3 tt -150.48 145.58 16.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 109.097 -0.705 . . . . 99.99 109.097 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 88.67 4.23 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.794 -1.187 . . . . 99.99 107.794 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -93.72 47.84 1.25 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.459 1.123 . . . . 99.99 111.513 -166.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -140.83 156.88 46.04 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.742 -1.117 . . . . 99.99 108.228 160.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.53 160.91 24.14 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 123.686 0.616 . . . . 99.99 110.732 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -49.93 140.08 16.35 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.323 1.049 . . . . 99.99 110.578 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . 0.563 ' HA ' ' HG3' ' E' ' 156' ' ' GLU . 11.1 Cg_endo -53.33 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.521 2.147 . . . . 99.99 112.566 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 153' ' ' THR . . . . . 0.48 HG21 ' H ' ' E' ' 154' ' ' ILE . 1.6 m -129.43 -158.61 0.9 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.352 -1.351 . . . . 99.99 107.352 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . 0.48 ' H ' HG21 ' E' ' 153' ' ' THR . 2.1 mp -63.65 -33.07 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.19 0.905 . . . . 99.99 111.193 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' E' ' 153' ' ' THR . 0.0 OUTLIER -58.09 -29.76 65.7 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.415 0.686 . . . . 99.99 112.466 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' E' ' 265' ' ' LEU . 28.0 mm-40 -59.78 -29.48 68.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -106.77 -20.69 13.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.153 0.581 . . . . 99.99 111.487 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -94.91 -39.12 10.38 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.202 0.815 . . . . 99.99 113.202 -169.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.13 -12.11 53.55 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.46 1.104 . . . . 99.99 113.707 -165.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.91 63.72 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.501 0.721 . . . . 99.99 111.275 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -118.8 -36.47 3.45 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.176 0.991 . . . . 99.99 109.592 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.18 -140.67 38.04 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 114.95 -1.023 . . . . 99.99 112.996 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 15.4 tp -118.91 32.36 6.17 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.51 81.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.778 . . . . 99.99 111.56 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 15.1 t -94.32 18.6 10.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.523 0.729 . . . . 99.99 110.936 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -74.98 86.09 0.78 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.358 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 8.6 t30 65.99 12.59 8.54 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 124.93 1.292 . . . . 99.99 112.044 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.82 96.82 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.209 0 C-N-CA 123.777 0.831 . . . . 99.99 111.451 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 23.3 t 61.8 6.99 1.79 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.324 1.449 . . . . 99.99 112.228 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 72.6 p 44.22 42.13 4.85 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.206 1.402 . . . . 99.99 111.004 -165.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.77 81.98 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.757 -1.11 . . . . 99.99 112.568 -170.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.84 29.8 16.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.202 1.001 . . . . 99.99 111.265 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.08 -29.7 69.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.332 1.053 . . . . 99.99 112.225 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.61 150.55 36.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.62 174.88 10.97 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.67 0.788 . . . . 99.99 109.183 171.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 75.27 8.36 3.95 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.721 1.208 . . . . 99.99 111.803 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.5 m -60.17 112.27 5.21 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.742 0.817 . . . . 99.99 108.916 173.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -59.28 -57.05 1.02 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.078 2.519 . . . . 99.99 113.114 -165.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.1 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.569 1.148 . . . . 99.99 111.265 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -84.28 84.19 7.71 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.1 160.55 15.23 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.55 0.74 . . . . 99.99 111.398 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.16 160.53 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.181 0.993 . . . . 99.99 109.403 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.05 60.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.364 0.666 . . . . 99.99 111.563 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 77.15 -47.74 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.983 1.713 . . . . 99.99 110.947 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 25.2 m -86.27 23.97 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.105 0.962 . . . . 99.99 110.54 168.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 32.5 m -51.87 102.6 0.05 OUTLIER 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.539 1.536 . . . . 99.99 112.278 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 22.7 t -145.1 179.32 7.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.625 1.17 . . . . 99.99 108.674 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -65.77 -49.62 67.67 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.444 0.698 . . . . 99.99 112.004 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 47.69 83.86 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.043 1.337 . . . . 99.99 111.957 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . 0.605 ' HA ' ' HG2' ' E' ' 215' ' ' GLU . 41.6 t 75.18 -60.51 0.51 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.195 1.398 . . . . 99.99 111.616 -174.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -81.41 93.13 6.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.107 0.963 . . . . 99.99 110.242 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -168.58 -60.39 0.03 OUTLIER Glycine 0 C--N 1.345 1.061 0 CA-C-O 119.205 -0.775 . . . . 99.99 113.129 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . 0.482 ' HG2' ' HA ' ' E' ' 212' ' ' SER . 18.4 Cg_endo -58.45 148.68 79.31 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.424 2.083 . . . . 99.99 112.049 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 194' ' ' SER . . . . . 0.55 ' HB2' ' HA2' ' E' ' 211' ' ' GLY . 15.5 t 81.54 40.69 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.442 1.897 . . . . 99.99 109.781 -164.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -69.2 151.14 46.69 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.632 -0.713 . . . . 99.99 110.852 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 95.1 m -52.55 -44.82 66.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.127 0.971 . . . . 99.99 111.304 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 32.3 t -127.56 91.07 3.23 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.849 -1.167 . . . . 99.99 107.849 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . 0.572 ' HG2' ' HA2' ' E' ' 208' ' ' GLY . 2.5 tt0 -89.31 57.13 3.89 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.305 1.05 . . . . 99.99 110.62 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.75 85.67 1.18 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.806 -1.553 . . . . 99.99 106.806 167.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . 0.407 ' H ' ' HB3' ' E' ' 203' ' ' ASN . 14.6 p -160.6 162.99 22.29 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 113.659 -1.61 . . . . 99.99 108.506 -170.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -45.25 97.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.35 2.7 . . . . 99.99 113.861 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 89.01 40.61 6.13 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.528 -0.76 . . . . 99.99 112.921 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . 0.407 ' HB3' ' H ' ' E' ' 200' ' ' CYS . 17.7 p-10 -73.75 -69.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.339 0.656 . . . . 99.99 112.167 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 163.04 71.11 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.14 1.776 . . . . 99.99 107.914 -173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 57.0 tp 66.47 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.114 1.366 . . . . 99.99 111.416 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.14 155.49 4.4 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.076 -1.083 . . . . 99.99 108.076 -175.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 64.99 -73.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.435 1.494 . . . . 99.99 109.451 -171.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . 0.572 ' HA2' ' HG2' ' E' ' 198' ' ' GLU . . . -177.91 166.35 36.49 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.127 -1.189 . . . . 99.99 110.127 175.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -97.96 9.66 63.78 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 119.678 -0.512 . . . . 99.99 113.189 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -55.71 0.65 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.281 1.433 . . . . 99.99 110.724 -177.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . 0.55 ' HA2' ' HB2' ' E' ' 194' ' ' SER . . . 175.31 -170.24 43.24 Favored Glycine 0 C--N 1.34 0.797 0 N-CA-C 112.232 -0.347 . . . . 99.99 112.232 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 212' ' ' SER . . . . . 0.482 ' HA ' ' HG2' ' E' ' 193' ' ' PRO . 49.6 m -75.82 8.65 2.89 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.046 0.939 . . . . 99.99 112.187 178.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.525 ' HA ' ' HG2' ' E' ' 216' ' ' GLN . 56.0 mt -53.03 -35.64 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 99.99 111.217 173.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 23.3 p -56.29 -41.62 76.19 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.049 1.34 . . . . 99.99 112.517 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' E' ' 190' ' ' CYS . 1.8 mp0 -89.59 -46.52 8.6 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.31 0.644 . . . . 99.99 111.709 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' E' ' 213' ' ' ILE . 21.4 pt20 -70.84 -10.72 60.14 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 113.771 1.026 . . . . 99.99 113.771 -164.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 68.36 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.048 0.939 . . . . 99.99 113.288 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.92 160.35 40.26 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.151 0.98 . . . . 99.99 109.725 -174.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 56.98 -81.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.186 1.394 . . . . 99.99 111.47 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . 0.418 ' HB2' ' HA ' ' E' ' 224' ' ' VAL . . . -66.6 -53.54 33.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.936 0.894 . . . . 99.99 110.022 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . 0.624 ' HG3' ' H ' ' E' ' 222' ' ' ALA . 29.8 ptt180 39.11 -81.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 126.403 1.881 . . . . 99.99 114.013 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . 0.624 ' H ' ' HG3' ' E' ' 221' ' ' ARG . . . -91.09 112.98 25.13 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.83 109.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.822 1.249 . . . . 99.99 109.743 -169.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . 0.418 ' HA ' ' HB2' ' E' ' 220' ' ' ALA . 22.0 m -72.83 157.71 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.595 0.758 . . . . 99.99 111.387 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 14.8 t -112.75 171.41 7.55 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.461 1.104 . . . . 99.99 109.556 175.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 50.4 tp 67.17 86.01 0.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 99.99 111.018 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -113.88 137.0 13.77 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.613 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 99.58 -131.98 10.76 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -90.7 -117.75 1.98 Allowed Glycine 0 C--N 1.346 1.094 0 CA-C-O 119.748 -0.473 . . . . 99.99 111.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.51 34.82 25.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.726 1.21 . . . . 99.99 112.45 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -135.53 75.92 1.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 122.111 0.957 . . . . 99.99 109.502 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 232' ' ' THR . . . . . 0.501 HG21 ' H ' ' E' ' 234' ' ' ALA . 9.0 t -70.03 -24.2 63.23 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.96 -1.018 . . . . 99.99 110.433 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 60.66 28.38 18.09 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.588 1.155 . . . . 99.99 111.151 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . 0.501 ' H ' HG21 ' E' ' 232' ' ' THR . . . 57.57 52.22 8.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.243 1.017 . . . . 99.99 110.358 -172.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . 0.499 ' HB3' HG22 ' E' ' 238' ' ' THR . 32.4 tt0 -60.13 125.13 22.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.704 0.802 . . . . 99.99 110.494 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 46.3 p -74.14 -30.22 62.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.118 0.567 . . . . 99.99 110.681 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -74.76 -3.31 30.88 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.831 0.853 . . . . 99.99 112.759 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 238' ' ' THR . . . . . 0.499 HG22 ' HB3' ' E' ' 235' ' ' GLU . 40.0 p -58.13 -36.57 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.456 0.646 . . . . 99.99 110.594 173.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.21 131.48 55.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.04 -1.096 . . . . 99.99 108.04 168.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -60.03 -48.9 83.83 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.243 -0.743 . . . . 99.99 111.243 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -136.93 107.94 6.71 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.476 1.11 . . . . 99.99 108.007 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -58.89 118.16 5.45 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.756 0.422 . . . . 99.99 110.402 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.49 120.1 11.04 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.646 0.778 . . . . 99.99 109.162 -176.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 129.62 -70.55 0.51 Allowed Glycine 0 C--O 1.24 0.496 0 N-CA-C 109.165 -1.574 . . . . 99.99 109.165 -173.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 56.68 31.85 20.03 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.597 1.159 . . . . 99.99 111.7 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.9 t -130.25 130.96 45.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.422 -0.808 . . . . 99.99 110.278 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.23 -15.73 49.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.007 0.923 . . . . 99.99 110.217 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.6 -51.8 60.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.254 1.022 . . . . 99.99 110.353 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -80.76 -13.64 58.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.694 0.798 . . . . 99.99 111.827 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -62.54 -3.13 1.3 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.398 1.079 . . . . 99.99 112.878 163.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -41.33 -13.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 116.463 2.023 . . . . 99.99 116.463 175.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.92 -39.1 65.54 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.692 0.678 . . . . 99.99 111.976 167.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.59 0.44 57.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.635 1.174 . . . . 99.99 112.062 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.7 148.14 52.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.327 0.651 . . . . 99.99 110.754 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.59 98.9 0.09 OUTLIER Glycine 0 C--N 1.35 1.311 0 O-C-N 124.389 1.055 . . . . 99.99 113.144 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.9 162.99 30.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.622 1.169 . . . . 99.99 109.866 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 75.51 -49.59 0.63 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.833 1.653 . . . . 99.99 110.028 -165.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 84.1 mt 65.34 -169.05 0.2 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.7 1.2 . . . . 99.99 111.843 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . 0.688 ' HB ' ' HB1' ' E' ' 263' ' ' ALA . 38.4 t 57.21 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 99.99 109.634 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 51.6 p -54.6 118.96 4.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.819 -1.082 . . . . 99.99 111.602 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 31.3 t70 77.0 -52.48 0.57 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.433 1.493 . . . . 99.99 113.044 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.71 -19.17 63.57 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.65 0.981 . . . . 99.99 113.65 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . 0.688 ' HB1' ' HB ' ' E' ' 259' ' ' VAL . . . -84.47 -18.95 34.21 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.817 0.447 . . . . 99.99 111.837 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 31.0 m 59.96 11.08 2.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.468 1.107 . . . . 99.99 112.203 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' E' ' 156' ' ' GLU . 8.0 tt 55.95 96.83 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.491 1.517 . . . . 99.99 110.678 -170.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 72.7 -62.05 0.48 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.782 1.233 . . . . 99.99 112.591 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 12.3 m -83.09 58.96 4.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.657 1.183 . . . . 99.99 111.582 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.97 -38.64 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.526 -0.761 . . . . 99.99 109.806 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 15.2 t -85.74 134.95 33.93 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.515 -0.766 . . . . 99.99 108.934 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.75 60.8 3.45 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.833 0.853 . . . . 99.99 110.344 -165.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.149 -0.932 . . . . 99.99 112.901 -173.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -66.86 -55.52 14.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.537 0.684 . . . . 99.99 110.083 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -149.66 133.65 17.08 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.88 -1.896 . . . . 99.99 105.88 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.79 -40.7 89.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.125 0.891 . . . . 99.99 111.83 -162.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' E' ' 278' ' ' LEU . 13.0 mmmt -112.74 126.19 28.7 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.802 -0.814 . . . . 99.99 108.802 164.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' E' ' 275' ' ' LYS . 73.8 Cg_endo -88.92 -74.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.724 2.283 . . . . 99.99 113.009 -174.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.6 -32.66 31.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.059 0.944 . . . . 99.99 109.663 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' E' ' 275' ' ' LYS . 71.8 mt -67.27 132.34 47.55 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.996 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.3 98.19 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.877 0.736 . . . . 99.99 113.325 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.5 pp -163.32 -175.62 4.35 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.73 1.212 . . . . 99.99 108.774 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.489 ' HZ ' HG11 ' C' ' 58' ' ' VAL . 73.3 t80 -152.14 -81.05 0.1 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 171.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' E' ' 145' ' ' ASP . . . -102.79 9.96 38.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.772 0.829 . . . . 99.99 110.126 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.65 88.85 1.29 Allowed 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.372 1.069 . . . . 99.99 110.37 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 147.06 -144.55 12.73 Favored Glycine 0 C--N 1.34 0.799 0 CA-C-N 114.622 -1.172 . . . . 99.99 110.778 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -150.29 126.19 10.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.795 0.838 . . . . 99.99 109.299 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.631 ' SD ' ' HB2' ' E' ' 145' ' ' ASP . 89.1 mtp -116.24 92.84 37.38 Favored Pre-proline 0 CA--C 1.552 1.036 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.13 93.73 0.19 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.466 2.777 . . . . 99.99 113.523 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 49.1 t -128.61 122.13 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 172.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -121.7 -160.32 0.86 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.929 0.892 . . . . 99.99 109.453 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.6 115.31 9.62 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.438 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.67 104.91 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.8 99.74 0.89 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.061 2.508 . . . . 99.99 113.088 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -120.13 157.05 29.83 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.713 0.805 . . . . 99.99 108.854 168.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.46 6.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.201 0.6 . . . . 99.99 109.934 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 52.0 m -61.14 -45.95 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.445 0.698 . . . . 99.99 111.001 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -76.23 80.25 3.02 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 122.259 1.028 . . . . 99.99 108.649 174.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -171.06 114.41 0.41 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 113.218 -1.81 . . . . 99.99 107.488 -177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 145.67 -174.14 25.76 Favored Glycine 0 C--N 1.342 0.867 0 O-C-N 123.235 0.334 . . . . 99.99 113.232 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.61 86.62 0.9 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.344 1.058 . . . . 99.99 110.577 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 50.8 mt -95.12 81.35 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.407 0.683 . . . . 99.99 109.639 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -155.44 164.78 38.24 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.61 1.164 . . . . 99.99 109.83 171.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -139.74 148.83 57.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.52 1.128 . . . . 99.99 109.113 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.22 129.35 25.3 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.184 2.589 . . . . 99.99 113.093 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -89.71 135.83 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.423 -0.808 . . . . 99.99 111.264 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.527 HG22 ' HG2' ' B' ' 130' ' ' PRO . 28.7 m -106.18 156.53 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 123.267 0.627 . . . . 99.99 110.318 174.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 307' ' ' THR . . . . . 0.642 ' H ' ' HB3' ' E' ' 79' ' ' GLU . 42.4 m -136.35 111.91 9.31 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.807 0.843 . . . . 99.99 109.724 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.456 ' HA ' ' HA2' ' E' ' 76' ' ' GLY . 12.8 m -105.45 173.75 6.17 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.511 0.725 . . . . 99.99 109.478 173.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 75.9 p -127.42 148.17 65.32 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.0 0.92 . . . . 99.99 108.596 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.58 -45.71 20.4 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.393 2.062 . . . . 99.99 111.512 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 57.4 t30 57.69 81.11 0.26 Allowed Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 124.603 1.189 . . . . 99.99 111.011 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.61 114.29 3.21 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.844 2.362 . . . . 99.99 112.129 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -75.12 92.8 2.7 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 66.45 -166.02 0.22 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.083 1.353 . . . . 99.99 111.701 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.64 5.87 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.717 0.807 . . . . 99.99 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.09 164.34 21.81 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.751 0.82 . . . . 99.99 110.668 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 317' ' ' SER . . . . . 0.412 ' HB2' ' HB3' ' E' ' 40' ' ' ALA . 58.4 m -82.93 152.61 25.44 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.083 -0.962 . . . . 99.99 112.028 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 31.2 m -81.74 154.62 70.82 Favored Pre-proline 0 CA--C 1.557 1.215 0 CA-C-N 115.352 -0.84 . . . . 99.99 111.333 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.06 88.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 122.959 2.439 . . . . 99.99 112.401 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.5 p -141.09 179.9 6.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.017 1.327 . . . . 99.99 109.518 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.511 ' H ' HD21 ' E' ' 321' ' ' LEU . 1.6 pt? -108.07 -53.74 2.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.325 0.65 . . . . 99.99 110.583 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -81.98 74.9 8.94 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.575 0.702 . . . . 99.99 109.447 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -94.83 156.92 16.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.057 -0.974 . . . . 99.99 112.32 -174.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.731 ' HA ' ' HA ' ' E' ' 38' ' ' ILE . 64.8 mtt 63.55 83.64 0.16 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.057 1.343 . . . . 99.99 111.493 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 43.9 p -68.58 115.77 8.35 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.702 -1.135 . . . . 99.99 110.205 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' E' ' 330' ' ' GLU . 32.3 t70 59.46 -109.11 0.42 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.255 1.022 . . . . 99.99 109.402 -170.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' E' ' 329' ' ' ILE . 29.5 tptt 59.73 -173.61 0.11 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.857 0.863 . . . . 99.99 110.495 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . 0.558 ' HA ' ' HB2' ' E' ' 334' ' ' LYS . . . -71.41 -38.93 71.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.424 0.631 . . . . 99.99 110.723 172.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . 0.612 HG23 ' SD ' ' E' ' 324' ' ' MET . 14.6 tt -63.47 -25.13 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -169.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' E' ' 326' ' ' ASP . 0.6 OUTLIER -46.83 -54.46 9.83 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.161 0.984 . . . . 99.99 111.471 -171.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.55 -68.74 0.72 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 171.65 89.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 13.8 t 61.48 12.32 4.33 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.146 0.978 . . . . 99.99 111.854 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 2.2 tmtp? 57.23 -89.49 0.02 OUTLIER 'General case' 0 C--N 1.36 1.061 0 C-N-CA 125.905 1.682 . . . . 99.99 109.068 -171.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 15.4 m120 42.93 -76.04 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.394 1.877 . . . . 99.99 115.284 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 76.18 153.96 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.186 1.795 . . . . 99.99 109.022 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -54.76 146.93 15.88 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.587 0.755 . . . . 99.99 111.694 -175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . 0.456 ' HA3' HD23 ' E' ' 341' ' ' LEU . . . -54.32 105.93 0.42 Allowed Glycine 0 C--N 1.35 1.321 0 O-C-N 124.552 1.158 . . . . 99.99 113.809 -171.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -66.84 94.47 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.599 0.76 . . . . 99.99 110.324 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 61.75 76.43 0.37 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.678 1.191 . . . . 99.99 110.279 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . 0.456 HD23 ' HA3' ' E' ' 338' ' ' GLY . 92.0 mt -62.67 -37.79 87.79 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.878 0.871 . . . . 99.99 111.56 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -156.57 130.15 8.22 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.399 0.679 . . . . 99.99 109.173 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.54 142.97 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.57 159.94 23.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.344 0.658 . . . . 99.99 111.025 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -75.61 -119.15 0.12 Allowed Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.337 -0.705 . . . . 99.99 111.337 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.72 15.99 6.3 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.327 1.051 . . . . 99.99 112.702 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 32.5 m -84.5 -21.93 30.41 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 99.99 110.752 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 16.2 tt -82.44 136.68 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.741 0.816 . . . . 99.99 110.741 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -109.44 152.74 24.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.264 -1.013 . . . . 99.99 108.264 172.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.47 -29.13 67.6 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.446 0.698 . . . . 99.99 111.873 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 63.62 21.31 12.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.83 1.252 . . . . 99.99 111.409 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.93 113.07 23.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.395 -0.821 . . . . 99.99 109.52 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' E' ' 357' ' ' PRO . 65.2 m80 -95.01 -2.15 50.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 99.99 110.512 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 75.21 148.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.906 1.682 . . . . 99.99 111.529 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.7 70.47 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.643 0.777 . . . . 99.99 111.848 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -132.65 90.92 31.55 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.521 ' HB3' ' O ' ' E' ' 353' ' ' HIS . 62.4 Cg_endo -83.4 91.51 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.009 2.473 . . . . 99.99 113.14 -173.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 58.5 m 74.93 -36.44 0.32 Allowed 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.284 1.216 . . . . 99.99 114.284 168.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 68.06 -81.36 0.19 Allowed Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.113 0.387 . . . . 99.99 112.371 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -157.58 103.2 1.92 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.318 1.047 . . . . 99.99 109.639 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 5.5 tt -159.21 93.5 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 124.88 1.272 . . . . 99.99 108.788 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -110.18 88.83 0.53 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.099 -0.801 . . . . 99.99 111.099 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.08 -31.66 72.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.638 0.775 . . . . 99.99 110.951 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 54.5 p 57.46 101.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.953 1.701 . . . . 99.99 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.72 143.36 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.268 0.627 . . . . 99.99 109.81 171.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.49 113.87 14.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.116 0.567 . . . . 99.99 110.836 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.41 -13.64 56.47 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.143 0.977 . . . . 99.99 111.363 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.76 -26.59 63.42 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.792 0.837 . . . . 99.99 112.108 -172.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.09 -24.21 66.66 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.09 0.956 . . . . 99.99 112.342 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.98 -19.11 65.82 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.788 0.435 . . . . 99.99 112.129 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.73 -36.08 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.398 0.679 . . . . 99.99 110.116 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.98 -21.0 63.27 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.383 0.673 . . . . 99.99 111.538 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -65.94 -24.08 66.74 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.881 0.873 . . . . 99.99 111.512 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.5 75.5 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.159 0.583 . . . . 99.99 112.436 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.98 -33.33 74.43 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.352 0.661 . . . . 99.99 110.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.56 -38.92 75.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.296 1.038 . . . . 99.99 111.216 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.74 -52.79 48.31 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.24 1.016 . . . . 99.99 110.879 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.7 72.15 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.987 -1.006 . . . . 99.99 112.353 -171.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.61 -49.18 69.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.475 0.71 . . . . 99.99 111.166 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -75.5 -67.91 0.62 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.805 -0.634 . . . . 99.99 110.974 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.69 111.69 23.61 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.083 -173.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 150.87 157.61 7.9 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 114.691 -1.14 . . . . 99.99 110.386 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 9.1 m120 69.02 -172.71 0.18 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.596 1.159 . . . . 99.99 111.757 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 m 73.99 -60.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.661 1.585 . . . . 99.99 111.795 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.05 -158.75 0.31 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.512 1.125 . . . . 99.99 110.44 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.86 160.3 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.989 0.515 . . . . 99.99 110.447 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 55.5 mt -132.01 103.64 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 108.158 -1.052 . . . . 99.99 108.158 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 45.0 t -80.59 133.56 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.431 0.692 . . . . 99.99 109.32 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 70.1 p -114.13 130.25 56.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.914 0.886 . . . . 99.99 109.512 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.89 118.97 14.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.881 0.472 . . . . 99.99 110.752 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.08 158.52 30.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.265 0.626 . . . . 99.99 110.586 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -153.23 101.43 2.54 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.918 0.487 . . . . 99.99 109.825 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -81.8 141.32 33.59 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.886 0.874 . . . . 99.99 109.899 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . 0.464 ' HA ' ' HB3' ' E' ' 397' ' ' GLN . 45.3 m80 -97.29 -16.32 20.37 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.702 0.801 . . . . 99.99 111.198 174.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -53.23 -48.23 68.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.817 0.847 . . . . 99.99 112.481 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 32.8 p -109.12 24.79 12.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.727 0.811 . . . . 99.99 110.492 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . 0.464 ' HB3' ' HA ' ' E' ' 394' ' ' HIS . 0.9 OUTLIER -136.12 107.8 7.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.702 -0.851 . . . . 99.99 108.702 -173.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . 0.455 HG21 ' HA3' ' E' ' 407' ' ' GLY . 2.5 mp -71.47 118.11 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.425 1.09 . . . . 99.99 109.75 -176.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . 0.66 HG22 ' HD2' ' E' ' 401' ' ' PRO . 9.4 p -144.65 165.3 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 123.313 0.645 . . . . 99.99 110.106 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.464 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -79.89 -52.04 1.09 Allowed Pre-proline 0 CA--C 1.564 1.492 0 CA-C-O 118.584 -0.722 . . . . 99.99 112.34 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' E' ' 399' ' ' VAL . 91.0 Cg_endo -95.2 135.54 0.67 Allowed 'Trans proline' 0 C--N 1.39 2.718 0 C-N-CA 121.799 1.666 . . . . 99.99 113.784 172.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 65.21 102.14 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.536 1.534 . . . . 99.99 112.477 170.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.0 m 63.15 80.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.272 1.429 . . . . 99.99 109.694 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' E' ' 399' ' ' VAL . 94.6 mttt -74.2 -66.78 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.827 -1.079 . . . . 99.99 110.834 -172.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 59.98 104.69 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 125.072 1.349 . . . . 99.99 111.287 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.02 95.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.961 2.441 . . . . 99.99 112.444 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . 0.455 ' HA3' HG21 ' E' ' 398' ' ' ILE . . . -88.13 46.07 3.36 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.597 -0.729 . . . . 99.99 113.624 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 57.66 20.67 6.53 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.003 1.321 . . . . 99.99 112.927 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 3.6 t -90.63 78.07 6.29 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 108.301 -0.999 . . . . 99.99 108.301 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 65.12 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.412 1.485 . . . . 99.99 110.714 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . 0.425 ' HB2' HD22 ' E' ' 412' ' ' LEU . . . 59.1 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.603 1.561 . . . . 99.99 113.302 175.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' E' ' 415' ' ' LYS . 0.6 OUTLIER -90.24 16.77 8.02 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.975 0.91 . . . . 99.99 110.922 -177.356 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 7.1 t30 66.85 -81.72 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.175 1.39 . . . . 99.99 111.079 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 8.0 p -67.19 -28.29 67.97 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.012 0.525 . . . . 99.99 110.195 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . 0.542 ' HA ' ' HB2' ' E' ' 412' ' ' LEU . 28.7 ttpp 67.09 -75.18 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.089 1.356 . . . . 99.99 112.555 167.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.71 -31.23 71.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.005 0.922 . . . . 99.99 110.388 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 66.54 53.48 28.15 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 110.4 -1.08 . . . . 99.99 110.4 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -79.44 53.71 1.59 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.906 1.283 . . . . 99.99 112.517 -167.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.7 m -157.98 174.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 124.818 1.247 . . . . 99.99 110.545 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 56.86 7.0 0.36 Allowed 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 117.003 2.223 . . . . 99.99 117.003 158.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 37.7 t -93.66 -54.25 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.065 0.848 . . . . 99.99 109.457 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 422' ' ' MET . . . . . 0.515 ' HE2' ' HB3' ' E' ' 424' ' ' TYR . 21.7 ttt 57.99 -85.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.016 1.326 . . . . 99.99 112.038 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.6 t 54.83 76.41 0.25 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.818 0.847 . . . . 99.99 109.046 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . 0.515 ' HB3' ' HE2' ' E' ' 422' ' ' MET . 14.1 p90 -60.71 97.54 0.06 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 115.041 -0.982 . . . . 99.99 112.175 -173.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -92.13 11.15 72.86 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.367 -0.833 . . . . 99.99 112.794 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' E' ' 428' ' ' GLU . 7.3 t30 -130.94 -59.16 1.0 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.91 0.884 . . . . 99.99 109.438 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 48.1 p 38.83 37.91 0.24 Allowed 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 125.935 1.694 . . . . 99.99 113.485 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . 0.447 ' H ' ' ND2' ' E' ' 426' ' ' ASN . 23.2 mt-10 62.47 -96.46 0.06 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 125.268 1.427 . . . . 99.99 111.796 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -89.01 -27.72 20.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.908 0.483 . . . . 99.99 110.785 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.56 -60.96 2.39 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.217 0.607 . . . . 99.99 112.133 -167.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -67.62 -26.39 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.205 0.817 . . . . 99.99 113.205 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.11 -27.49 63.63 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.588 0.631 . . . . 99.99 110.799 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 52.92 46.35 26.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.136 0.974 . . . . 99.99 111.24 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 48.3 m80 69.58 -77.59 0.05 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.309 1.444 . . . . 99.99 110.651 -173.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 68.0 m 60.1 88.45 0.08 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.727 1.211 . . . . 99.99 110.213 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -68.82 137.38 30.17 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.475 175.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 16.7 m -56.89 -39.47 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.881 0.872 . . . . 99.99 111.0 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.34 91.96 6.49 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.474 -1.239 . . . . 99.99 108.636 171.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . 0.462 ' H ' HD11 ' E' ' 439' ' ' LEU . 0.0 OUTLIER -115.22 16.44 16.9 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.121 0.968 . . . . 99.99 110.313 175.469 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.677 HH22 HG23 ' A' ' 59' ' ' VAL . 2.1 mpt_? -79.74 -29.76 40.64 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.544 -0.753 . . . . 99.99 110.343 -170.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 74.1 mt 71.54 -66.11 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 125.105 1.362 . . . . 99.99 112.263 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.94 -169.97 1.48 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.071 1.348 . . . . 99.99 113.261 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -63.35 149.16 46.45 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.433 1.093 . . . . 99.99 111.539 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . 0.509 ' HB3' HD23 ' A' ' 51' ' ' LEU . 89.5 m-85 -73.56 -85.42 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.197 0.599 . . . . 99.99 111.196 -174.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -171.03 169.15 42.24 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.59 -0.561 . . . . 99.99 112.814 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -78.36 168.76 21.09 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.232 2.622 . . . . 99.99 113.086 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 3.7 p80 -109.67 -37.86 5.56 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.604 0.362 . . . . 99.99 111.77 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 59.71 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.374 1.07 . . . . 99.99 110.427 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 174.51 156.8 0.15 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.797 1.639 . . . . 99.99 108.312 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.13 165.7 31.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -27.23 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-O 121.592 0.71 . . . . 99.99 111.349 175.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 54' ' ' ASP . 31.3 m -84.96 -159.08 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-N 114.813 -1.085 . . . . 99.99 113.042 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 54' ' ' ASP . . . 170.28 118.83 0.47 Allowed Glycine 0 C--N 1.35 1.318 0 N-CA-C 109.671 -1.372 . . . . 99.99 109.671 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 56' ' ' TYR . 67.5 tp -61.78 91.23 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 117.87 0.835 . . . . 99.99 111.349 -172.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 40.1 p -86.65 115.43 24.1 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.146 0.979 . . . . 99.99 108.395 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.65 163.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.816 1.246 . . . . 99.99 111.913 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -134.56 99.81 4.46 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.14 0.976 . . . . 99.99 109.411 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 458' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 98' ' ' LEU . 55.9 m -84.42 138.03 33.05 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.508 0.723 . . . . 99.99 110.335 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.56 -176.42 3.61 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.778 0.831 . . . . 99.99 110.438 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.7 106.55 3.57 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.669 -0.696 . . . . 99.99 109.174 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -90.94 22.64 3.54 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.898 0.879 . . . . 99.99 113.053 -169.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -162.72 159.37 24.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.067 0.547 . . . . 99.99 111.397 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 39.6 m -101.96 124.83 48.24 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.302 -0.999 . . . . 99.99 108.302 170.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.501 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 1.6 tmt? -95.42 144.12 26.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.896 0.478 . . . . 99.99 110.544 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -145.78 119.89 9.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.335 1.054 . . . . 99.99 109.416 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -165.94 170.45 13.7 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.575 0.75 . . . . 99.99 110.616 172.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.34 165.22 37.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.338 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 83.4 mt -98.95 124.1 43.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 124.046 0.938 . . . . 99.99 109.946 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -76.11 78.16 1.28 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.748 -0.941 . . . . 99.99 110.748 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.27 80.84 3.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 106.409 -1.7 . . . . 99.99 106.409 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 124.53 1.132 . . . . 99.99 108.329 -166.43 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.447 -0.575 . . . . 99.99 109.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 7' ' ' THR . 11.3 t 63.37 -154.75 0.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 99.99 110.825 172.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.93 91.61 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.879 1.271 . . . . 99.99 109.21 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 74.91 -17.62 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.742 1.617 . . . . 99.99 112.409 -171.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.447 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.7 OUTLIER -95.92 36.44 1.3 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.195 0.998 . . . . 99.99 109.459 177.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 67.06 126.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.603 1.561 . . . . 99.99 110.528 -171.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 41.5 p -67.28 -62.01 1.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.073 0.549 . . . . 99.99 110.921 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -170.98 -47.73 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.322 1.049 . . . . 99.99 109.656 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -101.83 138.05 39.31 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 170.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -151.76 145.81 25.27 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.182 0.515 . . . . 99.99 111.719 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.511 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 41.9 t80 -129.9 112.7 13.8 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.682 -1.599 . . . . 99.99 106.682 168.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -136.43 125.55 24.53 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 34.4 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' HG23 ' B' ' 122' ' ' THR . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 17.02 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HB1' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 50.99 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 ' SD ' ' B' ' 117' ' ' MET . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 18.45 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 13.15 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 6.92 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 22.19 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 43.73 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' O ' HG21 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' HE21 ' A' ' 33' ' ' GLN . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' A' ' 30' ' ' HIS . 51.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 63.88 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' E' ' 468' ' ' LEU . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 73.6 108.959 171.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' SD ' ' E' ' 464' ' ' MET . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 99.99 110.104 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.585 ' HA ' ' HB2' ' E' ' 460' ' ' LEU . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 50.91 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 67.81 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 99.99 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 81.17 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB3' ' HB1' ' E' ' 251' ' ' ALA . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' E' ' 251' ' ' ALA . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.603 ' HB2' HD13 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.23 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 75.11 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.549 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 32.98 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 27.21 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 28.74 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 35.81 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 19.33 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 29.68 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 25.47 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 80.58 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.614 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 99.99 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.601 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 40.21 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 30.66 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 59.79 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 30.86 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.569 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 20.96 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 21.28 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.469 ' HA3' HD22 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 80.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m -76.11 107.67 8.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' A' ' 94' ' ' MET . 2.6 pp -133.3 134.42 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.824 0.85 . . . . 99.99 109.528 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -174.23 167.51 4.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.688 1.195 . . . . 99.99 109.923 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.88 -8.7 76.24 Favored Glycine 0 C--N 1.351 1.392 0 O-C-N 123.387 0.429 . . . . 99.99 113.335 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 94' ' ' MET . 0.2 OUTLIER -139.86 178.42 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.796 1.238 . . . . 99.99 109.395 178.302 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.78 -170.64 2.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.28 0.632 . . . . 99.99 111.029 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.34 -155.64 52.62 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-N 115.426 -0.806 . . . . 99.99 113.156 170.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 40.4 p -66.07 -17.93 65.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.149 0.98 . . . . 99.99 111.872 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.52 -56.79 13.26 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.121 0.969 . . . . 99.99 109.544 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.614 ' HB2' HG12 ' A' ' 89' ' ' ILE . 27.8 ttp -75.65 -33.22 60.44 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.57 -0.286 . . . . 99.99 110.726 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 92' ' ' THR . . . -62.99 -37.99 89.36 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 115.794 -0.639 . . . . 99.99 112.166 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -68.97 -23.89 64.18 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 118.335 0.516 . . . . 99.99 110.972 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 t -73.98 -64.06 1.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.895 -0.593 . . . . 99.99 109.417 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.704 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp -77.92 -15.03 59.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 -170.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 134' ' ' ASP . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 99.99 111.614 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 99.99 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.704 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 79.06 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 59.39 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 99.99 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 83.34 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 42.55 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 17.98 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 13.2 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 36.0 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 15.85 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 19.0 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 5.43 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.536 HG13 HG23 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 18.83 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 22.63 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 6.65 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 88.83 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 51.92 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.658 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 39.96 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 11.33 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 32.89 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 19.39 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 30.18 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.41 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 90.79 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD23 HD11 ' E' ' 468' ' ' LEU . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 93.81 111.025 175.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 77.99 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 85.02 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t -99.19 131.52 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -82.59 82.53 7.94 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.079 0.952 . . . . 99.99 109.5 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -69.84 -24.5 63.45 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.427 0.691 . . . . 99.99 110.512 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.497 ' HA ' ' HB2' ' A' ' 100' ' ' ALA . 2.1 m-20 -67.33 -33.33 75.03 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.867 1.267 . . . . 99.99 110.334 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.59 89.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.173 0.989 . . . . 99.99 111.094 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.08 -38.08 45.07 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.168 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.408 ' CD2' ' HZ ' ' E' ' 461' ' ' PHE . 5.5 t80 -72.46 -22.8 61.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.767 0.427 . . . . 99.99 110.75 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 40.2 tpp -59.2 -27.25 65.55 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.748 0.819 . . . . 99.99 110.889 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -73.8 -48.46 31.29 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.359 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -54.06 -39.76 66.53 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.091 0.556 . . . . 99.99 110.44 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.52 -10.87 28.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.561 1.544 . . . . 99.99 112.088 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -143.09 16.76 1.92 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.349 0.66 . . . . 99.99 110.501 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -115.83 -9.54 11.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.71 0.804 . . . . 99.99 110.323 169.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 52.78 88.73 0.03 OUTLIER 'General case' 0 C--N 1.368 1.374 0 C-N-CA 124.911 1.284 . . . . 99.99 111.126 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 65.46 -89.34 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.508 1.123 . . . . 99.99 110.242 -171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.41 -98.2 0.12 Allowed Glycine 0 C--N 1.344 1.002 0 N-CA-C 111.547 -0.621 . . . . 99.99 111.547 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.38 -72.25 0.44 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.971 0.509 . . . . 99.99 109.913 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.2 -79.82 0.34 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 110.673 -0.971 . . . . 99.99 110.673 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 31.7 p -131.42 -48.52 0.99 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.071 0.948 . . . . 99.99 108.9 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 59.24 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.045 1.738 . . . . 99.99 110.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' E' ' 454' ' ' LEU . 0.7 OUTLIER 65.78 162.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.295 1.438 . . . . 99.99 112.771 169.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -69.17 -13.32 62.35 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.024 168.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' E' ' 449' ' ' ALA . 65.0 tt0 -57.72 -19.97 31.09 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.985 1.314 . . . . 99.99 111.81 169.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.54 26.13 2.0 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.637 1.175 . . . . 99.99 110.283 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.37 0 C-N-CA 124.417 1.087 . . . . 99.99 110.572 -175.065 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.501 0.191 . . . . 99.99 110.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -81.16 -150.82 0.08 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 123.051 0.54 . . . . 99.99 110.145 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.23 77.42 0.31 Allowed 'General case' 0 C--N 1.369 1.416 0 C-N-CA 124.217 1.007 . . . . 99.99 108.466 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 23.2 mt-30 -70.24 83.21 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.207 -1.361 . . . . 99.99 112.421 -166.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 30.9 t30 47.04 -92.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.32 1.448 . . . . 99.99 112.188 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -157.25 -45.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.127 1.371 . . . . 99.99 108.494 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -140.03 72.97 1.41 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-N 115.194 -0.912 . . . . 99.99 109.844 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' B' ' 4' ' ' GLN . 39.4 mm-40 -109.11 128.28 54.87 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.337 -0.986 . . . . 99.99 108.337 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' B' ' 87' ' ' ALA . 4.3 ptm 65.82 169.63 0.22 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.254 1.821 . . . . 99.99 112.559 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -156.79 143.94 18.79 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.779 0.831 . . . . 99.99 109.377 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 -150.88 152.22 33.35 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.73 0.812 . . . . 99.99 110.201 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 12' ' ' GLN . 0.0 OUTLIER -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 61.13 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 99.99 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 99.99 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.538 HG22 HD23 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 22.84 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 25.35 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 18.25 108.832 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 41.37 110.373 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.586 HD11 HG12 ' B' ' 78' ' ' VAL . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 15.07 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 29.37 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 11.41 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 27.88 108.866 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 51.27 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' ' HZ ' ' B' ' 123' ' ' PHE . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 99.99 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.547 HG23 HG22 ' E' ' 307' ' ' THR . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 99.89 109.7 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.421 HD23 ' H ' ' E' ' 7' ' ' ALA . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 99.99 110.283 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.819 HD13 ' HA ' ' E' ' 8' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 99.99 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.681 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 89.58 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 50.34 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 99.99 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 44.59 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 98.19 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 93.17 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 98.7 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 99.99 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.469 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 85.08 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 32.75 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.42 HD21 HD22 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 89.85 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 99.99 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.655 HG12 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 30.69 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 50.25 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.479 HG22 HD12 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 27.1 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 27.69 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 28.91 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 82.69 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 84.99 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 91.81 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.419 ' HG2' ' HE ' ' E' ' 314' ' ' ARG . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 39.53 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 37.29 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 21.12 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 29.86 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 13.61 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.586 HG12 HD11 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 13.23 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 36.68 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 12.8 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 51.05 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.469 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 99.99 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 99.23 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.779 ' HB ' HG12 ' E' ' 18' ' ' VAL . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.438 HG12 ' NE2' ' B' ' 4' ' ' GLN . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.411 ' HB2' ' HG3' ' E' ' 17' ' ' PRO . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.528 ' SD ' HG21 ' E' ' 18' ' ' VAL . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 99.37 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 67.76 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 81.59 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 55.65 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 48.03 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 99.99 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 59.06 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.538 HD23 HG22 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 27.15 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 18.14 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' B' ' 16' ' ' ILE . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 25.24 111.068 -176.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 18.19 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.665 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 76.84 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 28.75 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.608 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 30.1 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 17.12 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.81 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 50.71 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 23.64 110.4 173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 49.99 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.491 ' NH2' ' HG2' ' C' ' 112' ' ' GLU . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.436 HG21 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 33.79 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . 0.495 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 28.26 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 39.05 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.475 HD22 HG21 ' E' ' 6' ' ' ILE . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 99.99 108.363 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 99.99 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.665 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 99.99 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' E' ' 306' ' ' VAL . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 64.44 111.702 -179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 75.43 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.99 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -78.89 74.32 5.42 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -85.42 -21.64 28.69 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.861 -1.063 . . . . 99.99 111.468 -170.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.62 -28.6 67.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.056 0.542 . . . . 99.99 110.962 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.19 -46.48 67.37 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.68 -0.691 . . . . 99.99 110.947 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.28 -20.23 60.87 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 119.644 -0.217 . . . . 99.99 110.704 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . 0.454 ' HE2' ' H ' ' E' ' 11' ' ' LEU . 10.7 t80 -69.24 -48.66 61.26 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.625 1.17 . . . . 99.99 108.856 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -62.18 -38.34 88.7 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.378 -1.283 . . . . 99.99 109.493 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -76.41 -29.0 56.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.754 -1.566 . . . . 99.99 110.743 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.01 -33.55 76.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.616 1.167 . . . . 99.99 110.315 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 50.5 mt -76.76 -7.12 54.79 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.688 -0.687 . . . . 99.99 111.229 -177.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.04 -2.76 56.51 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.936 0.894 . . . . 99.99 111.676 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -132.57 157.08 45.64 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.14 -0.689 . . . . 99.99 109.14 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? 68.65 -78.1 0.05 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.311 1.444 . . . . 99.99 109.454 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.39 -81.76 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.607 1.163 . . . . 99.99 110.21 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.54 72.52 Favored Glycine 0 C--N 1.359 1.818 0 C-N-CA 123.754 0.692 . . . . 99.99 114.179 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -102.52 -82.79 0.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.437 -0.949 . . . . 99.99 108.437 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 65.7 85.64 0.07 OUTLIER Glycine 0 C--N 1.358 1.8 0 CA-C-O 119.755 -0.47 . . . . 99.99 112.095 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 4.3 t -52.75 103.63 0.07 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.428 1.091 . . . . 99.99 113.315 -170.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -158.85 100.68 1.6 Allowed 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.81 -1.182 . . . . 99.99 107.81 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.98 11.74 5.34 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.873 1.269 . . . . 99.99 112.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.21 -53.75 4.22 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.502 0.721 . . . . 99.99 110.766 -171.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -94.54 30.28 2.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.157 0.583 . . . . 99.99 110.324 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t70 68.44 -72.88 0.09 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.36 1.464 . . . . 99.99 110.964 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 C-N-CA 124.063 0.945 . . . . 99.99 108.709 177.05 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.518 -0.549 . . . . 99.99 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -156.79 82.07 0.95 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.972 -1.121 . . . . 99.99 107.972 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.753 ' HB3' ' HA2' ' C' ' 91' ' ' GLY . 2.7 mp0 -81.73 0.42 39.09 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.252 -0.885 . . . . 99.99 111.863 -173.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 71.32 122.36 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.946 1.699 . . . . 99.99 112.699 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.18 -29.69 11.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.607 1.163 . . . . 99.99 109.837 172.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -53.66 136.73 38.8 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.332 1.053 . . . . 99.99 111.773 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 42.4 m 78.2 -41.27 0.31 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.768 1.627 . . . . 99.99 113.117 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 63.4 48.11 3.66 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.326 1.051 . . . . 99.99 109.563 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' C' ' 88' ' ' GLY . 26.1 ttm 65.92 141.67 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.019 1.728 . . . . 99.99 113.728 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -119.32 114.78 22.9 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 107.467 -1.309 . . . . 99.99 107.467 166.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -125.48 145.32 50.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.599 0.76 . . . . 99.99 110.543 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.548 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 82.71 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 99.99 111.278 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.41 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . 0.469 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 17.72 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 9.52 109.815 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' C' ' 19' ' ' LYS . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 51.3 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.676 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.445 HG21 ' HE2' ' C' ' 117' ' ' MET . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 13.13 107.492 178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 15.89 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 10.19 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 26.52 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 43.6 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.477 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . 0.435 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 57.64 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.645 HG21 ' HZ2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 78.76 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.645 ' HZ2' HG21 ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 99.99 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 72.29 112.117 -176.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 99.99 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 99.99 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . 0.566 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 99.99 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 90.89 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . 0.434 ' HB2' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 55.92 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 78.18 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 57.25 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 99.99 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 97.58 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 43.88 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 30.1 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 99.67 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 31.81 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' THR . . . . . 0.566 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.79 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.599 HG23 HG21 ' C' ' 114' ' ' ILE . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 29.1 108.901 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.468 HG21 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 36.6 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 38.08 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 65.72 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 99.99 110.492 -176.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 83.21 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 40.89 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 38.89 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 66.65 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.468 HD23 HG21 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 32.91 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 14.84 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.676 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 26.52 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.6 tp-100 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 12.17 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.466 HD12 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 39.17 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.548 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt -151.59 116.18 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.54 4.35 2.61 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.691 0.796 . . . . 99.99 109.341 161.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' C' ' 9' ' ' MET . . . -68.81 100.92 0.73 Allowed Glycine 0 C--N 1.355 1.594 0 O-C-N 123.907 0.754 . . . . 99.99 111.698 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mm -75.14 128.03 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.627 0.771 . . . . 99.99 109.238 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.401 ' H ' ' HB2' ' C' ' 94' ' ' MET . 1.0 OUTLIER -150.86 76.45 1.24 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.636 -1.246 . . . . 99.99 107.636 -174.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.753 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 59.27 -143.86 45.76 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 114.295 -1.321 . . . . 99.99 113.429 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 25.7 m -78.63 -17.38 56.1 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.943 0.897 . . . . 99.99 109.663 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.72 -33.3 75.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.735 0.814 . . . . 99.99 111.645 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.401 ' HB2' ' H ' ' C' ' 90' ' ' GLU . 16.0 tmm? -51.6 -52.81 44.49 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.705 0.402 . . . . 99.99 110.45 167.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.84 -30.61 70.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.75 -1.114 . . . . 99.99 112.031 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -74.52 -49.88 20.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.217 0.607 . . . . 99.99 110.657 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m -63.29 -43.46 97.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.694 . . . . 99.99 110.921 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.5 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . 0.483 ' HA3' HD22 ' E' ' 280' ' ' LEU . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 81.7 114.122 -176.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' C' ' 134' ' ' ASP . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 68.22 110.586 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.405 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 85.73 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 52.77 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 18.22 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 62.78 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 20.21 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 17.97 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 10.09 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 18.56 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . 0.539 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 31.03 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.699 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 26.09 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.599 HG21 HG23 ' C' ' 64' ' ' VAL . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 21.24 110.507 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 14.3 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 10.17 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.607 ' HE1' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 12.08 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 54.79 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 23.93 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.404 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.537 HG22 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 27.3 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 36.76 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.601 ' HD3' ' HA ' ' E' ' 301' ' ' ILE . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 44.0 111.675 -177.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 92.07 104.276 170.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . 0.436 ' ND2' HG21 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 43.42 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.539 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 64.09 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 45.54 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 40.22 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 98.11 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.41 -33.82 76.86 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' C' ' 100' ' ' ALA . 10.8 p-10 -59.54 -32.4 70.3 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.287 1.035 . . . . 99.99 111.491 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.34 36.25 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.284 0.99 . . . . 99.99 110.998 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.15 -38.5 65.58 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.515 1.126 . . . . 99.99 112.828 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -61.74 -53.18 59.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.498 0.719 . . . . 99.99 111.768 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -40.45 36.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.349 0.66 . . . . 99.99 110.69 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . 0.625 HD22 ' HB2' ' E' ' 265' ' ' LEU . 4.6 t30 -54.56 -37.32 65.32 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.271 1.428 . . . . 99.99 111.435 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -47.17 -83.01 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 O-C-N 124.256 0.972 . . . . 99.99 109.847 167.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 tp 62.28 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.3 1.04 . . . . 99.99 111.1 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -147.16 23.58 1.18 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.598 0.759 . . . . 99.99 109.614 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -127.12 119.75 27.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.413 0.685 . . . . 99.99 110.001 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . 0.563 ' HA ' HD21 ' E' ' 266' ' ' ASN . 83.7 mm-40 -87.93 -53.67 4.63 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.016 0.926 . . . . 99.99 110.071 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 61.32 -170.38 0.16 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.358 1.063 . . . . 99.99 111.772 -174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.77 -77.9 1.57 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.503 -0.639 . . . . 99.99 111.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 70.04 159.44 0.19 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.336 1.454 . . . . 99.99 112.917 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.63 134.08 12.75 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 114.981 -1.008 . . . . 99.99 112.246 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 39.9 p -110.28 140.28 44.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.547 1.139 . . . . 99.99 108.09 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -77.28 -67.68 0.69 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.979 -0.748 . . . . 99.99 108.979 -176.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 49.85 89.51 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.62 1.168 . . . . 99.99 111.932 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.71 -15.93 62.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.387 0.675 . . . . 99.99 111.978 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 65.11 106.64 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.993 1.317 . . . . 99.99 111.292 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.94 -30.81 62.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 99.99 111.701 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 178.839 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.551 0.215 . . . . 99.99 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 48.82 -82.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 126.523 1.929 . . . . 99.99 115.398 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.65 -77.2 0.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.039 0.936 . . . . 99.99 110.534 -169.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.52 -21.22 42.06 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.145 0.978 . . . . 99.99 110.985 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 63.6 t30 71.28 -65.92 0.32 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.643 1.577 . . . . 99.99 110.322 -164.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 77.92 -48.24 0.48 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.532 1.533 . . . . 99.99 112.027 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -68.35 87.84 0.31 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 122.204 1.002 . . . . 99.99 110.987 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -176.55 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.593 1.557 . . . . 99.99 107.774 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -31.2 130.82 0.11 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.269 1.827 . . . . 99.99 113.561 172.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p -110.05 132.16 54.41 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 79.57 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG22 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 99.99 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . 0.542 HG22 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 81.0 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.537 ' HB3' HG22 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 28.79 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 14.92 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 58.5 110.581 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.607 HG21 ' HE1' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 14.63 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 15.53 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 6.05 105.692 167.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . 0.418 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 14.28 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 16.78 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 22.87 115.918 -170.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.466 ' HB3' HD12 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 21.13 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 30.2 109.739 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.543 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 64.18 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 34.41 110.412 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 54.02 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 34.31 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.588 HG11 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 83.42 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . 0.497 HD22 HD21 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 99.99 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 97.22 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 99.99 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 62.54 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 55.71 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 61.91 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.99 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.435 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 93.38 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 99.99 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 99.99 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 71.26 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.449 ' HB ' ' HB2' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 36.06 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 79.92 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.478 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 22.5 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' THR . . . . . 0.447 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 23.18 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.588 HG13 HG11 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 24.43 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 32.61 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 25.12 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 49.15 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.54 HD13 HG12 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 32.34 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 33.15 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 19.1 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 12.32 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 8.66 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 19.44 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.5 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . 0.46 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 10.02 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 29.4 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.3 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.43 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 65.32 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 99.99 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.597 HG22 HD12 ' E' ' 97' ' ' ILE . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 99.99 108.813 -167.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.771 ' HB2' HD12 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . 0.522 ' HB1' ' HG ' ' E' ' 102' ' ' LEU . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 99.99 111.718 -175.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 99.99 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 70.12 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 64.46 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 46.86 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 45.41 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 38.42 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . 0.52 HD22 ' HB2' ' D' ' 133' ' ' PHE . 0.8 OUTLIER -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 87.71 110.85 174.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 35.35 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 21.86 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 12.38 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 8.42 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 15.0 111.92 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 17.35 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.697 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 12.17 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.56 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.564 HD13 HD12 ' D' ' 128' ' ' LEU . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 19.17 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 19.58 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 14.23 110.959 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.5 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 6.04 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 19.19 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 119' ' ' SER . . . . . 0.658 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 16.36 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.699 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 7.12 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 35.79 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . 0.543 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 27.88 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 17.97 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 33.77 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . 0.426 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 99.99 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.564 HD12 HD13 ' D' ' 114' ' ' ILE . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 35.86 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 48.78 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.697 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 48.18 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 95.86 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' HD22 ' D' ' 104' ' ' ASN . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -49.21 -61.99 1.78 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . 0.481 ' HA ' ' HE3' ' D' ' 138' ' ' MET . . . -72.34 -37.45 68.85 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 114.873 -1.058 . . . . 99.99 111.833 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.48 -44.0 95.66 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.388 0.675 . . . . 99.99 110.878 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.93 -35.75 64.63 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.816 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 138' ' ' MET . . . . . 0.481 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 34.6 ttm -57.87 -36.67 72.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.022 1.329 . . . . 99.99 111.381 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -73.66 -53.7 9.82 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.388 -0.824 . . . . 99.99 110.247 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.27 -34.5 76.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -168.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.21 -55.74 25.56 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.101 0.96 . . . . 99.99 111.608 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -82.66 2.47 33.36 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.056 0.542 . . . . 99.99 111.876 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -120.93 49.3 1.49 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 108.392 -0.966 . . . . 99.99 108.392 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -143.68 15.38 1.78 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.977 -1.465 . . . . 99.99 109.391 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -106.63 151.87 24.5 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.82 -1.082 . . . . 99.99 109.839 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.72 25.06 Favored Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.268 -0.423 . . . . 99.99 112.503 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 63.13 -78.32 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.537 1.535 . . . . 99.99 111.018 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.91 23.71 0.07 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 35.4 p -67.73 -35.55 78.95 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.597 0.759 . . . . 99.99 110.725 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' D' ' 154' ' ' ASP . 0.3 OUTLIER 65.61 96.91 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.063 1.345 . . . . 99.99 110.091 176.168 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -74.08 -18.02 60.87 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.946 -1.025 . . . . 99.99 113.121 -167.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -91.66 -22.1 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.066 0.546 . . . . 99.99 112.076 -170.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -153.95 -43.69 0.09 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.224 0.609 . . . . 99.99 110.697 -168.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' D' ' 150' ' ' GLU . 27.3 t70 75.47 120.51 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.287 1.435 . . . . 99.99 109.627 -169.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 123.864 0.866 . . . . 99.99 111.144 -171.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' E' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -117.27 9.69 13.52 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.825 0.85 . . . . 99.99 110.836 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -128.57 -49.94 1.27 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.712 1.205 . . . . 99.99 108.739 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' E' ' 308' ' ' CYS . 15.3 m -69.57 101.15 1.56 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.984 -1.007 . . . . 99.99 109.969 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -115.99 129.41 56.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.919 0.888 . . . . 99.99 109.922 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.475 HG21 HD22 ' B' ' 126' ' ' LEU . 2.6 tt -62.91 86.85 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.114 0.959 . . . . 99.99 110.347 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.535 ' HB1' ' HG ' ' B' ' 128' ' ' LEU . . . 175.16 -34.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.857 2.063 . . . . 99.99 108.964 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.819 ' HA ' HD13 ' B' ' 44' ' ' LEU . 0.7 OUTLIER -154.88 124.49 6.5 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.036 0.934 . . . . 99.99 110.64 -170.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.52 79.57 1.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.427 0.691 . . . . 99.99 110.333 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 59.6 98.47 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.019 1.328 . . . . 99.99 111.382 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.454 ' H ' ' HE2' ' B' ' 137' ' ' PHE . 7.8 mp -64.42 143.67 98.52 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.59 1.156 . . . . 99.99 112.024 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.52 3.5 7.76 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.899 2.4 . . . . 99.99 113.503 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 74.5 mt 65.55 92.36 0.07 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.413 1.485 . . . . 99.99 110.591 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.46 -3.04 4.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.054 0.942 . . . . 99.99 112.033 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -76.93 101.35 5.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.172 0.589 . . . . 99.99 110.33 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' THR . . . . . 0.466 ' O ' ' HE1' ' B' ' 94' ' ' MET . 6.7 p -72.68 151.62 91.32 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.158 0.983 . . . . 99.99 110.203 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . 0.411 ' HG3' ' HB2' ' B' ' 90' ' ' GLU . 39.5 Cg_exo -35.96 138.75 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 124.806 3.671 . . . . 99.99 114.266 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.779 HG12 ' HB ' ' B' ' 86' ' ' ILE . 1.3 t -56.75 -27.23 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 124.263 0.977 . . . . 99.99 111.932 -169.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 47.3 p -60.34 77.72 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.542 1.537 . . . . 99.99 111.309 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . 0.691 ' HB3' ' HZ1' ' E' ' 20' ' ' LYS . 5.6 ttpm? 56.47 77.33 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.619 1.168 . . . . 99.99 110.247 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 146.46 41.77 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.019 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -153.34 178.67 9.52 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.118 0.967 . . . . 99.99 109.414 -171.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -53.05 116.96 10.23 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.544 1.137 . . . . 99.99 111.866 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . 0.428 ' HB3' HG22 ' E' ' 16' ' ' THR . 90.1 Cg_endo -76.75 169.19 22.21 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.577 2.851 . . . . 99.99 114.052 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.07 160.03 16.03 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.366 166.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtm -56.73 99.92 0.2 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 124.25 1.02 . . . . 99.99 111.542 -176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.18 95.09 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 123.031 2.487 . . . . 99.99 112.481 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.19 -59.98 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.115 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp 51.92 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.854 1.262 . . . . 99.99 109.896 -166.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -156.01 -51.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.76 0.824 . . . . 99.99 109.498 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' E' ' 34' ' ' ALA . 57.8 t30 -132.03 51.43 2.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.204 -0.907 . . . . 99.99 108.992 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 61.36 -83.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.683 1.593 . . . . 99.99 111.46 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.96 21.12 5.16 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.572 1.149 . . . . 99.99 110.674 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' E' ' 31' ' ' ASN . . . 70.75 -72.24 0.12 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.262 1.425 . . . . 99.99 111.153 -174.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.61 43.39 7.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.498 0.719 . . . . 99.99 109.263 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.03 51.87 4.65 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 115.308 -0.86 . . . . 99.99 111.797 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -100.03 160.74 14.08 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.878 1.271 . . . . 99.99 109.43 -177.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.69 143.38 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.8 m -83.96 64.84 8.35 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.81 0.814 . . . . 99.99 111.074 -175.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . 0.516 ' N ' ' HD3' ' E' ' 41' ' ' PRO . . . -171.59 41.32 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.481 0 C-N-CA 125.823 1.649 . . . . 99.99 110.241 171.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' E' ' 40' ' ' ALA . 6.2 Cg_exo -75.19 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.403 2.069 . . . . 99.99 111.504 -169.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.68 59.27 4.6 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 110.573 -1.011 . . . . 99.99 110.573 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.19 -35.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.288 -1.125 . . . . 99.99 110.288 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.0 40.33 31.99 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.136 0.975 . . . . 99.99 110.889 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 71.98 -66.48 0.3 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.246 1.418 . . . . 99.99 109.522 -168.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -155.46 94.22 1.57 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.691 1.197 . . . . 99.99 108.59 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 pp -80.73 -10.27 59.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.739 0.415 . . . . 99.99 111.593 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 88.07 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.795 1.238 . . . . 99.99 111.844 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -125.99 35.63 2.94 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.655 -1.157 . . . . 99.99 112.145 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 64.29 -78.46 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.063 1.345 . . . . 99.99 113.498 168.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.24 -11.35 59.41 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.836 0.854 . . . . 99.99 111.718 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 14.7 t -45.28 -31.95 1.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.239 1.57 . . . . 99.99 115.239 -173.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.12 -18.14 59.92 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.559 0.744 . . . . 99.99 112.579 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.36 73.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.075 0.95 . . . . 99.99 111.223 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.406 ' HB2' ' OG ' ' E' ' 58' ' ' SER . 86.7 mt 55.65 33.76 21.91 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.45 1.1 . . . . 99.99 111.693 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 70.79 -81.53 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.637 1.575 . . . . 99.99 111.293 -175.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -100.17 -77.12 0.54 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 119.28 -0.391 . . . . 99.99 110.489 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 58' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' E' ' 55' ' ' LEU . 25.0 m 62.68 86.84 0.11 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.487 1.115 . . . . 99.99 111.26 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.93 171.88 7.17 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.817 -1.083 . . . . 99.99 109.665 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -82.51 -8.56 59.61 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.624 170.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 73.54 -84.61 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.569 . . . . 99.99 110.305 171.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.2 89.06 1.83 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 165.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -91.25 -14.15 1.8 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.811 2.341 . . . . 99.99 113.659 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.552 ' HA ' HG13 ' E' ' 71' ' ' ILE . . . -74.33 69.86 1.64 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.223 1.009 . . . . 99.99 113.06 -164.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' E' ' 65' ' ' LYS . 5.1 mtmp? -159.25 -166.53 1.84 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.509 1.524 . . . . 99.99 109.308 -171.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 74.34 -71.83 0.12 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.172 1.389 . . . . 99.99 111.79 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . 0.401 HD13 HG22 ' B' ' 13' ' ' ILE . 15.7 tt -128.72 -24.87 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 124.244 1.018 . . . . 99.99 109.553 176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt 61.73 40.98 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 125.183 1.393 . . . . 99.99 110.282 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -89.12 -80.46 0.3 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.916 -1.038 . . . . 99.99 108.605 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -113.41 100.18 8.34 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.552 HG13 ' HA ' ' E' ' 64' ' ' ALA . 0.2 OUTLIER -139.08 -179.92 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.888 1.275 . . . . 99.99 108.715 172.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 151.64 11.19 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 111.792 -0.523 . . . . 99.99 111.792 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -164.31 115.6 1.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.816 -1.179 . . . . 99.99 107.816 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.9 -164.07 26.88 Favored Glycine 0 C--N 1.339 0.695 0 O-C-N 123.61 0.569 . . . . 99.99 112.343 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 23.5 ptp -154.63 148.84 25.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.518 0.727 . . . . 99.99 110.304 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.17 146.86 36.89 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 110.647 -0.981 . . . . 99.99 110.647 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.21 162.11 36.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.166 0.586 . . . . 99.99 110.802 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -74.71 -17.07 60.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.925 0.89 . . . . 99.99 112.153 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.45 -20.97 65.06 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.984 0.914 . . . . 99.99 112.123 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 89.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.855 0.862 . . . . 99.99 110.283 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -131.71 -57.29 0.99 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.825 0.85 . . . . 99.99 111.066 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.59 -169.44 0.2 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 124.68 1.192 . . . . 99.99 111.848 -173.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.88 17.85 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.853 0.861 . . . . 99.99 109.099 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -63.76 130.04 42.59 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.067 0.854 . . . . 99.99 110.365 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -143.88 -175.29 4.53 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 -176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -78.72 147.17 33.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.737 0.815 . . . . 99.99 112.149 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.95 107.48 6.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.802 1.241 . . . . 99.99 108.564 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.45 -66.66 0.8 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.654 0.782 . . . . 99.99 110.522 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.6 69.95 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 111.597 -0.601 . . . . 99.99 111.597 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.21 117.4 10.79 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.783 0.833 . . . . 99.99 111.666 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.54 146.21 18.07 Favored Glycine 0 C--N 1.349 1.284 0 C-N-CA 123.583 0.611 . . . . 99.99 112.115 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.47 79.13 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.197 -0.361 . . . . 99.99 112.197 -174.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -136.52 160.78 37.74 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.055 1.342 . . . . 99.99 108.528 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.67 135.31 35.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -108.04 134.18 51.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.507 1.123 . . . . 99.99 109.363 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.49 56.52 0.03 OUTLIER Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.4 0.524 . . . . 99.99 113.153 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.597 HD12 HG22 ' D' ' 86' ' ' ILE . 10.7 tp -107.33 -39.19 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.053 0.541 . . . . 99.99 111.414 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.02 82.16 0.11 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.735 1.214 . . . . 99.99 110.412 -163.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 66.13 154.35 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.504 1.122 . . . . 99.99 111.816 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 14.5 tp -156.44 64.06 3.48 Favored Pre-proline 0 N--CA 1.486 1.331 0 O-C-N 121.337 -0.852 . . . . 99.99 111.421 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -73.84 -39.38 1.84 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.375 2.05 . . . . 99.99 113.13 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . 0.522 ' HG ' ' HB1' ' D' ' 95' ' ' ALA . 2.5 tt 58.15 85.12 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.978 1.311 . . . . 99.99 109.846 -174.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.3 p 54.73 -82.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.003 1.721 . . . . 99.99 113.461 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.79 166.5 11.49 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 64.03 24.88 13.68 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.222 1.009 . . . . 99.99 111.424 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 63.91 13.01 7.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.919 1.288 . . . . 99.99 112.324 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m 66.35 -73.0 0.08 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.563 1.545 . . . . 99.99 111.163 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 63.6 t60 61.04 93.34 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.274 1.429 . . . . 99.99 113.198 171.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -145.55 167.28 23.41 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.004 0.922 . . . . 99.99 110.447 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.29 105.84 18.04 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.96 0.904 . . . . 99.99 110.055 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.53 -10.32 57.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.657 0.783 . . . . 99.99 111.453 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -72.55 -27.89 62.49 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -167.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.9 82.51 1.67 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.09 0.405 . . . . 99.99 112.058 -172.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -173.67 113.01 0.2 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.315 1.046 . . . . 99.99 108.188 163.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.7 t -159.94 136.16 8.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.905 0.383 . . . . 99.99 111.231 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.46 -11.64 50.76 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 166.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.53 163.31 62.08 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.679 1.191 . . . . 99.99 110.26 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.79 -178.46 0.1 Allowed 'Trans proline' 0 C--N 1.39 2.756 0 C-N-CA 123.176 2.584 . . . . 99.99 113.767 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.66 99.46 2.57 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.941 -0.572 . . . . 99.99 110.947 -177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -75.13 -62.74 1.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.752 1.221 . . . . 99.99 111.148 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.32 38.56 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-O 122.565 1.174 . . . . 99.99 109.91 -172.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 98.4 m -144.1 96.93 2.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.67 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -167.39 -79.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.166 0.986 . . . . 99.99 108.377 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 45.3 m -153.78 122.6 6.37 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.08 0.952 . . . . 99.99 108.997 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -165.3 98.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.691 0.396 . . . . 99.99 111.475 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 71.43 143.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.703 1.601 . . . . 99.99 113.893 167.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.2 t -170.26 139.55 1.76 Allowed 'General case' 0 C--O 1.24 0.602 0 C-N-CA 124.223 1.009 . . . . 99.99 108.521 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.67 134.38 9.88 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.536 0.734 . . . . 99.95 110.157 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.7 t -158.04 170.87 21.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.096 0.958 . . . . 99.99 109.669 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.62 85.74 0.14 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.637 1.175 . . . . 99.99 110.704 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 20.7 p90 -137.35 -2.59 2.0 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.769 0.828 . . . . 99.99 111.517 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 16.3 t -77.22 87.49 3.66 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.08 0.467 . . . . 99.99 111.005 -173.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 133' ' ' THR . . . . . 0.401 HG21 HD21 ' E' ' 470' ' ' LEU . 2.1 p -74.9 141.57 44.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.635 0.774 . . . . 99.99 109.133 169.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.92 -68.23 1.76 Allowed Glycine 0 C--N 1.347 1.19 0 O-C-N 123.854 0.721 . . . . 99.66 113.187 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 40.4 t 57.41 82.63 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 124.706 1.203 . . . . 99.99 110.157 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -133.6 40.05 3.15 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.832 0.853 . . . . 99.99 110.501 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 22.2 p -122.86 146.35 47.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.123 0.969 . . . . 99.99 110.155 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -114.35 -44.81 3.07 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.893 -0.78 . . . . 99.99 108.893 170.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 7.1 t30 62.35 -78.48 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.892 1.277 . . . . 99.99 110.944 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.52 -168.09 12.87 Favored Glycine 0 C--N 1.352 1.466 0 C-N-CA 123.014 0.34 . . . . 99.99 113.085 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -147.05 154.53 41.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.911 0.884 . . . . 99.99 110.353 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.58 93.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.644 1.177 . . . . 99.99 111.348 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.93 -152.63 6.67 Favored Glycine 0 C--N 1.359 1.859 0 C-N-CA 121.329 -0.462 . . . . 99.99 114.179 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.97 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 C-N-CA 125.126 1.37 . . . . 99.99 109.377 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.94 144.77 25.16 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.331 0.653 . . . . 99.99 110.54 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.3 tt -160.64 98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.31 0 C-N-CA 124.389 1.076 . . . . 99.99 109.873 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -140.9 164.93 28.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.229 0.612 . . . . 99.99 109.769 175.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 90.31 -7.67 0.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 126.12 1.768 . . . . 99.99 112.621 170.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -74.45 111.76 9.95 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.631 -1.248 . . . . 99.99 107.631 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.07 151.24 47.44 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.839 0.856 . . . . 99.99 109.063 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 55.9 m80 69.26 137.08 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.64 0 C-N-CA 125.307 1.443 . . . . 99.99 111.426 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.84 67.05 3.16 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.242 2.628 . . . . 99.99 113.526 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 16.7 m 51.2 85.32 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.907 1.683 . . . . 99.99 112.26 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -86.58 1.9 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 CA-C-N 114.915 -1.039 . . . . 99.99 111.862 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -48.0 -35.72 11.44 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.65 1.58 . . . . 99.99 113.527 -172.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -39.5 82.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.483 0.713 . . . . 99.99 111.262 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 26.6 mmt 62.76 -76.89 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.555 1.542 . . . . 99.99 112.386 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.41 125.98 30.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.906 0.882 . . . . 99.99 111.264 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . 0.459 ' HB3' ' HZ1' ' E' ' 159' ' ' LYS . 6.6 mtpm? -73.47 -42.25 62.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.271 1.028 . . . . 99.99 111.036 -178.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.09 -11.16 58.92 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.384 1.074 . . . . 99.99 111.873 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 82.85 128.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.942 1.697 . . . . 99.99 110.574 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -73.75 80.58 0.79 Allowed Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.677 -0.692 . . . . 99.99 113.218 -172.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 71.0 mt -129.95 -50.71 1.13 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.421 1.089 . . . . 99.99 109.06 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.42 177.45 0.16 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.918 1.287 . . . . 99.99 112.345 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 p -82.86 90.18 6.91 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.133 0.492 . . . . 99.99 109.921 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -82.57 168.56 48.01 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.403 -0.679 . . . . 99.99 111.403 171.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.2 m120 60.53 30.37 19.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.897 0.879 . . . . 99.99 112.157 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.72 14.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.49 0.716 . . . . 99.99 111.807 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.8 m -70.22 -77.33 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 12.6 p -140.73 112.06 7.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.597 0.759 . . . . 99.99 109.82 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.17 -18.34 53.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.28 0.562 . . . . 99.99 109.798 169.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.03 118.99 19.47 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.8 -1.555 . . . . 99.99 106.8 174.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 54.2 tp -142.3 -48.06 0.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.188 0.595 . . . . 99.99 110.757 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -71.52 103.73 3.06 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.278 0.561 . . . . 99.99 111.4 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -102.15 175.51 5.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.26 1.024 . . . . 99.99 108.949 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 76.84 -44.23 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.434 1.494 . . . . 99.99 112.884 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 57.9 m 66.55 95.24 0.05 OUTLIER Pre-proline 0 CA--C 1.559 1.316 0 C-N-CA 124.35 1.06 . . . . 99.99 110.925 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.38 140.31 87.27 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.988 2.459 . . . . 99.99 112.51 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 73.24 -4.6 2.15 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.842 1.657 . . . . 99.99 112.479 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 64.19 -73.48 0.05 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.343 1.457 . . . . 99.99 112.469 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 56.5 tp -137.9 155.81 48.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.069 0.948 . . . . 99.99 109.827 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . 0.49 HG21 HG21 ' E' ' 185' ' ' VAL . 26.9 m -64.31 131.73 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 C-N-CA 123.415 0.686 . . . . 99.99 110.52 173.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.71 -59.33 2.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.879 0.872 . . . . 99.99 111.883 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' E' ' 188' ' ' ARG . 3.9 p80 -88.39 -12.62 42.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 119.295 -0.383 . . . . 99.99 111.926 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . 0.49 HG21 HG21 ' E' ' 182' ' ' VAL . 3.9 t 51.53 40.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 C-N-CA 124.398 1.079 . . . . 99.99 110.438 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 24.8 m 60.82 -88.51 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.379 1.472 . . . . 99.99 111.407 -170.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 24.3 p -79.17 87.79 4.89 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.34 0.656 . . . . 99.99 109.423 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' E' ' 184' ' ' HIS . 24.7 tpt180 -75.69 -51.79 11.95 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.966 -0.561 . . . . 99.99 110.191 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . 0.469 ' HB2' ' HZ2' ' E' ' 189' ' ' LYS . 10.8 mtmp? -107.74 -85.19 0.52 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 171.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 71.7 m 53.0 -177.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.544 0.738 . . . . 99.99 112.342 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 32.0 t80 54.49 26.72 7.46 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 124.029 0.932 . . . . 99.99 111.354 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -53.63 -46.09 66.98 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.635 1.112 . . . . 99.99 114.844 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.06 -12.26 7.08 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 123.487 2.791 . . . . 99.99 115.703 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 36.4 t 76.56 -0.61 3.02 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.998 1.319 . . . . 99.99 112.125 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -162.8 -95.04 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.761 0.824 . . . . 99.99 109.841 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 36.0 m 43.66 79.12 0.05 OUTLIER 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.82 1.248 . . . . 99.99 111.71 -171.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 197' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' E' ' 199' ' ' LYS . 55.3 p -61.21 -61.05 2.83 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.877 -1.056 . . . . 99.99 110.772 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 55.7 -1.18 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 126.903 2.081 . . . . 99.99 115.528 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . 0.592 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 21.6 pttm -175.56 -27.37 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.6 0.76 . . . . 99.99 110.877 -166.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 23.2 t -64.68 -44.88 75.23 Favored Pre-proline 0 CA--C 1.572 1.788 0 N-CA-C 113.485 0.92 . . . . 99.99 113.485 -169.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' E' ' 197' ' ' SER . 50.7 Cg_endo -94.92 19.66 0.65 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 122.128 1.885 . . . . 99.99 112.997 169.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.34 10.28 Favored Glycine 0 C--N 1.349 1.261 0 C-N-CA 123.282 0.468 . . . . 99.99 112.04 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 70.12 -66.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.823 1.649 . . . . 99.99 110.9 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -158.68 134.63 9.0 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.589 1.156 . . . . 99.99 108.108 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.07 153.86 33.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.045 0.538 . . . . 99.99 110.943 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 60.37 87.25 0.09 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.483 1.113 . . . . 99.99 111.789 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . 0.671 ' HZ3' ' HA ' ' E' ' 207' ' ' LYS . 0.6 OUTLIER -104.45 122.15 44.93 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.677 0.791 . . . . 99.99 110.839 -178.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' E' ' 337' ' ' LYS . . . -176.52 156.02 20.02 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.775 -0.648 . . . . 99.99 112.31 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 74.06 -87.31 0.67 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 123.605 0.238 . . . . 99.99 112.826 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -138.24 146.5 42.65 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.807 1.243 . . . . 99.99 109.145 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 139.92 -114.19 0.96 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.239 -0.756 . . . . 99.99 111.24 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m 71.14 -67.71 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.748 1.619 . . . . 99.99 112.365 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' E' ' 216' ' ' GLN . 46.1 pt -80.16 26.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.812 1.245 . . . . 99.99 113.201 -172.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 19.0 m -63.03 -80.77 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.331 0.652 . . . . 99.99 111.173 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -92.18 -12.3 33.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.784 0.833 . . . . 99.99 111.404 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . 0.668 HE22 ' HG3' ' E' ' 323' ' ' GLN . 1.0 OUTLIER -56.73 -33.52 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.156 1.383 . . . . 99.99 112.098 -174.108 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.1 -34.06 67.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.688 0.795 . . . . 99.99 112.443 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.81 113.38 9.78 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -159.45 177.96 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.195 0.998 . . . . 99.99 110.101 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -130.98 56.04 1.81 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.069 0.948 . . . . 99.99 109.215 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -126.3 1.46 7.06 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.414 1.085 . . . . 99.99 110.816 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -76.25 -74.45 0.23 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.54 0.736 . . . . 99.99 111.441 -169.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.52 85.46 6.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.074 0.94 . . . . 99.99 110.499 -170.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 52.8 t -106.89 160.68 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.753 1.221 . . . . 99.99 107.979 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 39.4 p -56.67 160.62 3.21 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.366 0.667 . . . . 99.99 110.968 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.1 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.252 1.021 . . . . 99.99 113.166 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -122.8 12.57 8.72 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 114.473 -1.24 . . . . 99.99 112.965 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' E' ' 428' ' ' GLU . . . 81.29 76.97 1.03 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.194 -0.762 . . . . 99.99 111.194 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -122.77 -23.9 2.19 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 119.562 -0.576 . . . . 99.99 113.881 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' E' ' 438' ' ' GLN . . . 63.99 -145.33 0.3 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.633 0.773 . . . . 99.99 110.599 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . 0.452 ' O ' ' HD2' ' E' ' 440' ' ' ARG . 0.8 OUTLIER 67.86 -81.34 0.03 OUTLIER 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.01 1.324 . . . . 99.99 109.836 -178.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.4 p -80.9 -73.4 0.37 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 41.5 t80 50.11 -87.11 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 125.744 1.617 . . . . 99.99 112.406 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -153.74 -83.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.031 0.932 . . . . 99.99 108.578 175.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 41.58 -88.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.46 1.904 . . . . 99.99 113.336 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 26.1 p -138.46 157.11 46.83 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 125.829 1.651 . . . . 99.99 107.278 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.83 -64.4 0.94 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.083 -0.339 . . . . 99.99 110.083 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 94.3 m 64.85 -71.4 0.08 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.354 1.462 . . . . 99.99 111.486 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.61 7.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.219 1.008 . . . . 99.99 109.964 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -170.67 -135.18 1.87 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-N 115.818 -0.628 . . . . 99.99 111.542 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.54 114.46 10.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.518 0.727 . . . . 99.99 110.108 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -74.97 157.17 35.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.461 1.105 . . . . 99.99 111.305 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 73.0 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.504 1.522 . . . . 99.99 112.425 175.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 156.61 -57.34 0.38 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 116.226 -0.443 . . . . 99.99 113.145 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.426 ' HD2' HG22 ' E' ' 246' ' ' THR . 0.0 OUTLIER -72.58 -7.82 52.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.742 1.016 . . . . 99.99 113.742 -169.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 246' ' ' THR . . . . . 0.426 HG22 ' HD2' ' E' ' 245' ' ' LYS . 17.9 p -102.82 -9.16 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.172 0.989 . . . . 99.99 112.261 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.79 -28.31 15.97 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.74 1.385 . . . . 99.99 114.74 -169.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.69 -71.59 0.11 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.548 1.314 . . . . 99.99 114.548 -145.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -95.05 -76.99 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.502 1.501 . . . . 99.99 109.96 170.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.05 -76.87 0.39 Allowed 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.754 -1.943 . . . . 99.99 105.754 159.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . . . -108.79 -71.1 0.77 Allowed 'General case' 0 C--N 1.351 0.666 0 CA-C-O 121.894 0.854 . . . . 99.99 111.045 149.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -97.58 -16.55 20.0 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 114.025 -1.443 . . . . 99.99 112.739 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -62.59 2.45 0.28 Allowed 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 117.523 2.416 . . . . 99.99 117.523 -152.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -54.7 87.56 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 124.205 1.002 . . . . 99.99 113.602 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 59.97 13.66 27.64 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.933 1.133 . . . . 99.99 115.933 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -75.18 -20.27 59.41 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 117.455 0.628 . . . . 99.99 111.803 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -160.16 -165.59 1.5 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.128 0.971 . . . . 99.99 109.471 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.84 20.79 10.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.728 1.211 . . . . 99.99 112.111 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.17 -12.39 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 C-N-CA 123.29 0.636 . . . . 99.99 110.531 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 30.2 t 82.26 -58.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.14 1.776 . . . . 99.99 113.1 170.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.83 -30.31 71.39 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.598 0.759 . . . . 99.99 112.114 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.33 67.56 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 123.876 0.87 . . . . 99.99 112.23 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.01 -7.12 2.24 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.178 0.991 . . . . 99.99 113.439 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 15.2 t 65.41 27.01 11.92 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.959 1.304 . . . . 99.99 109.78 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . 0.625 ' HB2' HD22 ' C' ' 139' ' ' ASN . 2.3 pt? -37.74 -54.21 1.23 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.432 1.893 . . . . 99.99 114.741 -162.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . 0.563 HD21 ' HA ' ' C' ' 144' ' ' GLN . 45.1 t30 -152.98 101.42 2.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.357 -0.608 . . . . 99.99 109.357 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 36.2 t -119.14 1.31 11.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.708 -1.133 . . . . 99.99 108.989 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . 0.407 HG13 ' HA ' ' E' ' 286' ' ' MET . 22.9 m -91.14 6.62 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.534 0.734 . . . . 99.99 111.017 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.1 p 56.81 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.213 1.805 . . . . 99.99 112.948 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . 0.627 ' HB2' ' HB2' ' E' ' 273' ' ' GLN . 48.5 mt-10 -122.33 174.0 7.28 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.936 0.494 . . . . 99.99 110.544 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.76 -65.94 0.6 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.155 0.909 . . . . 99.99 111.523 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' E' ' 275' ' ' LYS . 59.8 t30 -99.62 -64.59 1.03 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.539 -0.541 . . . . 99.99 109.539 173.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.627 ' HB2' ' HB2' ' E' ' 270' ' ' GLU . 53.9 tt0 47.89 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 123.955 0.902 . . . . 99.99 113.344 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -127.72 20.62 6.56 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.744 1.218 . . . . 99.99 111.135 -173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' E' ' 272' ' ' ASN . 25.5 mmtp -74.36 128.27 86.23 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 99.99 109.03 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.471 ' HG3' ' HB3' ' E' ' 282' ' ' ALA . 93.0 Cg_endo -79.82 157.48 24.31 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.848 2.365 . . . . 99.99 114.56 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 10.2 tt -71.64 119.17 15.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.197 1.399 . . . . 99.99 110.269 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.3 133.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.933 1.293 . . . . 99.99 112.421 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 88.3 -48.41 3.6 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . 0.483 HD22 ' HA3' ' C' ' 99' ' ' GLY . 4.5 tp 62.86 -164.8 0.25 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.367 1.467 . . . . 99.99 111.163 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . 0.417 ' H ' ' HG ' ' E' ' 280' ' ' LEU . 3.8 m-85 56.73 -97.41 0.07 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.432 1.493 . . . . 99.99 110.127 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . 0.471 ' HB3' ' HG3' ' E' ' 276' ' ' PRO . . . 50.68 -155.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.025 1.33 . . . . 99.99 113.812 168.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.61 123.77 25.46 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.115 0.566 . . . . 99.99 109.763 170.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 162.11 -103.64 0.22 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 110.349 -1.1 . . . . 99.99 110.349 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -166.13 93.27 0.52 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.417 0.687 . . . . 99.99 109.395 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 286' ' ' MET . . . . . 0.407 ' HA ' HG13 ' E' ' 268' ' ' VAL . 15.3 tpt -152.29 59.01 2.8 Favored Pre-proline 0 CA--C 1.566 1.582 0 C-N-CA 123.968 0.907 . . . . 99.99 108.791 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . 0.485 ' HB2' ' NH1' ' E' ' 289' ' ' ARG . 11.4 Cg_endo -95.52 126.73 0.37 Allowed 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.17 2.58 . . . . 99.99 113.325 -174.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 67.0 t -88.8 137.63 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.114 0.966 . . . . 99.99 111.537 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . 0.485 ' NH1' ' HB2' ' E' ' 287' ' ' PRO . 9.8 mpt_? -102.53 168.38 9.32 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.486 1.114 . . . . 99.99 109.962 174.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -82.33 104.01 12.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.755 0.822 . . . . 99.99 110.479 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.53 175.55 45.81 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.13 111.19 1.94 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.931 2.42 . . . . 99.99 111.654 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -74.29 82.38 1.87 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.052 0.941 . . . . 99.99 109.734 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' E' ' 298' ' ' HIS . . . -133.9 45.27 2.66 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.033 -0.985 . . . . 99.99 110.259 -175.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 8.3 m -69.0 125.17 25.82 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.408 -0.814 . . . . 99.99 109.229 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.617 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 15.1 m-30 63.8 35.25 11.3 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.48 1.113 . . . . 99.99 111.104 -175.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . 0.459 ' HB2' ' HB2' ' E' ' 295' ' ' ALA . 86.2 t60 -62.59 -33.75 75.61 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.499 0.719 . . . . 99.99 110.615 172.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -126.94 68.74 0.53 Allowed Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.973 -0.851 . . . . 99.99 110.973 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 55.52 -145.99 0.59 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.342 1.057 . . . . 99.99 110.118 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.601 ' HA ' ' HD3' ' C' ' 124' ' ' PRO . 0.2 OUTLIER -107.43 109.97 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 N-CA-C 107.482 -1.303 . . . . 99.99 107.482 158.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 80.51 0.16 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.938 1.295 . . . . 99.99 111.832 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -75.05 -40.29 3.62 Favored Pre-proline 0 CA--C 1.558 1.258 0 CA-C-O 118.512 -0.756 . . . . 99.99 112.224 171.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.96 69.15 3.84 Favored 'Trans proline' 0 C--N 1.392 2.862 0 C-N-CA 122.075 1.85 . . . . 99.99 111.074 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -73.47 163.35 28.17 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.652 -1.158 . . . . 99.99 109.694 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' B' ' 129' ' ' ALA . 40.7 t -76.6 107.78 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.362 -168.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 307' ' ' THR . . . . . 0.547 HG22 HG23 ' B' ' 40' ' ' VAL . 5.2 t -137.68 168.85 18.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.735 1.214 . . . . 99.99 109.918 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.5 ' HB3' ' HB3' ' E' ' 4' ' ' SER . 41.8 t -134.9 60.72 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.223 1.009 . . . . 99.99 108.901 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 27.3 p -122.19 98.02 44.85 Favored Pre-proline 0 CA--C 1.552 1.037 0 CA-C-N 115.441 -0.799 . . . . 99.99 111.121 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.31 170.18 10.8 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.756 2.304 . . . . 99.99 112.194 166.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -169.2 103.06 0.48 Allowed Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.466 0.706 . . . . 99.99 109.848 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.24 84.53 0.57 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.68 2.253 . . . . 99.99 111.16 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.7 -67.68 0.47 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.643 0.777 . . . . 99.99 112.001 -172.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . 0.419 ' HE ' ' HG2' ' B' ' 70' ' ' GLU . 8.2 tmm_? -72.44 -31.34 65.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.401 0.68 . . . . 99.99 111.329 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -72.29 94.96 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.168 0.587 . . . . 99.99 110.365 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -140.36 -63.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.642 1.177 . . . . 99.99 107.999 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 46.4 m -72.66 121.74 20.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.138 -0.937 . . . . 99.99 111.053 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.42 148.31 41.46 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.309 1.044 . . . . 99.99 109.338 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.82 94.34 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 121.917 1.745 . . . . 99.99 110.224 170.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 14.7 m -80.24 35.16 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.926 1.29 . . . . 99.99 111.545 -171.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . 0.456 ' HG ' ' HG2' ' E' ' 330' ' ' GLU . 2.9 mm? 53.71 -95.5 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.571 1.548 . . . . 99.99 110.303 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 49.28 32.11 4.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.442 1.097 . . . . 99.99 112.673 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.668 ' HG3' HE22 ' E' ' 216' ' ' GLN . 25.9 tp60 -38.65 -35.79 0.21 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 127.232 2.213 . . . . 99.99 114.257 -169.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 324' ' ' MET . . . . . 0.592 ' HB2' ' HD2' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -150.59 -31.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.95 0.5 . . . . 99.99 111.226 171.677 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 325' ' ' THR . . . . . 0.416 ' HB ' ' HE3' ' E' ' 199' ' ' LYS . 13.9 t -137.79 150.73 47.46 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.532 0.605 . . . . 99.99 111.864 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . 0.26 3.0 p-10 32.6 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 127.286 2.235 . . . . 99.99 115.372 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -176.22 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.342 0.657 . . . . 99.99 109.6 -167.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -66.84 -2.29 4.96 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.6 pp -60.77 -16.77 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.684 0.794 . . . . 99.99 112.879 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . 0.456 ' HG2' ' HG ' ' E' ' 321' ' ' LEU . 0.5 OUTLIER -62.81 -41.16 99.18 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.855 0.862 . . . . 99.99 109.209 174.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.98 -39.91 65.72 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.757 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt 66.69 -76.86 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.154 1.382 . . . . 99.99 109.722 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 16.5 m 68.45 -77.7 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.432 1.493 . . . . 99.99 110.958 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 138.91 37.24 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.042 0.937 . . . . 99.99 109.375 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -113.72 -179.05 3.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.117 0.567 . . . . 99.99 110.2 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -25.02 68.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.874 1.27 . . . . 99.99 111.815 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' E' ' 337' ' ' LYS . 0.1 OUTLIER -85.5 65.81 9.36 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.564 0.746 . . . . 99.99 109.058 177.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.31 -39.49 26.4 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.908 -0.587 . . . . 99.99 112.132 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -65.98 153.81 41.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.989 0.916 . . . . 99.99 109.574 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . 0.448 ' O ' ' HE2' ' E' ' 337' ' ' LYS . 63.4 m-85 -60.88 -58.25 9.24 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.641 0.588 . . . . 99.99 110.68 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 28.0 tp 58.99 11.25 1.86 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.356 1.063 . . . . 99.99 112.255 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.68 115.2 9.44 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.368 -0.975 . . . . 99.99 108.368 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.72 128.68 4.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 108.396 -0.964 . . . . 99.99 108.396 172.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.72 141.02 30.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.0 0.52 . . . . 99.99 109.966 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -87.28 -126.03 2.15 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 53.12 -105.91 0.27 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.788 1.235 . . . . 99.99 110.857 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 21.5 m 50.18 39.28 19.28 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.465 1.106 . . . . 99.99 111.26 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.1 142.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 114.905 -1.043 . . . . 99.99 112.444 -168.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -94.14 143.59 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.45 -23.36 64.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.353 0.661 . . . . 99.99 112.261 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 68.23 -75.87 0.06 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.152 1.381 . . . . 99.99 111.027 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.72 -53.97 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.738 0.815 . . . . 99.99 110.081 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.19 -12.48 56.84 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.231 0.826 . . . . 99.99 113.231 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -70.94 87.29 0.73 Allowed 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.255 0.48 . . . . 99.99 109.975 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 177.26 42.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.899 1.68 . . . . 99.99 108.133 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' E' ' 357' ' ' PRO . 56.0 m-20 -74.47 130.9 81.05 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 115.725 -0.67 . . . . 99.99 110.96 -173.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' E' ' 356' ' ' ASN . 7.6 Cg_exo -73.29 -174.75 1.71 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.262 2.641 . . . . 99.99 111.98 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.7 p -69.21 -51.65 35.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.185 0.594 . . . . 99.99 110.236 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 132.65 122.58 2.35 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.319 -0.712 . . . . 99.99 111.319 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . 0.501 ' HG2' HG13 ' E' ' 361' ' ' ILE . 40.9 tt0 61.43 -84.43 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.466 1.506 . . . . 99.99 111.289 -177.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . 0.501 HG13 ' HG2' ' E' ' 360' ' ' GLN . 1.6 pp -154.61 12.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.611 1.164 . . . . 99.99 110.399 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 73.73 -104.06 1.55 Allowed Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.068 -0.813 . . . . 99.99 111.068 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 62.06 -74.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.825 1.65 . . . . 99.99 112.666 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.8 m 65.35 36.97 6.56 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.66 1.184 . . . . 99.99 111.451 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.17 138.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.094 0.958 . . . . 99.99 110.072 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -111.66 159.64 18.01 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.702 -0.481 . . . . 99.99 109.702 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.66 -43.17 80.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.667 0.787 . . . . 99.99 110.116 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . 0.401 ' O ' HG11 ' E' ' 371' ' ' VAL . 0.2 OUTLIER -63.82 -32.16 73.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.515 0.726 . . . . 99.99 110.804 -175.42 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -57.74 -22.41 46.5 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.181 1.392 . . . . 99.99 112.598 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' E' ' 373' ' ' ARG . . . -56.38 -18.83 12.2 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.401 0.889 . . . . 99.99 113.401 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . 0.477 HG13 ' NE2' ' E' ' 372' ' ' GLN . 14.4 p -71.54 -33.4 49.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 122.588 0.355 . . . . 99.99 110.546 174.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . 0.477 ' NE2' HG13 ' E' ' 371' ' ' VAL . 2.8 mp0 -67.47 -46.36 73.24 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.195 -0.669 . . . . 99.99 109.195 166.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' E' ' 370' ' ' ALA . 40.9 ttm-85 -64.57 -21.96 66.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.462 1.105 . . . . 99.99 112.265 -173.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.38 85.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.231 0.613 . . . . 99.99 110.854 171.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.19 -33.6 61.44 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.863 0.865 . . . . 99.99 109.908 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.01 -21.52 60.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.514 0.726 . . . . 99.99 111.454 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.1 -42.35 56.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.81 1.79 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.876 0.735 . . . . 99.99 111.099 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -88.03 -66.52 0.91 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.483 0.313 . . . . 99.99 111.696 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 72.81 -56.98 0.65 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.425 1.49 . . . . 99.99 110.73 -166.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.46 136.27 0.05 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.028 1.331 . . . . 99.99 111.965 169.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 168.94 -87.86 0.09 OUTLIER Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.021 -0.832 . . . . 99.99 111.021 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -94.48 23.99 4.86 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 108.663 -0.866 . . . . 99.99 108.663 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 9.3 m -83.74 139.44 32.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.129 0.971 . . . . 99.99 109.572 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 53.8 tp 67.93 -77.87 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.937 1.295 . . . . 99.99 112.3 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.2 m -72.87 137.61 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 123.534 0.734 . . . . 99.99 112.179 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.3 109.81 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.961 -1.126 . . . . 99.99 107.961 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.52 119.06 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.323 1.049 . . . . 99.99 109.809 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.0 p -124.86 122.62 37.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.949 -1.13 . . . . 99.99 107.949 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.04 156.5 16.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.87 0.868 . . . . 99.99 110.21 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -138.6 164.77 28.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.778 1.231 . . . . 99.99 108.687 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 67.4 m80 113.88 -167.17 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 128.026 2.53 . . . . 99.99 110.748 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -54.19 126.84 24.48 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.227 1.011 . . . . 99.99 112.656 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -96.06 -43.77 7.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.919 0.888 . . . . 99.99 111.028 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -120.35 -48.58 2.3 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.326 0.65 . . . . 99.99 110.874 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 20.2 m -87.6 71.58 9.7 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.224 0.61 . . . . 99.99 110.65 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.79 84.06 5.64 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.124 0.57 . . . . 99.99 109.84 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 4.1 mp 39.11 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.876 1.67 . . . . 99.99 112.435 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 9.7 m -112.44 -50.85 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.947 0.499 . . . . 99.99 110.84 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 39.74 72.73 0.94 Allowed Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 125.142 1.377 . . . . 99.99 111.742 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.38 126.38 19.14 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 121.9 1.733 . . . . 99.99 111.849 -173.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -68.99 -33.09 73.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.723 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.2 m 61.64 20.64 11.48 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.019 1.328 . . . . 99.99 110.792 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.92 110.19 20.88 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.44 -0.948 . . . . 99.99 108.44 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -83.94 116.63 65.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 123.912 0.885 . . . . 99.99 110.297 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.26 88.96 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.187 1.925 . . . . 99.99 110.381 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -174.37 -110.88 0.26 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-O 118.909 -0.939 . . . . 99.99 110.899 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.81 30.46 20.02 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.893 0.877 . . . . 99.99 110.54 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 409' ' ' THR . . . . . 0.415 HG23 HD12 ' E' ' 412' ' ' LEU . 3.7 m -131.86 47.74 2.49 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.177 0.991 . . . . 99.99 108.933 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.69 -49.98 34.63 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 114.869 -1.06 . . . . 99.99 110.071 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -88.42 100.51 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.552 -0.907 . . . . 99.99 108.552 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . 0.415 HD12 HG23 ' E' ' 409' ' ' THR . 3.8 mm? -66.98 -27.58 67.57 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.609 0.763 . . . . 99.99 111.03 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 76.97 -43.33 0.44 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.839 1.656 . . . . 99.99 112.097 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 98.79 0.09 Allowed 'General case' 0 C--N 1.348 0.523 0 C-N-CA 123.623 0.769 . . . . 99.99 109.039 170.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -64.89 135.46 55.74 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.297 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.08 -40.71 86.05 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.278 0.986 . . . . 99.99 109.497 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 64.73 76.18 0.32 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 114.464 -1.244 . . . . 99.99 112.331 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.17 42.15 0.92 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.182 0.593 . . . . 99.99 110.841 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 9.9 t -87.88 58.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 124.406 1.082 . . . . 99.99 108.36 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 420' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' E' ' 423' ' ' SER . 3.4 mpp? 59.44 7.56 1.0 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.102 1.761 . . . . 99.99 114.939 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.05 -35.28 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 118.53 0.604 . . . . 99.99 111.351 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -137.69 8.8 2.84 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.481 0.712 . . . . 99.99 110.576 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 423' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' E' ' 420' ' ' MET . 28.7 t -130.58 117.51 19.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 -177.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.49 22.21 7.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.979 0.912 . . . . 99.99 108.76 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 78.45 90.53 0.37 Allowed Glycine 0 C--N 1.348 1.223 0 N-CA-C 108.607 -1.797 . . . . 99.99 108.607 -159.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -68.58 0.28 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.914 0.886 . . . . 99.99 111.742 -167.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 7.1 p -179.75 -64.97 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.931 0.492 . . . . 99.99 111.653 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . 0.586 ' HA ' ' HA3' ' E' ' 228' ' ' GLY . 41.3 mt-10 79.41 -51.84 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.663 1.585 . . . . 99.99 112.694 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 6.46 6.13 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.055 1.131 . . . . 99.99 114.055 -171.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.22 -66.68 0.37 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.647 1.179 . . . . 99.99 113.39 -160.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.1 m -92.79 -64.3 1.12 Allowed 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.527 0.517 . . . . 99.99 110.905 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . 0.597 ' HG3' ' HA2' ' E' ' 436' ' ' GLY . 0.0 OUTLIER -94.86 -67.4 0.86 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -167.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.27 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 120.994 0.426 . . . . 99.99 110.747 -165.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -101.29 -43.03 6.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.548 0.739 . . . . 99.99 109.534 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 26.5 m -157.82 -70.89 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.3 1.44 . . . . 99.99 107.207 170.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' E' ' 432' ' ' GLN . . . 159.68 98.45 0.14 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.757 -1.11 . . . . 99.99 110.878 -174.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 19.3 m 75.28 -36.71 0.31 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.627 1.571 . . . . 99.99 112.452 -177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . 0.441 ' HA ' ' HB2' ' E' ' 230' ' ' ALA . 2.6 mp0 65.32 15.87 10.24 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.137 1.375 . . . . 99.99 111.915 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.46 -177.77 4.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.92 0.888 . . . . 99.99 111.166 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' E' ' 231' ' ' LYS . 0.0 OUTLIER -136.69 151.36 49.18 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.499 1.12 . . . . 99.99 109.437 178.423 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 64.5 mt -112.74 150.52 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 124.425 1.09 . . . . 99.99 110.365 -172.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 76.56 -64.08 0.35 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.761 1.624 . . . . 99.99 112.932 168.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.78 97.45 0.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.532 0.733 . . . . 99.99 111.352 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -99.33 -50.14 4.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.57 0.748 . . . . 99.99 109.849 176.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 150.57 151.57 5.58 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.421 -0.655 . . . . 99.99 112.626 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.29 154.63 14.31 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.617 2.211 . . . . 99.99 111.612 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -99.82 -46.26 5.45 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.793 0.437 . . . . 99.99 110.529 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 66.05 114.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.061 1.344 . . . . 99.99 113.246 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 153' ' ' GLN . . . -112.69 95.43 5.42 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.863 0.865 . . . . 99.99 109.97 175.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -95.73 -89.33 0.25 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.622 0.769 . . . . 99.99 109.807 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.85 152.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.13 -1.433 . . . . 99.99 107.13 168.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 47.6 t 73.2 97.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.76 1.224 . . . . 99.99 110.572 -173.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -118.45 99.97 0.82 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.535 -1.026 . . . . 99.99 110.535 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 151' ' ' GLU . 95.9 mt -85.79 154.09 21.83 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.389 0.595 . . . . 99.99 111.168 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 97.5 m -142.87 139.27 30.77 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -157.15 -165.55 1.85 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.194 0.598 . . . . 99.99 110.742 -170.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -92.24 -52.44 4.68 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.02 . . . . 99.99 110.875 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 92.1 m -149.02 -59.52 0.22 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.762 0.825 . . . . 99.99 109.226 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.3 m-20 -112.37 -57.42 2.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.908 -1.145 . . . . 99.99 107.908 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 45' ' ' ASP . 1.9 tm? -149.83 144.79 26.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.776 -1.564 . . . . 99.99 106.776 172.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . 0.408 ' HZ ' ' CD2' ' A' ' 137' ' ' PHE . 25.5 p90 -63.66 85.38 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.043 0.937 . . . . 99.99 109.291 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -144.29 152.6 41.0 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.706 -0.621 . . . . 99.99 110.618 -170.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 3.4 t -161.17 -47.69 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.785 -1.098 . . . . 99.99 109.234 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.54 ' SD ' HD12 ' A' ' 42' ' ' LEU . 25.2 ttt 55.35 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.421 1.488 . . . . 99.99 111.613 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -151.11 146.49 26.19 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.226 1.01 . . . . 99.99 108.643 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.46 59.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.544 1.137 . . . . 99.99 112.419 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -160.19 167.16 28.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.045 0.938 . . . . 99.99 110.48 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.52 ' HB2' HG21 ' A' ' 40' ' ' VAL . 25.9 mt -78.54 -44.34 24.54 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.711 -0.677 . . . . 99.99 109.219 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 146.9 -90.61 0.15 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 115.838 -0.619 . . . . 99.99 113.31 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.401 HD21 HG21 ' E' ' 133' ' ' THR . 60.8 mt 61.35 34.86 18.2 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.56 1.144 . . . . 99.99 110.314 -167.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.485 1.114 . . . . 99.99 108.621 -179.028 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -145.9 6.35 1.04 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.801 0.84 . . . . 99.99 109.899 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.569 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 8.5 mp0 -98.28 41.86 1.12 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.743 1.217 . . . . 99.99 108.422 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -88.47 53.67 2.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.669 0.788 . . . . 99.99 109.976 -171.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 53.07 -97.65 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.385 1.474 . . . . 99.99 112.618 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t30 55.51 103.09 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.287 1.435 . . . . 99.99 111.721 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 p -88.33 -136.12 0.1 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.652 0.781 . . . . 99.99 110.154 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 73.71 39.46 0.55 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.703 1.201 . . . . 99.99 111.217 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HE2' ' NE2' ' A' ' 93' ' ' GLN . 1.4 mpt? -66.45 152.62 44.76 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.352 -0.84 . . . . 99.99 110.719 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 64.8 m -144.49 110.95 5.59 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.426 -1.324 . . . . 99.99 107.426 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.7 t80 -137.8 136.25 37.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.95 0.5 . . . . 99.99 110.307 -172.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -150.02 130.04 13.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.381 1.073 . . . . 99.99 108.325 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 99.99 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 34.4 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HE2' ' HB2' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 17.02 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 50.99 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 18.45 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 21' ' ' ILE . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 13.15 109.755 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 6.92 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 22.19 108.724 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 43.73 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' O ' HG21 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 20.0 m-70 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.714 ' HZ2' ' HG2' ' A' ' 71' ' ' GLU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 63.88 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 HD22 ' E' ' 468' ' ' LEU . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 73.6 109.424 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 99.99 109.031 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD21 HD21 ' E' ' 460' ' ' LEU . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 50.91 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 67.81 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 99.99 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 81.17 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 83' ' ' ILE . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' HB3' ' H ' ' E' ' 449' ' ' ALA . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.23 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 75.11 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 32.98 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 27.21 107.554 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 28.74 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 35.81 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 19.33 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 29.68 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 25.47 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 80.58 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 99.99 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.714 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 40.21 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 30.66 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 59.79 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 30.86 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 20.96 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 21.28 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 51' ' ' LEU . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 80.87 108.512 173.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.637 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -79.03 92.0 4.93 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.06 145.13 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.56 0.744 . . . . 99.99 110.624 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -167.52 161.25 13.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.122 0.969 . . . . 99.99 109.772 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.55 9.67 86.71 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 123.472 0.483 . . . . 99.99 114.166 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -111.74 135.66 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.03 0.532 . . . . 99.99 109.658 -175.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 12.6 pt-20 -156.42 170.98 21.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.332 0.653 . . . . 99.99 109.928 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.51 -117.12 9.16 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.49 0.493 . . . . 99.99 112.897 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.569 ' HB ' ' HG3' ' A' ' 3' ' ' GLU . 8.7 t -74.6 -34.23 62.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.301 1.04 . . . . 99.99 111.461 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.426 ' NE2' ' HE2' ' A' ' 9' ' ' MET . 23.9 tt0 -69.78 -32.92 71.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.569 0.747 . . . . 99.99 110.372 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.501 ' HB2' ' HA ' ' A' ' 90' ' ' GLU . 20.4 ttt -61.15 -47.73 84.86 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.941 0.897 . . . . 99.99 109.888 172.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' E' ' 455' ' ' THR . . . -63.17 -30.04 71.26 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.01 -0.995 . . . . 99.99 112.166 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.39 -59.34 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.43 0.692 . . . . 99.99 110.377 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 33.9 t -57.56 -46.88 83.4 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.744 0.646 . . . . 99.99 112.744 -166.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.6 -24.22 24.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 99.99 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.594 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 99.99 114.066 -174.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 79.06 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.481 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 59.39 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 99.99 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 83.34 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 42.55 111.668 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 17.98 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.412 ' HA ' ' NH1' ' A' ' 111' ' ' ARG . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 13.2 114.134 171.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 36.0 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 15.85 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 108' ' ' PRO . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 19.0 110.72 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 5.43 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.427 HG21 HG22 ' A' ' 64' ' ' VAL . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 18.83 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 22.63 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 6.65 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.414 ' HE3' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 88.83 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 51.92 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 39.96 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.68 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 11.33 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.544 HG23 ' NE ' ' B' ' 15' ' ' ARG . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 32.89 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 19.39 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 30.18 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 90.79 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.595 ' HB3' ' SD ' ' E' ' 464' ' ' MET . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 93.81 109.857 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 77.99 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HG3' HD11 ' C' ' 105' ' ' ILE . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 85.02 113.621 -168.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.68 109.11 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.12 107.97 19.2 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.92 -51.02 70.77 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.77 0.669 . . . . 99.99 110.254 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.61 -40.45 56.4 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.673 -170.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.68 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.133 0.424 . . . . 99.99 111.237 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -44.58 9.05 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.087 1.355 . . . . 99.99 112.239 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -87.55 -41.19 13.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.62 0.768 . . . . 99.99 111.896 -169.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 141' ' ' LEU . 93.1 mmm -58.21 -22.67 52.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.643 0.608 . . . . 99.99 112.643 -173.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -62.54 -46.37 88.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.55 0.69 . . . . 99.99 110.21 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.99 -31.44 66.25 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.388 -1.278 . . . . 99.99 111.272 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' A' ' 138' ' ' MET . 10.1 tt -63.58 -52.48 60.81 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 118.72 -0.657 . . . . 99.99 109.794 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 178.84 -19.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.81 1.041 . . . . 99.99 113.81 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.58 125.07 35.08 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.273 0.942 . . . . 99.99 111.072 -170.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -178.58 88.59 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.764 1.625 . . . . 99.99 107.952 173.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.98 -61.8 0.09 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.616 0.767 . . . . 99.99 110.476 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.23 -96.65 2.02 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.25 142.45 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.331 1.452 . . . . 99.99 112.703 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.64 -85.18 0.14 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.284 -0.871 . . . . 99.99 111.905 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 10.6 m -62.39 -26.1 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.424 1.09 . . . . 99.99 112.844 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.88 -34.05 71.2 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.856 0.863 . . . . 99.99 112.18 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -124.48 -44.9 1.96 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.368 0.667 . . . . 99.99 110.366 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.7 t60 70.18 38.37 1.49 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.052 1.341 . . . . 99.99 109.887 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.09 94.21 0.33 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.147 -0.933 . . . . 99.99 110.243 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 67.07 -70.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.353 1.461 . . . . 99.99 110.262 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . 0.446 ' HB1' ' HE3' ' C' ' 138' ' ' MET . . . . . . . . 0 C--O 1.25 1.125 0 C-N-CA 124.682 1.193 . . . . 99.99 110.894 174.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 109.859 -0.422 . . . . 99.99 109.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -86.57 -83.79 0.18 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.181 0.592 . . . . 99.99 109.467 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.95 119.6 19.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.886 0.874 . . . . 99.99 109.276 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -150.9 139.29 20.4 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.268 -1.753 . . . . 99.99 106.268 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 68.17 -175.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.036 0.934 . . . . 99.99 109.593 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 42.4 t30 63.5 99.35 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.522 1.129 . . . . 99.99 113.454 167.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p 51.0 -76.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.513 1.925 . . . . 99.99 115.16 167.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.2 -33.63 74.92 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.982 0.913 . . . . 99.99 111.26 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.55 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 26.4 ptm 48.04 -150.02 0.15 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.539 1.536 . . . . 99.99 111.998 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -134.97 131.89 37.72 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.952 -0.758 . . . . 99.99 108.952 167.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -143.91 137.06 27.57 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.916 0.486 . . . . 99.99 109.716 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.529 ' HG2' ' HB1' ' E' ' 64' ' ' ALA . 28.8 tp60 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 61.13 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.522 HE22 HG12 ' B' ' 55' ' ' VAL . 40.0 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 99.99 110.969 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.544 ' NE ' HG23 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 99.99 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 22.84 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 25.35 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 18.25 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 41.37 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 15.07 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 29.37 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 11.41 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 27.88 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 39.5 m-80 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 51.27 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' B' ' 29' ' ' PRO . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.434 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 10.1 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 99.99 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 99.89 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.446 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.596 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 99.99 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.593 HG23 ' HA ' ' E' ' 15' ' ' PHE . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 89.58 109.759 -168.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 50.34 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 99.99 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 44.59 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 98.19 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 93.17 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.522 HG12 HE22 ' B' ' 14' ' ' GLN . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 98.7 107.394 170.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . 0.442 ' CD1' ' HB ' ' E' ' 18' ' ' VAL . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 99.99 108.493 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 85.08 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 32.75 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 89.85 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 99.99 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 30.69 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 50.25 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 27.1 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' THR . . . . . 0.446 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 27.69 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 28.91 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.489 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 82.69 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 84.99 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 91.81 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 39.53 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.489 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 37.29 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 21.12 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 29.86 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 13.61 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 13.23 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.554 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 1.6 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 36.68 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 12.8 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 51.05 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 99.99 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 99.23 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 99.99 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.55 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.437 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 99.37 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 67.76 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 81.59 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 55.65 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 48.03 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 99.99 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 59.06 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 27.15 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 18.14 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 25.24 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 18.19 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.506 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 76.84 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.68 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 28.75 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 118' ' ' VAL . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 30.1 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 17.12 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.81 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.519 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 50.71 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 23.64 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' SER . . . . . 0.466 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 49.99 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 33.79 112.175 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 28.26 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 39.05 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . 0.414 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 99.99 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 99.99 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' E' ' 6' ' ' ILE . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 99.99 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 64.44 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 75.43 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.99 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.28 77.95 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' PHE . . . . . 0.411 ' HZ ' ' H ' ' E' ' 11' ' ' LEU . 23.5 t80 -81.06 -35.45 31.75 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.972 -1.013 . . . . 99.99 111.497 -166.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.97 -43.4 91.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.698 -0.683 . . . . 99.99 110.477 170.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.55 73.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.655 0.782 . . . . 99.99 111.686 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.63 -51.61 66.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.532 0.733 . . . . 99.99 109.405 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.12 -28.85 69.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 99.99 111.674 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' B' ' 138' ' ' MET . 5.7 mmt -79.59 -29.44 41.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.795 0.438 . . . . 99.99 110.515 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -19.4 60.22 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.367 0.667 . . . . 99.99 110.312 174.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.91 -42.48 14.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.066 0.46 . . . . 99.99 109.95 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 69.2 mt -91.54 23.68 3.38 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 99.99 110.175 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -78.01 160.0 28.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.545 1.138 . . . . 99.99 110.838 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 67.03 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.296 1.438 . . . . 99.99 110.961 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -89.74 78.43 6.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.372 0.606 . . . . 99.99 110.14 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.53 -81.93 0.01 OUTLIER 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.047 1.339 . . . . 99.99 108.099 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.88 -101.37 0.05 OUTLIER Glycine 0 C--N 1.353 1.509 0 O-C-N 123.922 0.764 . . . . 99.99 113.632 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -159.46 137.79 10.52 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 94.35 -145.62 17.77 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.89 -0.394 . . . . 99.99 113.217 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 47.3 m 78.35 -50.23 0.48 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.972 1.709 . . . . 99.99 111.556 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 58.96 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.06 1.344 . . . . 99.99 110.324 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.0 171.47 12.5 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.727 1.211 . . . . 99.99 109.325 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -72.39 -63.4 1.16 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.214 -0.661 . . . . 99.99 109.214 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -142.5 -76.22 0.27 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 106.066 -1.828 . . . . 99.99 106.066 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.07 4.42 1.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.284 1.434 . . . . 99.99 114.76 166.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 C-N-CA 123.965 0.906 . . . . 99.99 109.965 -175.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 109.717 -0.475 . . . . 99.99 109.717 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 76.15 -70.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.822 1.649 . . . . 99.99 111.476 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 59.8 -85.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.235 1.014 . . . . 99.99 111.769 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -167.21 159.92 13.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.893 0.877 . . . . 99.99 108.903 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ASN . . . . . 0.607 ' HB3' ' HB3' ' C' ' 8' ' ' GLU . 56.3 m-20 70.71 -83.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.92 1.288 . . . . 99.99 110.65 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 67.6 -64.06 0.28 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.717 1.607 . . . . 99.99 112.025 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -82.44 47.54 1.17 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.923 1.289 . . . . 99.99 110.807 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.736 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 12.1 tp10 -156.46 148.58 23.18 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.711 0.805 . . . . 99.99 108.905 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.736 ' SD ' ' HG3' ' C' ' 8' ' ' GLU . 1.9 mpt? 64.91 114.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.869 1.668 . . . . 99.99 110.881 -167.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' THR . . . . . 0.505 ' HB ' ' HB2' ' C' ' 87' ' ' ALA . 29.8 m -108.12 97.69 7.35 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.871 -0.789 . . . . 99.99 108.871 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 -121.92 134.81 54.85 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.833 0.853 . . . . 99.99 110.276 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.544 HD12 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 82.71 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.401 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 99.99 110.695 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 17.72 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' TYR . . . . . 0.492 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 9.52 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.53 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 51.3 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . 0.642 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 13.13 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 15.89 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 10.19 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . 0.464 ' HB1' ' HB1' ' C' ' 28' ' ' ALA . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 26.52 108.385 167.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 43.6 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.616 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 57.64 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.411 HG23 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 78.76 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.445 ' HZ ' ' HA ' ' E' ' 308' ' ' CYS . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 99.99 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' TRP . . . . . 0.406 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 72.29 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.616 HG22 ' HB ' ' E' ' 296' ' ' THR . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 99.99 108.749 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' LYS . . . . . 0.489 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.638 ' HB3' ' HB ' ' E' ' 288' ' ' VAL . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 99.99 106.178 170.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.577 HD23 HD11 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 99.99 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 90.89 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 55.92 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 78.18 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 57.25 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.548 HD13 HD13 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 99.99 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 97.58 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' TYR . . . . . 0.706 ' HB2' HD13 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' E' ' 145' ' ' ASP . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 43.88 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . 0.438 HG23 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 30.1 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.577 HD11 HD23 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 99.67 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . 0.524 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 31.81 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.79 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.483 HG23 HG21 ' C' ' 114' ' ' ILE . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 29.1 108.292 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 36.6 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 38.08 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 65.72 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 99.99 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 83.21 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . 0.637 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 40.89 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . 0.411 ' HA ' HG23 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 38.89 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 66.65 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' LEU . . . . . 0.446 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 32.91 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . 0.446 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 14.84 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.642 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 26.52 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 12.17 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . 0.548 HD13 HD13 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 39.17 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' ILE . . . . . 0.706 HD13 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt -115.57 121.99 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.505 ' HB2' ' HB ' ' C' ' 10' ' ' THR . . . -158.71 146.62 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.319 1.048 . . . . 99.99 109.366 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 104.65 96.9 2.44 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.877 -0.489 . . . . 99.99 111.877 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' ILE . . . . . 0.637 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 12.3 tt -66.57 119.57 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.817 0.847 . . . . 99.99 111.244 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' C' ' 94' ' ' MET . 27.0 mt-10 -100.1 -3.68 31.38 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.236 0.614 . . . . 99.99 110.673 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.92 -116.55 4.63 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.012 0.339 . . . . 99.99 113.203 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 63.0 p -71.69 -30.16 65.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.836 0.454 . . . . 99.99 110.805 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.96 -55.91 29.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.067 0.947 . . . . 99.99 110.48 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' MET . . . . . 0.507 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 21.3 ptm -66.3 -25.01 66.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.423 0.452 . . . . 99.99 112.091 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.45 -51.95 63.51 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.173 0.589 . . . . 99.99 110.886 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -82.33 -16.97 47.37 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.461 -0.336 . . . . 99.99 110.975 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m -66.08 -32.77 74.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.37 0.268 . . . . 99.99 110.611 170.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' LEU . . . . . 0.68 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 81.7 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 68.22 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' TYR . . . . . 0.493 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 85.73 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' PRO . . . . . 0.441 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 52.77 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.404 HD11 ' HG3' ' A' ' 130' ' ' PRO . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 18.22 109.721 169.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . 0.504 HD12 HD22 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 62.78 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 20.21 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 17.97 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 10.09 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 18.56 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 31.03 110.54 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.439 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 26.09 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.483 HG21 HG23 ' C' ' 64' ' ' VAL . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 21.24 110.443 174.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' THR . . . . . 0.466 HG21 ' HB3' ' B' ' 119' ' ' SER . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 14.3 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 10.17 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' MET . . . . . 0.563 ' HE2' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 12.08 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 54.79 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 23.93 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' THR . . . . . 0.451 HG22 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 27.3 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 36.76 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' PRO . . . . . 0.662 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 44.0 117.244 -177.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . 0.423 HE21 HG22 ' C' ' 115' ' ' THR . 0.6 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 92.07 110.443 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 43.42 109.852 173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 64.09 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 45.54 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 40.22 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 98.11 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -58.18 -41.35 83.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.64 -33.77 76.35 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.378 0.424 . . . . 99.99 111.515 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.79 80.13 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.139 0.576 . . . . 99.99 110.895 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.31 -38.32 89.83 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.783 -0.644 . . . . 99.99 111.147 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -68.13 -36.53 79.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.968 0.907 . . . . 99.99 110.534 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' MET . . . . . 0.446 ' HE3' ' HB1' ' A' ' 155' ' ' ALA . 13.5 tmm? -64.63 -42.91 95.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.133 0.973 . . . . 99.99 110.063 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.46 -37.42 77.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.703 -1.135 . . . . 99.99 111.219 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.63 -83.12 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.581 1.153 . . . . 99.99 110.333 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 49.6 tp 73.16 -62.78 0.46 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.389 1.476 . . . . 99.99 111.394 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.43 80.89 0.06 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.423 1.089 . . . . 99.99 111.59 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.27 -40.87 62.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.587 1.555 . . . . 99.99 111.677 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' GLN . . . . . 0.463 ' HB2' ' HB2' ' C' ' 147' ' ' GLU . 22.8 mp0 -77.55 13.65 1.21 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.096 -0.956 . . . . 99.99 112.098 -170.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 68.55 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.061 1.344 . . . . 99.99 110.671 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.43 -65.57 1.62 Allowed Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.43 -0.668 . . . . 99.99 111.43 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' C' ' 144' ' ' GLN . 0.9 OUTLIER 70.73 -75.2 0.08 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.518 1.527 . . . . 99.99 110.652 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.85 11.1 0.84 Allowed Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.871 -0.891 . . . . 99.99 110.871 -169.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.3 t -77.46 -149.36 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.48 1.112 . . . . 99.99 109.917 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 62.96 -94.71 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 108.245 -1.021 . . . . 99.99 108.245 -174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 151' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' C' ' 153' ' ' GLN . 21.9 tt0 44.64 -73.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 126.907 2.083 . . . . 99.99 115.14 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 75.0 m80 78.7 6.59 2.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 126.186 1.795 . . . . 99.99 112.219 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 153' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 8.8 tp-100 68.07 -67.03 0.2 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.91 1.284 . . . . 99.99 111.866 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 24.1 t70 74.77 136.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.103 1.361 . . . . 99.99 111.245 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.756 0.822 . . . . 99.99 110.949 -178.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' D' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.468 -0.567 . . . . 99.99 109.468 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -73.07 84.53 1.3 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.73 0.812 . . . . 99.99 109.817 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -117.11 -55.04 2.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.405 1.082 . . . . 99.99 109.286 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -82.52 156.64 23.91 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.575 -0.898 . . . . 99.99 108.575 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.39 27.85 0.9 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.199 0.6 . . . . 99.99 110.715 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -149.97 122.56 8.57 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 125.662 1.585 . . . . 99.99 106.809 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' THR . . . . . 0.42 HG21 ' H ' ' E' ' 88' ' ' GLU . 6.9 m -62.68 -59.21 5.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 99.99 110.616 -174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.589 ' HG2' ' H ' ' D' ' 9' ' ' MET . 28.9 tt0 172.79 -148.06 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 105.721 -1.955 . . . . 99.99 105.721 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' MET . . . . . 0.589 ' H ' ' HG2' ' D' ' 8' ' ' GLU . 23.6 ttt -30.52 134.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.066 1.346 . . . . 99.99 113.023 159.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t -105.34 157.83 17.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 79.57 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 99.99 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 81.0 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' TYR . . . . . 0.451 ' HB3' HG22 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 28.79 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 14.92 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 58.5 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . 0.657 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.563 HD12 ' HE2' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 14.63 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 15.53 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.528 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 6.05 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HB1' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 14.28 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 16.78 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 22.87 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' PRO . . . . . 0.522 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 21.13 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 30.2 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 64.18 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 34.41 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 54.02 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 34.31 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.527 HG13 HG11 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 83.42 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 99.99 109.787 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 97.22 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ASP . . . . . 0.419 ' HA ' ' HB3' ' E' ' 111' ' ' LEU . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 99.99 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 62.54 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.489 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 55.71 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 61.91 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.99 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 93.38 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 99.99 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ASP . . . . . 0.511 ' HB2' ' HG2' ' E' ' 313' ' ' GLN . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . 0.45 ' HA ' HD11 ' E' ' 100' ' ' LEU . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . 0.437 HG21 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 99.99 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 71.26 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' VAL . . . . . 0.481 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 36.06 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 79.92 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 22.5 107.216 162.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 23.18 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' VAL . . . . . 0.527 HG11 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 24.43 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 32.61 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 25.12 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' SER . . . . . 0.456 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 49.15 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 32.34 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 33.15 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 19.1 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 12.32 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 8.66 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 19.44 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 76' ' ' CYS . . . . . 0.668 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 10.02 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 29.4 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' GLN . . . . . 0.409 ' O ' HD11 ' D' ' 106' ' ' LEU . 7.6 tp-100 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.3 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 65.32 108.755 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' SER . . . . . 0.437 ' HB3' HG21 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 99.99 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.452 HG13 HD13 ' E' ' 97' ' ' ILE . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 99.99 109.431 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 89' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 94' ' ' MET . . . . . 0.647 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 99.99 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 99.99 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 70.12 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 64.46 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 46.86 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 45.41 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 38.42 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 87.71 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 105' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 35.35 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.409 HD11 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 21.86 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 12.38 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 8.42 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 15.0 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 17.35 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 111' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 12.17 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.56 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 114' ' ' ILE . . . . . 0.589 HG21 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 19.17 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 19.58 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 14.23 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 117' ' ' MET . . . . . 0.668 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 6.04 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 19.19 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 16.36 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 7.12 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 122' ' ' THR . . . . . 0.487 HG21 ' HE1' ' E' ' 131' ' ' TRP . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 35.79 111.252 173.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 27.88 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 17.97 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 33.77 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 99.99 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.47 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 35.86 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . 0.645 ' HB2' ' HA ' ' E' ' 124' ' ' SER . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 48.78 111.445 -176.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 130' ' ' PRO . . . . . 0.46 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 48.18 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 95.86 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -40.94 63.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.25 67.68 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.055 -0.975 . . . . 99.99 111.559 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.42 -25.28 50.59 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.279 0.632 . . . . 99.99 110.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -71.76 -33.24 68.48 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.433 -0.348 . . . . 99.99 110.12 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 35.0 mtt -67.63 -32.91 73.94 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.295 0.638 . . . . 99.99 110.324 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -65.19 -28.01 69.09 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.973 0.909 . . . . 99.99 111.66 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 140' ' ' TYR . . . . . 0.539 ' HD1' ' HA ' ' E' ' 115' ' ' THR . 69.8 t80 -84.44 -47.33 10.76 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.588 -0.523 . . . . 99.99 109.588 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -49.77 -27.04 4.42 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 126.211 1.805 . . . . 99.99 113.741 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -73.81 49.12 0.31 Allowed 'General case' 0 CA--C 1.57 1.713 0 C-N-CA 124.314 1.046 . . . . 99.99 112.665 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.9 92.67 4.02 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.235 1.017 . . . . 99.99 110.06 -173.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -139.13 -96.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 118.587 -0.72 . . . . 99.99 110.73 -168.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 53.35 62.33 2.7 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.535 0.683 . . . . 99.99 110.042 -169.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.47 -124.52 8.03 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 114.944 -1.025 . . . . 99.99 110.773 -169.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 60.08 24.05 13.29 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.175 1.39 . . . . 99.99 113.071 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.45 -60.12 4.86 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.741 -0.209 . . . . 99.99 112.761 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 8.2 m -58.91 -33.4 70.5 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.562 1.145 . . . . 99.99 112.455 -174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -109.55 -18.72 13.44 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.401 0.68 . . . . 99.99 111.122 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' D' ' 153' ' ' GLN . 9.9 tp10 -60.08 -53.17 60.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.23 0.612 . . . . 99.99 110.239 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 33.1 m80 55.37 37.26 28.64 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.068 0.947 . . . . 99.99 110.765 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 153' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' D' ' 151' ' ' GLU . 27.8 tt0 -60.34 -47.17 87.2 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.604 0.761 . . . . 99.99 111.809 -168.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -112.06 -42.68 3.7 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 99.99 108.774 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.756 -1.111 . . . . 99.99 108.511 -175.172 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' MET . . . . . 0.602 ' SD ' ' HB3' ' E' ' 10' ' ' LEU . 17.9 tpt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 110.428 -0.212 . . . . 99.99 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 59.5 mttp 63.87 69.56 0.54 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.571 1.148 . . . . 99.99 110.838 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.75 82.02 1.15 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.259 -0.882 . . . . 99.99 110.31 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 33.8 t -95.59 162.33 13.67 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.521 -0.763 . . . . 99.99 109.242 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -83.27 63.36 7.18 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 122.277 1.037 . . . . 99.99 109.253 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' B' ' 128' ' ' LEU . 11.2 tp -153.53 156.61 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.858 1.263 . . . . 99.99 108.39 -173.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . 0.596 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -92.63 29.64 1.71 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -148.14 104.66 3.56 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.84 -1.17 . . . . 99.99 107.84 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.49 -66.36 0.69 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.686 0.794 . . . . 99.99 109.13 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' LEU . . . . . 0.602 ' HB3' ' SD ' ' E' ' 1' ' ' MET . 36.2 tp -156.77 136.49 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.886 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' LEU . . . . . 0.411 ' H ' ' HZ ' ' B' ' 133' ' ' PHE . 18.2 tp -74.42 156.42 87.15 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.153 1.381 . . . . 99.99 108.867 173.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -47.25 -3.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.276 2.651 . . . . 99.99 116.739 162.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 28.3 tp 77.6 5.02 3.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 125.12 1.368 . . . . 99.99 110.737 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.35 126.92 25.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 106.334 -1.728 . . . . 99.99 106.334 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' PHE . . . . . 0.593 ' HA ' HG23 ' B' ' 46' ' ' THR . 26.6 t80 -116.3 154.25 30.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 43.5 m -54.96 112.72 4.39 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.777 0.831 . . . . 99.99 110.752 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.21 133.03 31.49 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.795 2.33 . . . . 99.99 112.553 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' B' ' 56' ' ' TYR . 3.5 m -59.11 -30.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 123.581 0.551 . . . . 99.99 111.46 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -127.01 -76.5 0.58 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.365 0.666 . . . . 99.99 109.398 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -166.44 140.1 4.06 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.308 0.643 . . . . 99.99 110.5 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 -0.42 9.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.38 1.072 . . . . 99.99 111.522 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -103.65 174.17 5.99 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.961 0.904 . . . . 99.99 110.574 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -72.2 136.27 81.87 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 110.083 -0.34 . . . . 99.99 110.083 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.29 145.99 97.82 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.799 2.332 . . . . 99.99 111.41 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.59 -43.46 98.75 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.738 0.815 . . . . 99.99 110.678 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtm 57.59 74.62 0.63 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.843 1.257 . . . . 99.99 110.298 -175.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.57 -34.15 96.8 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.218 2.612 . . . . 99.99 113.43 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 14.6 t 58.77 32.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 122.913 1.34 . . . . 99.99 109.612 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 tp -110.84 110.79 21.56 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.776 -1.102 . . . . 99.99 108.41 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 74.13 -71.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.265 1.426 . . . . 99.99 111.149 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.75 66.38 1.14 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.54 1.136 . . . . 99.99 110.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -75.11 131.51 40.57 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.572 -0.74 . . . . 99.99 112.257 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 103.44 1.81 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.501 0.721 . . . . 99.99 109.674 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.23 101.72 3.02 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.428 0.691 . . . . 99.99 110.017 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -115.77 176.94 4.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.34 1.056 . . . . 99.99 109.923 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 111.961 -0.455 . . . . 99.99 111.961 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.74 100.61 8.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 99.99 109.316 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 pt -123.65 12.15 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.132 0.973 . . . . 99.99 111.742 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m 66.85 87.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.489 1.116 . . . . 99.99 110.382 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.06 116.43 13.37 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.0 103.68 0.13 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 123.191 2.594 . . . . 99.99 112.579 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.53 -8.75 63.96 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 115.846 -0.615 . . . . 99.99 113.368 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . 0.657 ' HA3' HD21 ' E' ' 47' ' ' LEU . . . 89.05 -47.56 3.37 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.039 0.352 . . . . 99.99 112.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 75.66 150.58 0.11 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.915 1.686 . . . . 99.99 112.416 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 56.77 74.44 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.028 1.331 . . . . 99.99 111.553 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 65.55 -76.71 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.18 1.392 . . . . 99.99 111.602 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' LEU . . . . . 0.657 HD21 ' HA3' ' E' ' 43' ' ' GLY . 48.2 tp 65.69 -75.13 0.05 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.226 1.41 . . . . 99.99 111.123 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -74.25 1.08 12.22 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.599 1.16 . . . . 99.99 112.433 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.76 154.16 27.8 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.938 -0.465 . . . . 99.99 111.938 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -167.49 129.63 1.6 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.403 0.681 . . . . 99.99 110.824 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -94.71 -21.89 18.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.524 1.129 . . . . 99.99 112.133 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 58.4 m -74.08 -61.62 1.79 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.089 0.555 . . . . 99.99 112.376 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.12 -45.15 11.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.907 0.483 . . . . 99.99 110.16 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -172.17 4.02 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.758 0.823 . . . . 99.99 110.423 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.416 ' H ' HD21 ' E' ' 55' ' ' LEU . 1.9 pt? -125.89 118.35 25.25 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.797 0.439 . . . . 99.99 110.838 -173.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 56.85 60.84 2.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.87 1.268 . . . . 99.99 111.66 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 52.77 53.52 12.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.858 0.863 . . . . 99.99 111.807 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -55.71 127.52 30.43 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 112.218 0.451 . . . . 99.99 112.218 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt 89.94 -25.86 0.06 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.789 2.035 . . . . 99.99 113.253 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -145.41 74.02 1.38 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.491 0.662 . . . . 99.99 109.326 173.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -93.59 174.51 7.15 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.233 -0.894 . . . . 99.99 110.821 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 113.68 65.17 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.17 56.21 5.67 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 123.261 2.641 . . . . 99.99 110.576 172.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 64' ' ' ALA . . . . . 0.529 ' HB1' ' HG2' ' B' ' 12' ' ' GLN . . . 60.64 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 113.94 -1.482 . . . . 99.99 110.11 -163.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -179.85 -164.39 0.06 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.518 1.127 . . . . 99.99 109.003 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 66' ' ' ASN . . . . . 0.555 HD21 HG23 ' E' ' 80' ' ' ILE . 97.7 m-20 -85.62 136.99 33.16 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 165.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.76 143.11 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.055 0.942 . . . . 99.99 111.99 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 28.9 pt -89.4 28.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.592 1.157 . . . . 99.99 112.272 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -80.17 -57.95 3.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.782 -0.822 . . . . 99.99 108.782 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -94.65 26.5 3.47 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.006 -0.997 . . . . 99.99 111.153 -168.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.42 179.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.809 0.444 . . . . 99.99 110.687 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.03 56.95 0.18 Allowed Glycine 0 N--CA 1.465 0.627 0 N-CA-C 110.592 -1.003 . . . . 99.99 110.592 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -153.83 169.19 24.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.992 0.917 . . . . 99.99 109.121 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.55 -168.76 4.08 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 123.178 0.299 . . . . 99.99 112.878 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.99 4.95 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.257 1.027 . . . . 99.99 110.26 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.25 80.39 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.177 -1.374 . . . . 99.99 110.686 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -117.54 44.52 2.12 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.211 1.004 . . . . 99.99 110.678 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -79.23 -57.07 3.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.644 -0.707 . . . . 99.99 110.685 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -81.26 -32.61 33.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.877 0.871 . . . . 99.99 111.06 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 80' ' ' ILE . . . . . 0.555 HG23 HD21 ' E' ' 66' ' ' ASN . 3.3 mp 67.01 130.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.892 1.277 . . . . 99.99 110.576 -171.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -127.2 135.77 51.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.553 0.741 . . . . 99.99 110.143 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.16 173.19 5.84 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.086 0.954 . . . . 99.99 111.481 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.95 -171.2 3.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.373 0.669 . . . . 99.99 110.419 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 143.12 25.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.083 0.953 . . . . 99.99 110.837 173.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.88 -74.89 0.43 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.777 0.431 . . . . 99.99 110.86 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -161.04 144.14 12.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.777 0.431 . . . . 99.99 110.897 -169.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.86 38.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 99.99 109.576 176.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 88' ' ' GLU . . . . . 0.42 ' H ' HG21 ' D' ' 7' ' ' THR . 21.7 mt-10 -85.47 -70.59 0.58 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.724 0.81 . . . . 99.99 110.257 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.84 -78.6 1.51 Allowed Glycine 0 C--N 1.355 1.629 0 CA-C-N 115.875 -0.602 . . . . 99.99 111.908 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.8 17.87 10.78 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.927 1.291 . . . . 99.99 113.989 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.99 143.11 15.69 Favored Glycine 0 C--N 1.344 0.992 0 N-CA-C 111.782 -0.527 . . . . 99.99 111.782 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.64 -132.03 3.64 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 117.272 0.536 . . . . 99.99 112.874 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.5 113.38 10.54 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.431 0.692 . . . . 99.99 109.976 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.62 -177.83 3.22 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.667 0.787 . . . . 99.99 108.974 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -135.17 109.17 8.17 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.047 0.451 . . . . 99.99 109.904 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.94 -137.0 2.11 Favored Glycine 0 C--O 1.242 0.647 0 N-CA-C 109.212 -1.555 . . . . 99.99 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 97' ' ' ILE . . . . . 0.53 HG23 ' SD ' ' D' ' 94' ' ' MET . 9.5 mt 63.8 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 C-N-CA 124.237 1.015 . . . . 99.99 112.392 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.54 34.64 0.49 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.847 0.859 . . . . 99.99 111.828 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.55 129.25 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.543 1.137 . . . . 99.99 109.892 -164.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' D' ' 54' ' ' ASP . 3.5 mp -75.94 107.1 3.81 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 109.231 -0.655 . . . . 99.99 109.231 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -86.04 6.32 5.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.308 2.005 . . . . 99.99 111.434 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp 66.63 -83.18 0.03 OUTLIER 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.631 1.572 . . . . 99.99 109.893 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -148.24 3.31 0.68 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.864 1.266 . . . . 99.99 109.661 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.82 -52.82 4.62 Favored Glycine 0 C--N 1.357 1.717 0 CA-C-N 116.038 -0.528 . . . . 99.99 112.841 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 105' ' ' GLN . . . . . 0.489 ' HG3' ' HD1' ' E' ' 108' ' ' HIS . 50.1 tp60 -139.27 38.62 2.09 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.428 0.691 . . . . 99.99 109.948 -170.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 62.19 -81.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.034 1.334 . . . . 99.99 112.179 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 36.8 p -133.9 -90.04 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.12 -0.696 . . . . 99.99 109.12 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 108' ' ' HIS . . . . . 0.489 ' HD1' ' HG3' ' E' ' 105' ' ' GLN . 60.4 m80 52.04 19.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.594 1.158 . . . . 99.99 113.06 -174.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -134.96 -77.7 0.45 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.727 -1.583 . . . . 99.99 106.727 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.61 161.12 22.99 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 111' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' D' ' 45' ' ' ASP . 5.8 mp 61.67 79.35 0.26 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.13 0.972 . . . . 99.99 110.865 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -164.16 -67.56 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -165.38 -70.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.248 1.019 . . . . 99.99 108.952 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.02 122.82 28.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.931 0.892 . . . . 99.99 109.059 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 115' ' ' THR . . . . . 0.539 ' HA ' ' HD1' ' D' ' 140' ' ' TYR . 15.1 p -131.73 -67.5 0.68 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.353 1.061 . . . . 99.99 108.421 173.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 179.44 -115.79 0.49 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.987 -1.245 . . . . 99.99 109.987 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -122.13 109.64 33.34 Favored Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 108.746 -0.835 . . . . 99.99 108.746 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -80.01 35.21 0.56 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 123.333 2.689 . . . . 99.99 112.986 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.59 69.94 5.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.981 1.313 . . . . 99.99 110.047 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -175.76 -40.47 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.584 1.554 . . . . 99.99 108.423 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.28 -30.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 169.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 39.9 p -66.69 85.17 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.051 0.94 . . . . 99.99 110.222 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -156.26 -76.91 0.09 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 124' ' ' SER . . . . . 0.645 ' HA ' ' HB2' ' D' ' 129' ' ' ALA . 12.3 t 49.06 86.22 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.365 1.466 . . . . 99.99 112.934 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.29 79.34 0.37 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.272 0.558 . . . . 99.99 110.034 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -161.84 129.09 3.93 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.131 0.972 . . . . 99.99 109.758 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -161.62 168.47 23.4 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.751 0.82 . . . . 99.99 109.761 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -156.19 177.87 10.94 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.391 0.676 . . . . 99.95 111.002 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.5 t -123.04 163.47 20.43 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.443 -0.799 . . . . 99.99 109.843 -177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -96.78 -174.9 3.13 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 111.314 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 131' ' ' TRP . . . . . 0.487 ' HE1' HG21 ' D' ' 122' ' ' THR . 60.6 p-90 -148.97 162.91 38.95 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.867 0.867 . . . . 99.99 109.694 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 73.1 m -156.72 128.14 7.04 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 7.3 m -133.75 100.76 4.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.258 0.481 . . . . 99.99 109.924 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -78.53 137.82 20.15 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.477 -0.649 . . . . 99.66 111.477 171.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.98 -38.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.594 0.758 . . . . 99.99 110.788 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.46 81.96 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 126.476 1.91 . . . . 99.99 112.736 -171.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 21.4 p -62.07 -74.37 0.09 Allowed 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.352 1.242 . . . . 99.99 114.352 -162.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.95 -175.8 5.28 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.529 0.332 . . . . 99.99 111.141 -169.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -68.16 152.76 45.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.986 0.914 . . . . 99.99 110.93 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.93 -65.79 3.69 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.411 -0.359 . . . . 99.99 112.288 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 141' ' ' ALA . . . . . 0.476 ' HB3' HD11 ' C' ' 13' ' ' ILE . . . 60.38 15.34 5.39 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.16 0.984 . . . . 99.99 112.287 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 142' ' ' LEU . . . . . 0.416 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 8.1 mp 68.59 -56.33 0.52 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.847 1.659 . . . . 99.99 111.999 -167.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 143' ' ' GLY . . . . . 0.46 ' HA2' ' SG ' ' C' ' 102' ' ' CYS . . . -76.24 129.42 10.06 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.028 0.771 . . . . 99.99 115.028 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 144' ' ' VAL . . . . . 0.439 HG22 HD12 ' E' ' 278' ' ' LEU . 7.4 p -155.35 133.22 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 124.93 1.292 . . . . 99.99 108.289 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 145' ' ' ASP . . . . . 0.729 ' HB2' HG22 ' C' ' 58' ' ' VAL . 19.9 t70 -142.18 143.44 32.94 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.803 1.038 . . . . 99.99 113.803 -167.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 146' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' E' ' 278' ' ' LEU . 6.1 tt -127.54 102.78 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 106.523 -1.658 . . . . 99.99 106.523 163.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -58.05 121.83 11.57 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 116.363 -0.381 . . . . 99.99 111.984 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -81.01 127.46 32.61 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 167.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -141.33 103.14 4.36 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.939 -1.504 . . . . 99.99 106.939 171.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.37 146.85 23.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 151' ' ' HIS . . . . . 0.555 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 24.9 m170 -92.65 -47.51 0.31 Allowed Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.027 0.531 . . . . 99.99 110.603 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 152' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 16.8 Cg_exo -73.03 -169.17 0.47 Allowed 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 121.766 1.644 . . . . 99.99 111.687 164.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 3.9 m 59.89 41.52 17.73 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.795 0.838 . . . . 99.99 110.278 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 154' ' ' ILE . . . . . 0.478 HD11 ' H ' ' E' ' 154' ' ' ILE . 4.0 mp -67.94 -55.58 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.279 -0.873 . . . . 99.99 109.149 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.7 mp -107.12 -55.21 2.36 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.074 -1.084 . . . . 99.99 108.074 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 73.62 -49.71 0.69 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.779 1.632 . . . . 99.99 111.803 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 157' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' E' ' 158' ' ' ALA . 11.8 tmm? -60.39 155.16 18.7 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.351 1.061 . . . . 99.99 110.456 174.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 158' ' ' ALA . . . . . 0.463 ' N ' ' SD ' ' E' ' 157' ' ' MET . . . -48.57 108.74 0.19 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.627 1.171 . . . . 99.99 112.086 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 159' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' E' ' 159' ' ' LYS . 7.7 tmtt? -63.55 -30.83 71.89 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.38 1.072 . . . . 99.99 110.135 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.45 39.17 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.036 0.934 . . . . 99.99 112.284 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 67.42 -83.1 0.03 OUTLIER 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.27 1.428 . . . . 99.99 111.228 172.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -118.17 30.69 5.95 Favored Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 28.5 tp 60.71 33.95 20.09 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.62 1.168 . . . . 99.99 109.853 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.98 -79.43 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.078 1.351 . . . . 99.99 111.424 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.8 t -123.92 -1.86 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.188 0.995 . . . . 99.99 110.702 -175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.66 -87.05 1.32 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.678 -0.569 . . . . 99.99 111.678 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.47 -88.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.521 0.728 . . . . 99.99 109.284 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.2 p -177.85 -42.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.238 1.415 . . . . 99.99 107.885 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.1 m 70.47 -57.77 0.57 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.723 1.609 . . . . 99.99 112.113 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 2.7 m -74.88 76.75 2.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.314 1.046 . . . . 99.99 110.423 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -175.8 124.77 0.21 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 125.008 1.323 . . . . 99.99 108.425 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.16 127.62 6.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.486 0.714 . . . . 99.99 109.616 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 43.4 tp -124.5 123.91 41.14 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -72.71 84.67 1.18 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.205 1.002 . . . . 99.99 110.087 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -93.92 -48.87 6.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.955 -1.02 . . . . 99.99 109.268 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.22 122.75 28.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.953 -0.567 . . . . 99.99 111.005 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.2 m -138.28 121.14 10.97 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 106.922 -1.51 . . . . 99.99 106.922 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.37 66.07 7.93 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.347 2.698 . . . . 99.99 113.288 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.78 -177.46 0.08 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 99.99 113.684 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -94.33 161.95 14.04 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.824 0.85 . . . . 99.99 110.689 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.55 121.51 42.52 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.79 114.07 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 122.752 0.421 . . . . 99.99 110.022 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 56.66 23.72 8.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.527 1.131 . . . . 99.99 112.575 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 36.7 m80 55.96 -80.69 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.496 1.518 . . . . 99.99 111.681 -171.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.23 -43.66 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.914 0.886 . . . . 99.99 110.133 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 2.9 p 46.75 83.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.438 1.495 . . . . 99.99 113.778 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 20.2 p -71.64 151.33 43.8 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.286 0.635 . . . . 99.99 110.041 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 78.96 -29.74 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.885 1.674 . . . . 99.99 111.916 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.98 126.54 27.99 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.152 0.981 . . . . 99.99 109.497 177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 81.6 m 73.63 117.21 0.05 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.089 1.356 . . . . 99.99 109.892 -168.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 191' ' ' TYR . . . . . 0.66 ' HB2' ' HB3' ' E' ' 212' ' ' SER . 70.0 t80 73.71 131.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.29 1.436 . . . . 99.99 110.657 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 81.7 169.28 42.37 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.512 -0.605 . . . . 99.99 112.473 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.58 94.04 0.14 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.764 2.309 . . . . 99.99 112.223 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 35.3 p -102.34 31.51 3.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.205 1.002 . . . . 99.99 109.041 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -78.86 70.36 5.19 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.346 1.058 . . . . 99.99 110.229 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 4.8 t -82.29 -53.97 5.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.438 -0.801 . . . . 99.99 108.909 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 80.8 p 45.99 23.48 0.18 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.033 1.864 . . . . 99.99 116.033 161.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.67 -66.5 0.55 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.684 0.794 . . . . 99.99 111.39 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -90.11 59.26 4.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.438 0.695 . . . . 99.99 109.553 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.4 m 61.7 105.62 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.446 0 C-N-CA 124.474 1.11 . . . . 99.99 112.027 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.68 162.7 32.52 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.804 2.336 . . . . 99.99 113.709 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 101.71 -88.38 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 CA-C-N 115.773 -0.649 . . . . 99.99 113.313 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.37 -48.35 81.95 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.918 0.887 . . . . 99.99 111.62 -170.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -92.98 -24.04 18.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.655 0.782 . . . . 99.99 111.38 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.8 mp -98.5 -114.84 0.15 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 109.351 -0.611 . . . . 99.99 109.351 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 56.48 15.63 2.13 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.353 1.461 . . . . 99.99 112.549 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.53 112.88 8.02 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.332 -0.618 . . . . 99.99 109.332 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.07 -67.86 0.07 OUTLIER Glycine 0 C--O 1.246 0.89 0 O-C-N 123.921 0.763 . . . . 99.99 112.274 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 98.6 -168.36 22.71 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.244 -0.478 . . . . 99.99 112.295 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -91.75 4.22 53.3 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.126 0.97 . . . . 99.99 111.646 -171.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.46 179.77 48.21 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.936 -0.575 . . . . 99.99 113.188 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 212' ' ' SER . . . . . 0.66 ' HB3' ' HB2' ' E' ' 191' ' ' TYR . 73.9 m 62.81 18.56 10.83 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.427 1.091 . . . . 99.99 112.218 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 70.8 mt -138.06 -52.22 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.54 -1.281 . . . . 99.99 107.54 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 25.0 m 75.81 -31.1 0.19 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.086 1.354 . . . . 99.99 113.767 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.28 -29.83 68.71 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.691 0.796 . . . . 99.99 111.325 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -73.1 -11.91 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.473 1.109 . . . . 99.99 111.224 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 86.3 mt 81.55 135.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.576 1.95 . . . . 99.99 110.953 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 42.5 tp -118.68 129.19 55.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.041 0.536 . . . . 99.99 110.223 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -78.48 162.61 26.24 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 124.958 1.303 . . . . 99.99 110.801 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.05 -164.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.134 0.974 . . . . 99.99 112.495 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 68.4 18.43 9.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.476 1.111 . . . . 99.99 111.945 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -68.95 127.22 32.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.088 0.955 . . . . 99.99 110.392 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.56 155.99 39.62 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.917 0.887 . . . . 99.99 111.163 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.07 139.63 50.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.692 0.797 . . . . 99.99 109.83 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 3.8 t -133.31 77.37 1.72 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.726 0.81 . . . . 99.99 110.663 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.31 -75.01 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.213 1.405 . . . . 99.99 113.105 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 89.72 35.62 7.73 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 122.831 0.253 . . . . 99.99 112.646 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -155.5 178.92 31.85 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 112.006 -0.438 . . . . 99.99 112.006 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 102.22 53.27 0.95 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.714 -0.954 . . . . 99.99 110.714 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.33 72.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.73 0.812 . . . . 99.99 111.157 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 55.77 54.06 8.67 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.49 1.116 . . . . 99.99 112.122 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.6 p -72.22 84.46 1.04 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.401 0.68 . . . . 99.99 111.641 -176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -165.77 -43.06 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.827 1.251 . . . . 99.99 108.72 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.34 -81.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.727 1.611 . . . . 99.99 112.44 -173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.67 69.09 10.32 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.013 0.925 . . . . 99.99 110.95 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 59.6 p 50.92 -159.99 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.412 1.485 . . . . 99.99 113.421 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 60.87 27.67 17.48 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.834 1.254 . . . . 99.99 111.01 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 18.9 m -58.11 -42.12 85.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.473 1.509 . . . . 99.99 112.48 -173.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -138.78 50.06 1.86 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 99.99 108.797 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -80.07 51.48 4.11 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.864 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -93.75 70.61 4.11 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.418 1.087 . . . . 99.99 110.012 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 242' ' ' TRP . . . . . 0.417 ' HE3' ' HE2' ' E' ' 245' ' ' LYS . 6.4 m-90 -124.02 -5.85 7.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.821 -1.081 . . . . 99.99 109.738 172.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 53.67 -106.49 0.31 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.321 1.448 . . . . 99.99 112.441 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -78.21 -21.98 69.13 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 119.881 -0.4 . . . . 99.99 112.862 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 245' ' ' LYS . . . . . 0.417 ' HE2' ' HE3' ' E' ' 242' ' ' TRP . 93.8 mttt 67.16 -72.55 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.464 1.506 . . . . 99.99 111.171 177.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.1 m 75.42 -42.35 0.47 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.164 1.386 . . . . 99.99 114.506 169.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -19.85 61.24 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.34 1.237 . . . . 99.99 114.34 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 248' ' ' ARG . . . . . 0.533 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -50.98 -63.04 1.26 Allowed 'General case' 0 CA--C 1.555 1.149 0 O-C-N 124.434 1.084 . . . . 99.99 113.624 -161.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 249' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' E' ' 248' ' ' ARG . 33.3 mt-10 -88.63 -62.19 1.54 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.456 0.646 . . . . 99.99 111.246 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.17 -48.82 19.08 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 114.845 -1.071 . . . . 99.99 113.061 -159.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.9 70.66 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.339 0.866 . . . . 99.99 113.339 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.41 -33.96 61.0 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.461 0.476 . . . . 99.99 111.734 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -88.73 -66.91 0.87 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.921 0.488 . . . . 99.99 110.893 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 254' ' ' ARG . . . . . 0.516 ' HB3' ' HA ' ' E' ' 258' ' ' LEU . 59.7 mmt-85 -132.52 110.58 10.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 99.99 108.772 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -74.31 75.38 1.18 Allowed Glycine 0 C--N 1.349 1.305 0 O-C-N 123.18 0.3 . . . . 99.99 113.61 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 66.0 t80 68.49 -71.23 0.12 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.962 1.705 . . . . 99.99 113.103 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -72.88 8.2 1.65 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.835 1.05 . . . . 99.99 113.835 -173.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 258' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' E' ' 254' ' ' ARG . 31.6 tp 71.2 -80.82 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.57 1.148 . . . . 99.99 112.311 160.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.68 -36.75 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.336 0.654 . . . . 99.99 112.545 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.2 p -82.57 163.37 21.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.767 0.427 . . . . 99.99 110.69 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -79.5 -152.26 0.07 Allowed 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 108.433 -0.951 . . . . 99.99 108.433 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.25 -12.69 5.84 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.112 0.869 . . . . 99.99 112.254 171.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -46.44 -64.66 0.7 Allowed 'General case' 0 C--N 1.372 1.554 0 C-N-CA 124.841 1.257 . . . . 99.99 111.432 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 17.2 t 49.8 39.11 17.31 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.404 1.065 . . . . 99.99 112.052 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.74 124.01 19.17 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.042 0.537 . . . . 99.99 110.612 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.46 -53.89 41.19 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.266 0.626 . . . . 99.99 110.664 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.5 p -160.74 -76.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.312 -0.858 . . . . 99.99 109.315 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.83 -9.8 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.385 0.674 . . . . 99.99 111.436 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.6 t -130.98 160.59 34.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.307 0.643 . . . . 99.99 111.189 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -146.53 126.62 13.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.572 1.149 . . . . 99.99 108.85 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -91.25 0.61 57.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.131 0.973 . . . . 99.99 112.997 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 272' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' E' ' 273' ' ' GLN . 43.1 t30 -80.21 -62.64 1.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 119.107 -0.473 . . . . 99.99 112.002 -171.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 273' ' ' GLN . . . . . 0.476 ' HG3' ' H ' ' E' ' 275' ' ' LYS . 7.1 tp-100 162.73 134.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.243 . . . . 99.99 109.685 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.69 25.32 5.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.952 0.901 . . . . 99.99 110.054 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 275' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' E' ' 273' ' ' GLN . 2.4 pptp? -46.62 131.81 8.23 Favored Pre-proline 0 N--CA 1.49 1.533 0 C-N-CA 124.352 1.061 . . . . 99.99 112.625 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 276' ' ' PRO . . . . . 0.606 ' HG3' ' HH ' ' C' ' 56' ' ' TYR . 6.8 Cg_endo -92.7 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.966 2.444 . . . . 99.99 113.292 -166.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 277' ' ' LEU . . . . . 0.637 ' HB2' ' HB ' ' C' ' 89' ' ' ILE . 0.0 OUTLIER -71.28 73.77 0.69 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.447 1.499 . . . . 99.99 112.343 -177.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 278' ' ' LEU . . . . . 0.439 HD12 HG22 ' E' ' 144' ' ' VAL . 0.2 OUTLIER -144.18 -169.07 3.04 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.557 0.743 . . . . 99.99 109.386 -170.347 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 279' ' ' GLY . . . . . 0.434 ' O ' HD13 ' C' ' 98' ' ' LEU . . . -172.46 173.74 45.42 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.291 -0.723 . . . . 99.99 111.291 177.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 65.42 -170.65 0.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.616 1.166 . . . . 99.99 111.375 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 69.77 -14.31 0.36 Allowed 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.53 1.532 . . . . 99.99 113.809 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -60.52 -37.74 82.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.138 -0.689 . . . . 99.99 109.138 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.28 157.51 41.49 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.837 -1.074 . . . . 99.99 108.463 166.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.62 25.25 0.1 Allowed Glycine 0 N--CA 1.471 1.013 0 N-CA-C 111.656 -0.578 . . . . 99.99 111.656 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -89.82 112.42 23.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.113 0.965 . . . . 99.99 109.621 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 65.3 ttp -133.64 115.14 13.42 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 109.225 -0.657 . . . . 99.99 109.225 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 110.15 1.76 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.55 2.166 . . . . 99.99 110.76 174.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 288' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' C' ' 42' ' ' LEU . 46.1 t -81.83 114.89 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.046 0.539 . . . . 99.99 109.601 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -81.91 4.55 22.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.518 1.127 . . . . 99.99 112.141 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 290' ' ' TRP . . . . . 0.431 ' H ' HG11 ' E' ' 288' ' ' VAL . 90.6 m95 69.58 -170.83 0.17 Allowed 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.007 1.323 . . . . 99.99 112.22 -175.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 291' ' ' LEU . . . . . 0.541 HD22 ' HD2' ' E' ' 293' ' ' PRO . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.19 3.75 Favored Glycine 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 293' ' ' PRO . . . . . 0.541 ' HD2' HD22 ' E' ' 291' ' ' LEU . 31.7 Cg_exo -63.01 89.25 0.12 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.179 2.586 . . . . 99.99 111.637 172.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 294' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' E' ' 290' ' ' TRP . 15.0 tmtt? -140.93 114.92 9.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.794 -0.817 . . . . 99.99 108.794 -174.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.53 -51.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.625 1.57 . . . . 99.99 107.211 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 296' ' ' THR . . . . . 0.616 ' HB ' HG22 ' C' ' 40' ' ' VAL . 40.0 m 57.1 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.901 1.68 . . . . 99.99 113.147 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 297' ' ' TYR . . . . . 0.662 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 29.2 t80 -84.0 70.94 10.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.333 0.653 . . . . 99.99 110.963 -168.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -175.88 143.47 0.58 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.037 1.335 . . . . 99.99 108.44 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 87.06 -55.47 4.6 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 113.661 0.225 . . . . 99.99 113.661 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -88.61 28.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.105 0.962 . . . . 99.99 110.664 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 301' ' ' ILE . . . . . 0.559 ' HB ' ' HD3' ' C' ' 124' ' ' PRO . 6.1 tp -135.76 15.8 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 126.111 1.765 . . . . 99.99 108.012 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.19 -140.87 0.23 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.388 1.075 . . . . 99.99 109.016 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -113.25 92.79 23.5 Favored Pre-proline 0 N--CA 1.478 0.942 0 CA-C-N 119.572 1.078 . . . . 99.99 110.32 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.18 -30.74 1.99 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.175 1.917 . . . . 99.99 111.654 168.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -170.98 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.759 1.223 . . . . 99.99 108.873 -172.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.45 112.88 15.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.841 -1.17 . . . . 99.99 107.841 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.5 p -65.56 149.52 49.94 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 124.009 0.924 . . . . 99.99 111.229 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 308' ' ' CYS . . . . . 0.445 ' HA ' ' HZ ' ' C' ' 32' ' ' PHE . 52.5 t -71.41 89.68 0.93 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 172.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 45.1 p -58.65 125.8 77.85 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.47 1.108 . . . . 99.99 111.423 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 79.02 1.61 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.406 2.071 . . . . 99.99 111.29 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -77.43 -44.93 2.63 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 114.399 -1.273 . . . . 99.99 111.099 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.89 130.03 38.13 Favored 'Trans proline' 0 C--N 1.393 2.876 0 CA-C-N 121.37 1.525 . . . . 99.99 111.095 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 313' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' D' ' 53' ' ' ASP . 22.6 tm0? -56.82 114.27 2.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.888 0.875 . . . . 99.99 109.544 -177.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 91.08 1.77 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.226 1.013 . . . . 99.99 110.205 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -85.15 76.86 10.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.174 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -70.59 -40.63 73.13 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.047 -0.979 . . . . 99.99 111.181 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.1 m -113.78 104.57 12.34 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.574 -0.899 . . . . 99.99 108.574 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.6 148.87 35.58 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 124.22 1.008 . . . . 99.99 109.762 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 319' ' ' PRO . . . . . 0.527 ' HB3' ' HB3' ' E' ' 323' ' ' GLN . 24.2 Cg_exo -65.38 98.85 0.34 Allowed 'Trans proline' 0 C--N 1.369 1.649 0 C-N-CA 122.286 1.991 . . . . 99.99 111.227 174.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.9 p -90.94 78.15 6.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 122.853 0.461 . . . . 99.99 110.535 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.0 tt 58.31 62.87 1.87 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.725 1.21 . . . . 99.99 110.368 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.947 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 323' ' ' GLN . . . . . 0.527 ' HB3' ' HB3' ' E' ' 319' ' ' PRO . 6.7 tp60 -86.59 43.63 1.09 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.214 0.605 . . . . 99.99 110.823 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.6 mmt 47.71 61.19 3.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.634 1.174 . . . . 99.99 111.741 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 4.4 m -56.54 -43.76 80.19 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.43 -1.259 . . . . 99.99 112.117 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.13 -27.77 32.58 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.207 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? 76.52 -55.86 0.57 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.616 1.566 . . . . 99.99 110.786 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.71 31.73 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.197 0.999 . . . . 99.99 112.778 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.98 -7.81 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 123.645 0.778 . . . . 99.99 112.612 168.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.38 -51.6 66.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 45.4 tp -73.3 -41.58 63.4 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.529 0.732 . . . . 99.99 110.489 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 332' ' ' LEU . . . . . 0.482 HD12 ' HD3' ' E' ' 337' ' ' LYS . 37.2 tp -106.95 72.27 0.88 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.612 0.72 . . . . 99.99 110.044 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.2 m -79.87 -13.82 59.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.337 -0.847 . . . . 99.99 111.434 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -150.97 141.09 22.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.154 0.582 . . . . 99.99 110.298 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -53.89 -34.95 60.98 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.371 1.468 . . . . 99.99 113.793 -168.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -72.51 114.68 10.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.814 0.446 . . . . 99.99 111.159 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 337' ' ' LYS . . . . . 0.482 ' HD3' HD12 ' E' ' 332' ' ' LEU . 22.5 pttp -150.04 -30.6 0.21 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.531 1.132 . . . . 99.99 109.835 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 141.61 150.42 5.37 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.667 -0.573 . . . . 99.99 111.667 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.7 t80 58.51 90.84 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.864 1.266 . . . . 99.99 111.98 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -85.35 -59.11 2.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 58.7 tp -147.98 152.02 36.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.194 0.998 . . . . 99.99 109.229 -174.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.08 -58.68 3.75 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.123 0.487 . . . . 99.99 111.067 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.24 142.7 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.806 0.842 . . . . 99.99 108.891 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.56 115.5 21.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.119 0.568 . . . . 99.99 109.678 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -81.21 67.6 3.59 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.824 0.703 . . . . 99.99 111.783 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -105.64 -27.23 11.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.946 0.898 . . . . 99.99 111.171 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 47.7 t -88.93 -2.1 58.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.919 0.888 . . . . 99.99 111.425 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 12.6 tt -75.93 142.62 14.2 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 N-CA-C 109.277 -0.638 . . . . 99.99 109.277 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.35 148.79 49.19 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.131 0.573 . . . . 99.99 110.687 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.24 159.1 18.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.05 0.94 . . . . 99.99 109.751 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.2 104.08 0.05 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.063 0.945 . . . . 99.99 110.116 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.62 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.741 1.276 . . . . 99.99 110.832 -165.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.18 -64.77 0.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 177.85 75.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.992 0.917 . . . . 99.99 109.837 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -164.63 -67.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 111.792 0.293 . . . . 99.99 111.792 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 356' ' ' ASN . . . . . 0.526 HD21 ' HA ' ' E' ' 361' ' ' ILE . 59.1 t30 62.01 82.14 0.22 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.891 1.276 . . . . 99.99 108.968 -165.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.43 88.35 0.33 Allowed 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.589 2.193 . . . . 99.99 111.57 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 49.0 m 66.7 160.42 0.15 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.972 1.309 . . . . 99.99 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 78.33 97.85 0.23 Allowed Glycine 0 C--N 1.347 1.141 0 CA-C-O 119.853 -0.415 . . . . 99.99 113.102 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 57.8 56.19 4.96 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.813 1.245 . . . . 99.99 110.735 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 361' ' ' ILE . . . . . 0.526 ' HA ' HD21 ' E' ' 356' ' ' ASN . 34.2 pt -79.14 -12.45 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 115.626 -0.715 . . . . 99.99 111.311 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 166.64 -71.49 0.17 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 109.403 -1.479 . . . . 99.99 109.403 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 60.74 68.82 0.72 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.669 1.188 . . . . 99.99 111.57 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 72.9 p 55.69 80.98 0.13 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.973 1.709 . . . . 99.99 112.488 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.75 104.51 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.749 0.82 . . . . 99.99 109.353 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -114.11 100.49 8.43 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.607 -0.724 . . . . 99.99 111.462 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.22 -23.54 64.82 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.907 0.883 . . . . 99.99 109.205 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 368' ' ' ASP . . . . . 0.484 ' O ' HG22 ' E' ' 371' ' ' VAL . 31.7 t70 -53.21 -49.34 66.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.696 1.599 . . . . 99.99 112.636 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.47 -29.02 65.46 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.691 0.397 . . . . 99.99 111.291 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.81 68.65 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.344 0.658 . . . . 99.99 112.323 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 371' ' ' VAL . . . . . 0.484 HG22 ' O ' ' E' ' 368' ' ' ASP . 6.0 m -76.29 -20.62 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.851 0.46 . . . . 99.99 111.873 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.91 -29.39 55.92 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.065 0.946 . . . . 99.99 112.158 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -49.57 -46.45 48.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.234 1.014 . . . . 99.99 111.606 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.55 94.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.41 0.684 . . . . 99.99 111.271 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.41 -18.34 55.13 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.794 -0.639 . . . . 99.99 111.371 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.1 -29.73 55.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.037 0.935 . . . . 99.99 110.07 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . 0.407 ' O ' ' HG2' ' E' ' 381' ' ' GLU . 29.9 m-85 -65.73 -58.41 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 169.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.54 56.66 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.796 -1.093 . . . . 99.99 112.9 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -64.45 -35.34 80.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.274 1.03 . . . . 99.99 110.908 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -159.44 83.3 0.76 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.533 0.682 . . . . 99.99 111.833 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 381' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 27.7 mm-40 -106.42 113.07 26.36 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.929 0.892 . . . . 99.99 108.877 167.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.92 4.25 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 119.983 -0.343 . . . . 99.99 113.602 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.76 20.3 12.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.974 1.31 . . . . 99.99 111.835 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 42.2 p -75.32 -53.2 9.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.169 0.987 . . . . 99.99 110.228 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 56.1 tp -170.57 148.62 3.09 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.591 1.156 . . . . 99.99 108.58 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.98 103.47 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 121.814 0.816 . . . . 99.99 110.277 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.21 115.53 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.99 130.67 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 63.8 m -141.65 107.84 5.23 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -113.64 92.43 3.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.47 0.708 . . . . 99.99 109.52 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.54 125.38 7.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.839 -1.171 . . . . 99.99 107.839 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -67.86 125.72 27.16 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 123.306 0.379 . . . . 99.99 110.231 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.8 87.3 0.98 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 99.99 109.193 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -75.15 -40.46 59.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.822 -1.081 . . . . 99.99 110.541 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.5 -84.42 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.177 1.391 . . . . 99.99 111.827 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 71.1 m -141.2 50.53 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.675 1.19 . . . . 99.99 108.471 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 61.26 85.56 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.093 -1.412 . . . . 99.99 110.509 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.62 153.25 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 113.077 0.769 . . . . 99.99 113.077 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 25.5 t 50.54 74.1 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 124.585 1.154 . . . . 99.99 111.106 -171.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 400' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -177.37 -55.37 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 125.005 1.322 . . . . 99.99 110.396 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 401' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 59.2 Cg_endo -92.47 160.72 2.98 Favored 'Trans proline' 0 C--N 1.394 2.962 0 C-N-CA 122.357 2.038 . . . . 99.99 112.78 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 23.7 t70 63.14 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.599 1.16 . . . . 99.99 111.416 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 8.7 m 65.3 107.61 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.793 1.237 . . . . 99.99 112.353 173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -73.39 114.07 11.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.25 19.06 Favored Pre-proline 0 CA--C 1.558 1.262 0 CA-C-O 118.535 -0.745 . . . . 99.99 112.264 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.6 145.41 52.23 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 121.326 1.351 . . . . 99.99 112.678 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -64.81 125.23 30.22 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.797 -0.921 . . . . 99.99 110.797 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 408' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' E' ' 409' ' ' THR 0.271 0.5 OUTLIER 44.61 -79.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 126.135 1.774 . . . . 99.99 112.106 -163.342 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' E' E ' 409' ' ' THR . . . . . 0.424 ' H ' ' HG ' ' E' ' 408' ' ' LEU . 5.1 t -125.04 -32.3 3.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.444 0.698 . . . . 99.99 110.715 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -174.27 -33.43 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.888 1.275 . . . . 99.99 110.317 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 71.23 158.57 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.908 1.283 . . . . 99.99 111.908 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 55.1 tp -68.0 96.67 0.62 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.584 0.354 . . . . 99.99 110.092 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 65.48 16.87 10.73 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.932 1.293 . . . . 99.99 111.431 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 18.2 m 72.51 3.67 4.75 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.619 1.567 . . . . 99.99 111.927 -173.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -81.21 -174.32 4.82 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.356 -0.84 . . . . 99.99 110.201 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -54.05 -41.74 68.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.104 0.962 . . . . 99.99 110.87 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.17 -79.19 0.41 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 114.91 -1.041 . . . . 99.99 111.541 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.45 12.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.661 1.184 . . . . 99.99 111.899 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.08 73.08 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-O 123.319 1.533 . . . . 99.99 109.44 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 94.5 mmm -99.75 101.63 12.84 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 113.671 -1.604 . . . . 99.99 107.721 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 84.3 t 76.49 -22.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.599 0 C-N-CA 124.77 1.228 . . . . 99.99 111.426 -173.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.88 143.95 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.495 1.518 . . . . 99.99 111.56 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 54.6 m -144.55 169.31 18.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.149 0.98 . . . . 99.99 109.385 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -71.95 -21.2 61.63 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.374 0.67 . . . . 99.99 110.049 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 107.67 -124.37 7.54 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 110.491 -1.043 . . . . 99.99 110.491 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.95 88.26 7.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 170.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 2.1 p -101.17 39.11 1.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.73 1.212 . . . . 99.99 109.974 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 65.41 -104.3 0.1 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 114.343 -1.299 . . . . 99.99 112.429 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 429' ' ' GLU . . . . . 0.502 ' H ' ' HB3' ' E' ' 433' ' ' GLU . 41.0 tt0 -81.78 -75.67 0.28 Allowed 'General case' 0 C--N 1.369 1.429 0 CA-C-N 119.725 1.148 . . . . 99.99 109.55 -173.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -109.56 -78.17 0.59 Allowed 'General case' 0 C--N 1.365 1.271 0 CA-C-N 119.119 0.872 . . . . 99.99 111.641 159.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 37.2 t -106.11 -65.02 1.1 Allowed 'General case' 0 C--N 1.361 1.065 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.05 -17.88 26.97 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.789 -1.096 . . . . 99.99 113.831 -155.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 433' ' ' GLU . . . . . 0.502 ' HB3' ' H ' ' E' ' 429' ' ' GLU . 12.9 tp10 -55.86 144.4 28.08 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.789 0.681 . . . . 99.99 110.993 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -112.45 133.83 54.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.229 1.012 . . . . 99.99 109.991 -170.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 31.7 m -65.44 -46.69 78.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.658 0.783 . . . . 99.99 110.981 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 144.4 146.79 4.55 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 115.483 -0.781 . . . . 99.99 112.069 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 62.9 m -150.68 129.28 12.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.231 1.012 . . . . 99.99 109.075 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 438' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' E' ' 443' ' ' ALA . 26.2 tt0 -66.5 141.24 57.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.92 -0.77 . . . . 99.99 108.92 170.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 439' ' ' LEU . . . . . 0.565 ' HG ' ' H ' ' E' ' 440' ' ' ARG . 14.2 tp 66.31 -161.36 0.25 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.03 0.932 . . . . 99.99 108.55 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 440' ' ' ARG . . . . . 0.565 ' H ' ' HG ' ' E' ' 439' ' ' LEU . 78.4 mtp180 64.95 23.21 12.56 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.9 0.88 . . . . 99.99 112.233 170.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 1.8 mp 76.57 -36.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 125.848 1.659 . . . . 99.99 111.461 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.5 54.11 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.585 1.154 . . . . 99.99 111.735 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 443' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' E' ' 438' ' ' GLN . . . -135.92 73.45 1.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 168.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.31 -48.56 41.15 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.128 -0.942 . . . . 99.99 110.091 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.34 -177.85 29.05 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.104 -0.953 . . . . 99.99 111.85 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 160.36 47.94 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 122.989 2.459 . . . . 99.99 111.908 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.77 -45.0 96.03 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.58 -0.526 . . . . 99.99 109.58 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.07 177.5 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 0 O-C-N 124.637 1.211 . . . . 99.99 113.466 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 449' ' ' ALA . . . . . 0.582 ' H ' ' HB3' ' A' ' 53' ' ' ASP . . . -170.94 -169.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.169 1.387 . . . . 99.99 109.234 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -137.72 136.66 37.57 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.419 0.688 . . . . 99.99 109.96 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.59 -12.83 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.027 0.931 . . . . 99.99 110.116 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 452' ' ' VAL . . . . . 0.402 HG13 ' CD1' ' A' ' 56' ' ' TYR . 13.2 p -95.59 151.41 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 123.798 0.839 . . . . 99.99 111.002 -172.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 453' ' ' GLY . . . . . 0.402 ' H ' ' HE2' ' A' ' 94' ' ' MET . . . -154.21 152.43 24.01 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.53 -1.428 . . . . 99.99 109.53 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.8 77.53 7.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.526 0.679 . . . . 99.99 112.617 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 455' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 95' ' ' ALA . 23.8 p -85.48 87.38 7.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.885 -1.524 . . . . 99.99 106.885 163.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 171.1 15.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.202 0.525 . . . . 99.99 110.781 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -141.2 42.26 1.78 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 106.969 -1.493 . . . . 99.99 106.969 172.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.7 m -60.37 107.07 0.61 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 114.557 -1.201 . . . . 99.99 110.989 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -178.0 -62.46 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 460' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 44' ' ' LEU . 16.7 tp 53.99 75.68 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 113.703 -1.589 . . . . 99.99 110.449 -173.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -22.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.62 2.368 . . . . 99.99 116.382 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -106.35 -34.03 7.57 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.542 1.064 . . . . 99.99 112.628 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.8 p 40.15 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.431 1.092 . . . . 99.99 111.865 -164.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 464' ' ' MET . . . . . 0.595 ' SD ' ' HB3' ' A' ' 128' ' ' LEU . 43.8 ttm 179.31 112.1 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 99.99 108.719 171.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.09 92.89 4.57 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -146.68 150.08 34.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.173 0.989 . . . . 99.99 109.549 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -137.56 156.64 47.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.022 0.929 . . . . 99.99 109.643 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 468' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 40' ' ' VAL . 1.1 pt? -152.5 129.93 11.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.849 0.86 . . . . 99.99 109.268 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.49 -4.63 70.36 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.533 -0.758 . . . . 99.99 113.446 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 470' ' ' LEU . . . . . 0.415 HD21 HD11 ' E' ' 468' ' ' LEU . 91.4 mt 70.51 143.51 0.05 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.457 1.503 . . . . 99.99 111.839 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 118.86 -0.591 . . . . 99.99 109.552 -179.394 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.523 0.201 . . . . 99.99 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 87.02 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.906 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 27.8 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.639 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.603 HG21 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 12.57 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 37.56 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 5.43 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 6.92 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 5.61 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 12.68 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 32.78 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 57.34 112.029 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 48.36 109.026 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 97.85 107.497 169.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 43.33 109.947 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 41.53 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 88.8 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 73.87 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.04 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 54.22 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 29.36 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 19.86 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 13.6 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 17.22 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 14.92 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 21.43 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 23.61 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 57.75 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 93.1 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 30.12 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 22.88 109.093 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 30.01 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 14.44 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 9.47 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.647 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 20.02 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 66.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 110.668 -0.123 . . . . 99.99 110.668 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 95.56 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 94.48 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 73.2 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.443 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 48.9 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 94.19 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 55.88 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 21.71 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 15.39 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 9.95 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 20.66 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 7.34 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 15.45 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.603 ' SG ' HG21 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 4.41 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.554 HG22 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 7.34 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.701 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 7.28 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 4.96 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' CYS . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 48.88 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 26.6 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 17.97 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 8.38 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.53 HG22 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 20.1 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 13.71 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 20.05 113.881 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.701 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 56.76 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 62.97 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 56.46 110.964 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 77.42 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.278 -0.267 . . . . 93.55 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 40.88 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 85.25 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.53 HH21 HG22 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 95.33 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 13.6 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 23.1 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 21' ' ' ILE . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 6.51 109.889 173.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 19.94 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 18' ' ' THR . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 5.14 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 19.25 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 9.84 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 18.09 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 49.39 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 98.87 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 64' ' ' VAL . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 72.1 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 96.73 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 67.27 109.687 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 66.97 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 35.64 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 74.75 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 43.74 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 89.61 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.484 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 85.91 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 76.71 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE2' ' HB2' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 98.07 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.432 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 57.34 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 21.57 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 62.33 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 95.32 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 14.84 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 28.15 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 40' ' ' VAL . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 18.14 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 24.35 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 26.44 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 56.64 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 62.67 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 81.37 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 33.32 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 25.99 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 18.76 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 16.93 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 12.76 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 8.91 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 33.15 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 11.78 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 39.34 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 63.88 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 82.93 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 98.2 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' B' ' 91' ' ' GLY . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.421 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 71.23 112.195 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 59.87 113.519 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 71.19 111.091 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 50.37 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 36.29 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 87.59 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 37.19 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 13.07 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 10.37 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 12.29 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 8.75 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 59.14 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 13.3 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.468 ' O ' HG23 ' B' ' 118' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 9.86 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 13.13 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.02 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 26.78 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 13.3 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 29.79 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 23.15 111.001 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 23.84 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 29.89 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.488 HD11 HG21 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 72.13 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 73.04 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 90.81 112.573 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 43.15 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 61.27 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.57 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.122 -0.325 . . . . 99.99 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 56.3 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 93.16 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 11.74 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.454 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.581 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 6.91 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 21.95 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 5.12 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 9.28 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 8.82 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.668 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 12.04 108.467 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 30.41 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 72' ' ' THR . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.628 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' D' ' 83' ' ' ILE . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 48.75 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 55.24 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.443 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 88.6 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 68.93 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 87.15 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 94.05 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.519 HD21 HD12 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 71.87 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 62.96 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 35.73 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 56.22 110.618 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 43.42 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' C' ' 56' ' ' TYR . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 94.06 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 81.86 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 50' ' ' GLN . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.665 ' HB2' HD11 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 29.6 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.426 HG21 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 20.9 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.62 HD23 HD12 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 69.19 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 14.53 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.42 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.407 HG23 HD13 ' C' ' 114' ' ' ILE . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 17.7 108.016 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 29.53 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 32.22 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' SER . . . . . 0.438 ' HB3' HG23 ' C' ' 72' ' ' THR . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 59.66 110.838 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.42 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 97.29 109.448 176.514 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 76.35 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' THR . . . . . 0.438 HG23 ' HB3' ' C' ' 67' ' ' SER . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 37.0 110.295 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 34.06 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 39.96 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 16.54 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' C' ' 113' ' ' CYS . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 9.25 109.35 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 25.23 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 10.6 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.539 HD12 HD11 ' C' ' 51' ' ' LEU . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.569 ' HE1' ' HG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 36.3 pt . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 42.1 t . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.427 HD12 ' N ' ' C' ' 99' ' ' GLY . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' GLY . . . . . 0.427 ' N ' HD12 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 68.51 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 56.52 111.463 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.484 ' O ' HG12 ' C' ' 105' ' ' ILE . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.569 ' HG ' ' HE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 56.59 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 39.21 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 8.71 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.62 HD12 HD23 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 37.06 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 16.74 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 9.85 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 5.88 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 7.64 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.906 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 20.64 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.581 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 13.9 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.548 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 8.58 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 8.54 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 6.56 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.452 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 5.22 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 28.53 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 17.6 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 15.17 110.524 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.503 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 24.81 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 29.42 111.648 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.476 HD21 HG21 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 59.85 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 41.85 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 38.57 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.406 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 24.62 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.575 ' HG3' HD12 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 24.48 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 68.05 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 76.43 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.495 HD13 HG21 ' D' ' 105' ' ' ILE . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 79.46 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.532 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 53.22 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 19.87 111.174 -168.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 8.43 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.628 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 36.9 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.452 HD12 ' HG3' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 4.02 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 7.64 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 5.08 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 7.19 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 13.41 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 12.01 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB2' HD13 ' C' ' 51' ' ' LEU . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 20.55 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 22.26 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 34.6 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 31.63 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' TRP . . . . . 0.423 ' O ' ' HG2' ' D' ' 124' ' ' PRO . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 49.29 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 31.29 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 52.79 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 74.77 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 66.01 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 77.52 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 38.8 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 48.36 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 52.73 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.71 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 82.32 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 96.95 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 82.8 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.572 ' HB3' HD22 ' D' ' 98' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 44.56 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 19.48 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 52.2 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 9.25 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 10.79 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 40' ' ' VAL . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 9.72 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 19.36 108.354 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 11.33 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.545 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 29.87 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 24.97 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 27.84 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 11.35 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.545 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 10.67 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 7.73 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 11.05 107.52 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' D' ' 114' ' ' ILE . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 5.05 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.807 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 21.68 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.29 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' C' ' 29' ' ' PRO . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 43.57 107.807 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 77.58 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.575 HG22 ' HD2' ' D' ' 11' ' ' PHE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 88.57 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 88.9 112.096 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 97' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 95.17 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.622 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 66.02 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 54.11 110.928 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 40.76 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.622 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 34.31 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 28.69 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 61.29 109.281 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD13 ' D' ' 13' ' ' ILE . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 19.65 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 13.09 111.963 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 10.47 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 6.22 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 10.48 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 4.16 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 10.22 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.39 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.484 HG12 ' SG ' ' D' ' 76' ' ' CYS . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 5.37 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 7.06 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 6.71 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.419 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 5.08 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 114' ' ' ILE . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 5.65 109.596 173.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 10.21 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 6.99 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 18.26 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 20.06 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 16.85 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 14.84 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 76.73 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 20.32 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 28.37 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 32.68 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 69.78 109.304 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 133' ' ' PHE . . . . . 0.521 ' HB3' HD22 ' D' ' 44' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.664 -0.865 . . . . 99.99 108.664 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.514 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 87.02 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 27.8 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 12.57 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 37.56 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 5.43 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 6.92 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 5.61 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 12.68 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 32.78 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.4 m120 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 57.34 112.378 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 48.36 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 97.85 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 43.33 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 41.53 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 88.8 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 73.87 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.04 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 54.22 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.507 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 29.36 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 19.86 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 13.6 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 17.22 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 14.92 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 21.43 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 23.61 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 57.75 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 93.1 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 30.12 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 22.88 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 30.01 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 14.44 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.402 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 9.47 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HG3' HD22 ' A' ' 106' ' ' LEU . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 20.02 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 66.87 108.25 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' HD2' HG12 ' A' ' 13' ' ' ILE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 99' ' ' GLY . 3.4 pp . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' N ' HD12 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 95.56 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 94.48 114.386 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 73.2 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HD3' HG11 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 48.9 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 94.19 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 55.88 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 21.71 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 15.39 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 9.95 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 20.66 111.18 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 7.34 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.506 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 15.45 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.554 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 4.41 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 7.34 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.516 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 7.28 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 4.96 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 48.88 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 114' ' ' ILE . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 26.6 109.936 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 17.97 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.664 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 8.38 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.417 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.478 HG22 HH21 ' B' ' 15' ' ' ARG . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 20.1 110.454 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 13.71 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 20.05 113.031 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 56.76 107.623 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 62.97 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 56.46 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.547 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 77.42 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.765 -0.457 . . . . 93.55 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 40.88 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 85.25 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.478 HH21 HG22 ' A' ' 122' ' ' THR . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 95.33 110.439 -176.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 13.6 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 23.1 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.754 HG21 HD11 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 6.51 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 19.94 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.754 HD11 HG21 ' B' ' 18' ' ' THR . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 5.14 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 19.25 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 9.84 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 18.09 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 49.39 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.635 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 98.87 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 72.1 108.935 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.479 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 96.73 107.77 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 67.27 109.4 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 66.97 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 35.64 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 74.75 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 43.74 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 89.61 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 85.91 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 76.71 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 98.07 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 57.34 107.992 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 21.57 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 62.33 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.833 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 95.32 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 14.84 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.453 HG22 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 28.15 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 18.14 109.699 -168.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 24.35 107.296 167.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 26.44 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.46 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 56.64 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 62.67 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 81.37 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HZ1' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 33.32 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 25.99 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 18.76 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 16.93 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.49 ' SG ' HG23 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 12.76 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 8.91 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.833 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 33.15 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 11.78 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.441 HG23 HD12 ' B' ' 51' ' ' LEU . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 39.34 106.917 171.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 63.88 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 82.93 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 98.2 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.531 HD13 ' H ' ' B' ' 89' ' ' ILE . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 71.23 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 59.87 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 71.19 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 50.37 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 36.29 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 87.59 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 37.19 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 13.07 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' PHE . . . . . 0.509 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 10.37 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' TYR . . . . . 0.425 ' HE2' HG21 ' D' ' 115' ' ' THR . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 12.29 111.347 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 8.75 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 59.14 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.664 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 13.3 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.49 HG23 ' SG ' ' B' ' 76' ' ' CYS . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 9.86 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 13.13 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.02 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 26.78 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 13.3 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 29.79 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.554 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 23.15 112.86 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 23.84 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 29.89 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 72.13 109.613 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 73.04 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 90.81 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 43.15 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 107' ' ' PHE . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 61.27 112.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.57 110.882 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 56.3 108.214 164.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 93.16 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 11.74 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.423 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.409 HG21 ' SG ' ' C' ' 113' ' ' CYS . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 6.91 109.788 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' D' ' 28' ' ' ALA . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 21.95 108.739 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 5.12 106.549 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 9.28 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 8.82 107.208 175.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 12.04 109.297 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 30.41 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.475 ' O ' HG23 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 48.75 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.547 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 55.24 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 88.6 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 68.93 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.441 HG23 ' HE1' ' E' ' 290' ' ' TRP . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 87.15 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 94.05 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 71.87 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 62.96 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 35.73 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 56.22 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 43.42 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.582 HD11 HD12 ' C' ' 83' ' ' ILE . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 94.06 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 81.86 109.63 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.559 ' HB2' HD11 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.463 HG11 HD21 ' C' ' 98' ' ' LEU . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 29.6 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 20.9 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 69.19 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.765 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 14.53 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.42 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 17.7 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 29.53 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 32.22 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 59.66 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 97.29 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 76.35 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 37.0 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 34.06 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 39.96 110.906 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 16.54 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 9.25 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 25.23 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' C' ' 106' ' ' LEU . 54.4 tp60 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 10.6 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.582 HD12 HD11 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 30.38 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.432 0.158 . . . . 99.99 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.463 HD21 HG11 ' C' ' 58' ' ' VAL . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 68.51 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 56.52 111.503 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.428 ' SG ' HG11 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 56.59 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 39.21 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 8.71 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 37.06 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 16.74 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 9.85 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 5.88 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 7.64 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 20.64 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.515 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' C' ' 18' ' ' THR . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 13.9 111.697 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.522 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 8.58 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 8.54 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 6.56 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.531 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 5.22 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 28.53 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 17.6 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 15.17 111.762 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 24.81 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 29.42 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 59.85 107.228 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 41.85 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 38.57 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 24.62 112.946 -170.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 24.48 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 68.05 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 76.43 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.56 HG21 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 79.46 111.985 -170.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.56 HG23 HG21 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 53.22 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 19.87 112.372 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 8.43 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 36.9 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.531 HD13 ' HE3' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 4.02 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 7.64 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 5.08 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 7.19 108.681 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 13.41 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' C' ' 19' ' ' LYS . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 12.01 114.762 -166.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 20.55 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 22.26 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 34.6 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 31.63 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 49.29 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 31.29 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 52.79 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.56 HD11 HD22 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 74.77 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 66.01 111.058 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 77.52 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 38.8 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 48.36 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 52.73 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.71 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 82.32 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 96.95 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 82.8 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 44.56 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 19.48 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 52.2 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 9.25 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 10.79 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 9.72 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 65' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 19.36 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 11.33 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 29.87 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 24.97 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 27.84 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 11.35 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.475 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 10.67 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 7.73 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 11.05 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' HG23 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 5.05 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 21.68 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.29 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 43.57 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.446 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 77.58 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 88.57 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.523 ' HB2' HD13 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 88.9 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 95.17 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.452 HD21 HD12 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 66.02 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 54.11 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 40.76 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 34.31 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.591 ' HG3' HG11 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 28.69 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 61.29 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.442 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 19.65 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 13.09 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 10.47 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 6.22 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 10.48 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 4.16 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 10.22 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.39 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.561 HG23 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 5.37 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 115' ' ' THR . . . . . 0.425 HG21 ' HE2' ' B' ' 109' ' ' TYR . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 7.06 111.301 -173.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 6.71 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 5.08 111.958 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 5.65 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 10.21 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 6.99 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 18.26 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 20.06 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 16.85 110.964 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 14.84 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 76.73 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.56 HD22 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 20.32 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 28.37 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 32.68 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 69.78 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.441 ' HE1' HG23 ' C' ' 40' ' ' VAL . 30.9 t-105 . . . . . 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.486 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 87.02 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 27.8 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 12.57 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 37.56 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 5.43 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 6.92 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 5.61 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 12.68 109.188 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 32.78 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 57.34 111.083 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 48.36 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 97.85 109.401 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 43.33 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 41.53 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 88.8 109.966 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 73.87 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.04 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HB ' ' HE1' ' A' ' 84' ' ' PHE . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 54.22 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 29.36 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 19.86 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 13.6 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 17.22 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 14.92 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 21.43 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 23.61 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 57.75 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 93.1 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 30.12 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 22.88 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 30.01 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 14.44 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 9.47 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 20.02 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.545 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 66.87 108.665 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.486 ' HD2' HG12 ' A' ' 13' ' ' ILE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 95.56 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 94.48 111.983 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 73.2 112.595 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 48.9 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 94.19 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 55.88 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 21.71 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 15.39 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 9.95 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 20.66 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 7.34 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 15.45 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 4.41 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.4 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 7.34 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 125' ' ' GLN . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 7.28 110.239 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 4.96 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 48.88 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 26.6 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 17.97 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 8.38 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 20.1 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 13.71 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 20.05 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 115' ' ' THR . 7.1 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 56.76 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 62.97 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 56.46 113.047 -171.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 129' ' ' ALA . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 77.42 112.303 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.567 ' HZ ' ' HG ' ' B' ' 102' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 93.55 108.356 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.492 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 40.88 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 85.25 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 95.33 110.97 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 13.6 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 23.1 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.445 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 6.51 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 19.94 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 5.14 108.998 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 19.25 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 9.84 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 18.09 107.048 173.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 49.39 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.653 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' B' ' 123' ' ' PHE . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 98.87 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 72.1 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.513 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 96.73 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 67.27 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.51 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 66.97 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 35.64 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 74.75 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 43.74 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 89.61 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 85.91 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 76.71 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 98.07 108.566 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 57.34 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 21.57 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 62.33 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.51 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 95.32 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 14.84 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 28.15 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 18.14 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 24.35 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 26.44 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.571 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 56.64 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 62.67 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 81.37 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.403 HG21 HD21 ' B' ' 75' ' ' LEU . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 33.32 111.219 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.571 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 25.99 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 18.76 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 16.93 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 12.76 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 8.91 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 33.15 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.538 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 11.78 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 39.34 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.492 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 63.88 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 82.93 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 98.2 111.234 -170.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.483 ' HG3' HD12 ' B' ' 98' ' ' LEU . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.607 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 71.23 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 59.87 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 71.19 111.579 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.607 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 50.37 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 36.29 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 87.59 111.772 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 37.19 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 13.07 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 10.37 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 12.29 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 8.75 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 59.14 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 13.3 111.203 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.574 HG23 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 9.86 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' THR . . . . . 0.425 HG21 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 13.13 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.02 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.582 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 26.78 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 13.3 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 29.79 112.615 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 23.15 112.692 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' B' ' 31' ' ' VAL . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 23.84 110.958 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 29.89 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.489 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 72.13 106.524 170.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 73.04 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 90.81 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 43.15 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 61.27 111.193 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.57 110.966 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.84 0.352 . . . . 99.99 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.565 ' H ' HD12 ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 56.3 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 14.9 mm100 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 93.16 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 11.74 108.489 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 6.91 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 21.95 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.802 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 5.12 106.827 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 9.28 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 8.82 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 12.04 107.905 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 30.41 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.563 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 48.75 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 55.24 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 88.6 110.954 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASP . . . . . 0.436 ' O ' HD21 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 68.93 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 87.15 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 94.05 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 71.87 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 62.96 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 35.73 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 56.22 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 43.42 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' D' ' 29' ' ' PRO . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 94.06 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 81.86 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' C' ' 51' ' ' LEU . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 29.6 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 20.9 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 69.19 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 14.53 107.752 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.42 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.545 HG11 HD11 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 17.7 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 29.53 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 32.22 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 59.66 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.436 HD21 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 97.29 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 76.35 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 37.0 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 34.06 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 39.96 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 16.54 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 9.25 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.802 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 25.23 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 10.6 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 30.38 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' C' ' 11' ' ' PHE . 48.9 t . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 99.99 111.618 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 68.51 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 56.52 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.627 ' HB3' HG21 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 56.59 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 39.21 113.494 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 8.71 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' C' ' 82' ' ' GLY . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 37.06 112.382 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 16.74 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 9.85 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 5.88 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 7.64 110.43 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 20.64 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 13.9 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 8.58 111.414 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 8.54 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 6.56 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.565 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 5.22 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.489 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 28.53 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 119' ' ' SER . . . . . 0.425 ' OG ' HG21 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 17.6 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 15.17 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.563 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 24.81 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 29.42 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.439 ' HG2' ' HG3' ' B' ' 125' ' ' GLN . 15.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.545 HD11 HG11 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 59.85 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 41.85 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 38.57 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 24.62 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 24.48 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 68.05 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 76.43 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' D' ' 105' ' ' ILE . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 79.46 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 53.22 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.482 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 19.87 112.494 -165.402 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 8.43 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 36.9 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.565 HD13 ' HE3' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 4.02 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 7.64 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 5.08 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.806 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 7.19 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 13.41 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.806 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 12.01 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 20.55 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 22.26 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 34.6 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 31.63 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 49.29 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.451 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 31.29 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 52.79 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 74.77 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 66.01 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 77.52 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 38.8 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 48.36 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 52.73 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.71 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 82.32 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 96.95 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 82.8 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 44.56 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.562 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 19.48 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 52.2 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 9.25 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 10.79 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 9.72 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 65' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 19.36 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 11.33 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.562 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 29.87 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 24.97 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 27.84 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 11.35 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 10.67 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 74' ' ' PHE . . . . . 0.451 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 7.73 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 11.05 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 5.05 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 21.68 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.437 ' O ' HD13 ' D' ' 106' ' ' LEU . 67.5 tp60 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.29 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 43.57 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 77.58 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 88.57 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.674 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 88.9 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 95.17 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.638 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 66.02 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 54.11 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 40.76 112.2 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 34.31 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 28.69 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 61.29 110.277 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.506 HG21 HD13 ' D' ' 13' ' ' ILE . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 19.65 110.429 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 13.09 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 10.47 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 6.22 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 10.48 111.592 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 4.16 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 10.22 110.462 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.39 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.664 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 5.37 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 7.06 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 6.71 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 5.08 111.803 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 5.65 110.465 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 10.21 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 6.99 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 18.26 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 20.06 112.746 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 16.85 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.406 HD13 HG21 ' D' ' 40' ' ' VAL . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 14.84 109.538 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 76.73 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 20.32 109.352 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 28.37 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 32.68 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 69.78 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.168 0.509 . . . . 99.99 111.696 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' HD12 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 87.02 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 27.8 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 12.57 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 37.56 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 5.43 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 6.92 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 5.61 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 12.68 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 32.78 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 57.34 112.655 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 48.36 110.291 -177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 97.85 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 43.33 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 41.53 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 88.8 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 73.87 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' HD11 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.04 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 54.22 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 29.36 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 19.86 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 13.6 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 17.22 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 14.92 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 21.43 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 23.61 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 57.75 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 37' ' ' GLN . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 93.1 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 30.12 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 22.88 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 30.01 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 14.44 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 9.47 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 106' ' ' LEU . 52.5 tp60 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 20.02 112.343 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 66.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' HE1' HG22 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.512 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.16 0.43 . . . . 99.99 112.16 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 95.56 114.907 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 94.48 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 105' ' ' ILE . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 73.2 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 106' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 48.9 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 94.19 111.459 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 55.88 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.58 HD21 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 21.71 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 15.39 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 9.95 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 20.66 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 7.34 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 15.45 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 4.41 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.432 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 7.34 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.599 HG21 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 7.28 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 4.96 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 48.88 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 26.6 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 17.97 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 8.38 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.459 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 20.1 109.964 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 13.71 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 20.05 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.47 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 56.76 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 62.97 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 56.46 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 77.42 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.489 -0.189 . . . . 93.55 110.489 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 40.88 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 85.25 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.459 HH21 ' HB ' ' A' ' 122' ' ' THR . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 95.33 111.371 -173.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 13.6 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 23.1 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.575 HG21 HD11 ' B' ' 21' ' ' ILE . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 6.51 109.467 174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 19.94 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.575 HD11 HG21 ' B' ' 18' ' ' THR . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 5.14 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 19.25 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 9.84 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 18.09 109.522 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 18.7 m120 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 49.39 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.604 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.604 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 98.87 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 72.1 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 96.73 108.848 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 67.27 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 66.97 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 35.64 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 74.75 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 43.74 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 89.61 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 85.91 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 76.71 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 98.07 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 57.34 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 21.57 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 62.33 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.696 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 95.32 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 14.84 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 28.15 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 18.14 109.0 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 24.35 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 26.44 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.542 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 56.64 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 62.67 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 81.37 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 33.32 111.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 25.99 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 18.76 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 16.93 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 12.76 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' B' ' 113' ' ' CYS . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 8.91 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.696 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 33.15 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 11.78 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 39.34 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.495 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 63.88 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 82.93 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 98' ' ' LEU . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 98.2 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.472 ' SD ' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.501 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 71.23 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 59.87 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 71.19 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 50.37 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 36.29 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 87.59 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 37.19 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 13.07 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 10.37 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 12.29 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 8.75 111.142 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 59.14 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.567 ' HB3' HG21 ' B' ' 78' ' ' VAL . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 13.3 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.449 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 9.86 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 13.13 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.02 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 26.78 112.167 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 13.3 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 29.79 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.565 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 23.15 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 23.84 109.09 171.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 29.89 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 72.13 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 73.04 109.029 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 90.81 109.476 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 43.15 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 61.27 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.57 109.89 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 56.3 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 14.7 mm100 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 93.16 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.47 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 11.74 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.401 ' HB2' ' HA2' ' D' ' 121' ' ' GLY . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 6.91 109.059 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 21.95 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 5.12 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 9.28 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 8.82 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 12.04 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 30.41 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 48.75 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.719 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 55.24 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 88.6 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 41.7 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 68.93 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 87.15 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.402 ' H ' HD13 ' C' ' 42' ' ' LEU . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 94.05 109.271 171.512 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 71.87 110.131 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.697 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 62.96 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 35.73 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 56.22 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 43.42 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 94.06 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 81.86 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 29.6 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 20.9 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 69.19 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 14.53 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.42 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.539 HG23 HD13 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 17.7 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 29.53 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 32.22 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 59.66 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 97.29 109.008 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 76.35 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 37.0 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 34.06 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 39.96 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 16.54 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 9.25 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.753 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 25.23 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 10.6 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.499 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.535 HD12 HD11 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 30.38 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.484 0.183 . . . . 99.99 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 68.51 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 56.52 111.81 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.464 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 56.59 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.402 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 39.21 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 8.71 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.499 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 37.06 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 16.74 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 9.85 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.599 ' HE2' HG21 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 5.88 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 7.64 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 20.64 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 13.9 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.539 HD13 HG23 ' C' ' 64' ' ' VAL . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 8.58 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 8.54 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 6.56 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.611 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 5.22 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 28.53 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 17.6 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' THR . . . . . 0.431 HG23 ' HB3' ' D' ' 17' ' ' TYR . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 15.17 112.904 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.568 ' HE1' HG11 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 24.81 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 124' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' C' ' 123' ' ' PHE . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 29.42 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 59.85 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 41.85 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 38.57 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 24.62 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 24.48 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 68.05 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.243 0.761 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 76.43 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.655 HD13 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 79.46 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.591 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 53.22 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.431 ' HB3' HG23 ' C' ' 122' ' ' THR . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 19.87 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 8.43 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 36.9 109.48 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.611 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 4.02 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 7.64 108.749 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.573 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 5.08 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 7.19 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 13.41 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 12.01 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 20.55 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 22.26 109.088 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.527 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 34.6 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 31.63 109.263 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 49.29 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 37' ' ' GLN . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 31.29 112.196 -173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 52.79 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' D' ' 43' ' ' ASP . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 74.77 106.424 169.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 66.01 111.191 -166.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 77.52 109.527 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 38.8 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 48.36 110.401 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 52.73 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.71 108.813 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 82.32 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 96.95 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 82.8 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 44.56 109.664 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 19.48 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 52.2 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 9.25 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 10.79 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 9.72 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 19.36 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 11.33 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 29.87 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 24.97 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 27.84 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 11.35 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.56 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 10.67 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 7.73 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 11.05 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.481 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 5.05 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.555 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 21.68 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.29 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 43.57 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 77.58 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 88.57 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.444 ' H ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 88.9 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 95.17 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.703 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 66.02 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 54.11 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 101' ' ' TYR . . . . . 0.442 ' HA ' HD22 ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 40.76 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 34.31 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 28.69 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 61.29 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.655 HG21 HD13 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 19.65 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 13.09 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 10.47 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 6.22 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 10.48 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 4.16 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 10.22 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.39 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.548 HD12 HD11 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 5.37 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 7.06 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 6.71 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 5.08 111.541 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.52 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 5.65 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 10.21 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 6.99 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 121' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' C' ' 17' ' ' TYR . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 18.26 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.405 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 20.06 113.069 173.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 16.85 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.494 HD13 HG21 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 14.84 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 127' ' ' ASN . . . . . 0.459 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 76.73 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.548 HD11 HD12 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 20.32 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 129' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 28.37 110.401 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 32.68 114.286 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 69.78 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 110.41 -0.218 . . . . 99.99 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.161 -0.311 . . . . 99.99 110.161 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 87.02 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 27.8 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 12.57 109.554 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 37.56 110.244 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.892 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 5.43 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 6.92 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 5.61 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 12.68 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 32.78 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.771 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 57.34 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 48.36 109.154 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 97.85 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.622 HG21 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 43.33 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 41.53 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 88.8 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 73.87 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.04 106.608 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 98' ' ' LEU . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 54.22 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 29.36 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 19.86 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 13.6 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 17.22 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.659 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 14.92 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 21.43 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 23.61 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 57.75 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 93.1 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 30.12 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 22.88 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 30.01 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 14.44 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.659 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 9.47 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' O ' HD13 ' A' ' 106' ' ' LEU . 64.0 tp60 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 20.02 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.793 0.664 . . . . 99.99 112.793 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 95.56 114.204 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 94.48 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 73.2 114.271 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.445 ' HD3' HG11 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 48.9 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 94.19 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 55.88 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 21.71 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.431 ' HD1' HD11 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 15.39 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 9.95 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 20.66 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 7.34 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.604 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 15.45 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 4.41 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 7.34 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 7.28 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 4.96 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 48.88 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 26.6 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 17.97 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 8.38 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.42 HG21 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 20.1 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 13.71 108.749 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 20.05 112.693 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 56.76 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 62.97 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 56.46 111.124 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.604 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 77.42 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.499 ' HA ' HG22 ' B' ' 86' ' ' ILE . 16.8 t80 . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 93.55 107.867 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 40.88 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 85.25 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 122' ' ' THR . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 95.33 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 13.6 107.438 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.423 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 23.1 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 6.51 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 19.94 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.667 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 5.14 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 19.25 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 9.84 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 18.09 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 49.39 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.544 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 98.87 110.345 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' NE2' ' B' ' 37' ' ' GLN . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.522 HG11 HD11 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 72.1 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 96.73 108.377 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 67.27 110.021 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 66.97 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 35.64 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 74.75 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 43.74 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 89.61 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 85.91 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.56 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 76.71 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 98.07 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 57.34 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 21.57 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 62.33 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.752 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 95.32 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 14.84 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 28.15 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 18.14 109.494 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 24.35 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 26.44 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 56.64 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 62.67 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 81.37 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 33.32 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 25.99 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 18.76 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 16.93 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.683 ' SG ' HG23 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 12.76 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 8.91 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 33.15 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 11.78 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 39.34 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 63.88 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.611 ' HB3' HG22 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 82.93 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.512 HD11 HD21 ' B' ' 98' ' ' LEU . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 98.2 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.614 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.614 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.512 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 71.23 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 59.87 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 71.19 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 50.37 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 36.29 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 87.59 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 37.19 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 13.07 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 10.37 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 12.29 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 8.75 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 59.14 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 13.3 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.683 HG23 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 9.86 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 13.13 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.02 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 26.78 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 13.3 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 29.79 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 23.15 112.382 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 23.84 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 29.89 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.522 HD11 HG11 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 72.13 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 73.04 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.636 ' H ' HD23 ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 90.81 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 43.15 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.403 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 61.27 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.57 111.067 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.401 ' HE1' ' SG ' ' C' ' 102' ' ' CYS . 55.1 m-85 . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' C' ' 84' ' ' PHE . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 56.3 108.12 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 13.3 mm100 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 93.16 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 11.74 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' OG1' ' D' ' 122' ' ' THR . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 6.91 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 21.95 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 5.12 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 9.28 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 8.82 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 12.04 108.263 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 30.41 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' C' ' 25' ' ' ALA . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 48.75 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.571 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 55.24 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.504 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 88.6 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 68.93 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 87.15 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 94.05 108.765 173.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.643 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 71.87 108.255 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 62.96 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 35.73 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 56.22 110.312 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 43.42 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.518 HD11 HD12 ' C' ' 83' ' ' ILE . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 94.06 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 81.86 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 29.6 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 20.9 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 69.19 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 14.53 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.42 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 114' ' ' ILE . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 17.7 108.657 -172.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 29.53 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 32.22 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 59.66 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.557 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 97.29 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 76.35 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 37.0 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 34.06 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 39.96 111.815 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 16.54 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 9.25 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 25.23 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 63.8 tp60 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 10.6 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 30.38 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' C' ' 13' ' ' ILE . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.965 0.412 . . . . 99.99 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.436 ' O ' ' HD3' ' C' ' 103' ' ' PRO . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 68.51 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 56.52 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 56.59 113.053 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' C' ' 98' ' ' LEU . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 39.21 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.477 HD12 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 8.71 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 37.06 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 16.74 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 9.85 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 5.88 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 7.64 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 20.64 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 13.9 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.649 HG21 HG21 ' C' ' 64' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 8.58 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 115' ' ' THR . . . . . 0.46 HG23 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 8.54 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 6.56 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.561 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 5.22 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 114' ' ' ILE . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 28.53 110.124 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 17.6 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 122' ' ' THR . . . . . 0.46 HG23 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 15.17 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 24.81 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 29.42 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 59.85 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 41.85 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 38.57 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 24.62 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 24.48 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 68.05 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 76.43 108.377 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.657 HD13 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 79.46 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 53.22 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HB3' HG23 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 19.87 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 8.43 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 36.9 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 4.02 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 7.64 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 5.08 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 7.19 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 13.41 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 12.01 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.428 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 20.55 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 22.26 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 34.6 110.973 -170.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.455 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 31.63 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 49.29 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 31.29 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.483 HG21 HD13 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 52.79 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 74.77 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.43 HD23 HD11 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 66.01 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 77.52 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 38.8 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 48.36 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 52.73 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.71 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 82.32 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 96.95 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' D' ' 87' ' ' ALA . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 82.8 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 44.56 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.514 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 19.48 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.43 HD11 HD23 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 52.2 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 9.25 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 10.79 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 9.72 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 19.36 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 11.33 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.501 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 29.87 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 24.97 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 27.84 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 11.35 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.501 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 10.67 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 7.73 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 11.05 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 5.05 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 21.68 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.462 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.29 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 43.57 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 77.58 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 88.57 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.492 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 88.9 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 95.17 111.796 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 66.02 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 54.11 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 40.76 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 34.31 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 28.69 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.471 HD21 ' HA ' ' D' ' 132' ' ' ASN . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 61.29 111.521 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.657 HG21 HD13 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 19.65 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.462 HD13 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 13.09 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 10.47 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 6.22 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 10.48 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 4.16 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 10.22 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.39 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.426 HG12 ' SG ' ' D' ' 76' ' ' CYS . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 5.37 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 7.06 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 6.71 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 5.08 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 5.65 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 10.21 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 6.99 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 122' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' C' ' 17' ' ' TYR . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 18.26 111.595 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 20.06 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 16.85 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.483 HD13 HG21 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 14.84 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 76.73 108.05 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 20.32 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 129' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 28.37 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 32.68 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 69.78 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD21 ' D' ' 104' ' ' ASN . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.627 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.297 0.57 . . . . 99.99 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.63 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 87.02 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 27.8 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 83' ' ' ILE . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 12.57 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 37.56 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 5.43 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 6.92 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HB2' ' HE3' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 5.61 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 12.68 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 32.78 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.486 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 57.34 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 48.36 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 97.85 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 43.33 109.641 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 41.53 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 88.8 109.691 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 73.87 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.04 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 98' ' ' LEU . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 54.22 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 29.36 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 19.86 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 13.6 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 17.22 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 14.92 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 21.43 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 23.61 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 57.75 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 93.1 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 30.12 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 22.88 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 30.01 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 14.44 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 9.47 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 20.02 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' HE1' ' A' ' 17' ' ' TYR . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 66.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.6 pp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 95.56 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 94.48 113.255 -167.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 73.2 111.483 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD3' HG11 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 48.9 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 94.19 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 55.88 110.952 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 21.71 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.469 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 15.39 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 9.95 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 20.66 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 7.34 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 15.45 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 4.41 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 7.34 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.567 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 7.28 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 4.96 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 48.88 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 26.6 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 17.97 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 8.38 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 20.1 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 13.71 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.486 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 20.05 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' HG11 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 56.76 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 62.97 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 56.46 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 77.42 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 50.9 t80 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 93.55 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 40.88 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 85.25 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 95.33 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 13.6 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 23.1 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.485 HG21 HD11 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 6.51 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 19.94 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 113' ' ' CYS . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 5.14 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 19.25 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 9.84 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 18.09 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 49.39 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.869 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.616 ' HB3' HD13 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 98.87 110.254 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 72.1 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 96.73 110.688 -172.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.512 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 67.27 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.768 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 66.97 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 35.64 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 74.75 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 43.74 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 89.61 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 85.91 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 76.71 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 98.07 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.714 ' HB2' HD11 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.429 HG11 HD22 ' B' ' 98' ' ' LEU . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 57.34 109.237 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 21.57 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 62.33 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.768 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 95.32 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 14.84 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 28.15 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 18.14 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 24.35 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 26.44 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 56.64 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 62.67 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 81.37 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 33.32 111.755 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 25.99 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.463 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 18.76 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 16.93 106.748 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 12.76 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' B' ' 113' ' ' CYS . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 8.91 108.924 176.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 33.15 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 11.78 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 39.34 108.336 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 63.88 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 82.93 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 98.2 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 71.23 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 59.87 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 71.19 112.042 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 50.37 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 36.29 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 87.59 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 37.19 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 13.07 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 10.37 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 12.29 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 8.75 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 59.14 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 13.3 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 9.86 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 13.13 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.02 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 26.78 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 114' ' ' ILE . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 13.3 110.138 175.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 29.79 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.447 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 23.15 112.503 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 23.84 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 29.89 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.524 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 72.13 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 73.04 107.97 168.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 90.81 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 43.15 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 61.27 111.508 173.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.57 109.766 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.939 -0.393 . . . . 99.99 109.939 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 56.3 108.352 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.701 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 93.16 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 11.74 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 6.91 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 21.95 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 5.12 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.629 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 9.28 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 8.82 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 12.04 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 30.41 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.63 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 48.75 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 55.24 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 88.6 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.583 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 68.93 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 87.15 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 94.05 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.499 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 71.87 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 62.96 111.092 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 35.73 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 56.22 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 43.42 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.449 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.548 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 94.06 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 81.86 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 29.6 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 20.9 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 69.19 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.744 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 14.53 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.499 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.42 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 17.7 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 29.53 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 32.22 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 59.66 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.621 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 97.29 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 76.35 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 37.0 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 34.06 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 39.96 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 16.54 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 9.25 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 25.23 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 10.6 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.51 HD12 HD11 ' C' ' 51' ' ' LEU . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 30.38 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.925 0.393 . . . . 99.99 111.062 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.532 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 68.51 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 56.52 111.978 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 56.59 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.562 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 39.21 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 8.71 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.562 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 37.06 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 16.74 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 108' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' C' ' 111' ' ' ARG . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 9.85 113.938 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.567 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 5.88 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.508 ' HA ' HG11 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 7.64 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 20.64 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 13.9 110.823 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 8.58 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 8.54 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 6.56 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' C' ' 23' ' ' PHE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 5.22 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 28.53 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 17.6 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 15.17 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 24.81 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 29.42 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 59.85 109.307 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 41.85 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.729 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 38.57 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 24.62 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 24.48 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 68.05 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 10' ' ' THR . . . . . 0.505 HG23 HE22 ' D' ' 12' ' ' GLN . 98.0 m . . . . . 0 C--O 1.237 0.425 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 76.43 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' GLN . . . . . 0.505 HE22 HG23 ' D' ' 10' ' ' THR . 23.4 mp0 -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.449 HD13 HG21 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 79.46 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 53.22 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 19.87 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' THR . . . . . 0.404 HG21 HD11 ' D' ' 21' ' ' ILE . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 8.43 109.986 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.63 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 36.9 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.453 HD13 ' HE3' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 4.02 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 7.64 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 5.08 104.426 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 7.19 109.219 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 13.41 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 12.01 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 20.55 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 22.26 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' D' ' 73' ' ' ALA . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 34.6 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 31.63 109.037 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 49.29 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 31.29 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 52.79 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 74.77 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.446 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 66.01 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 77.52 109.897 173.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 38.8 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 48.36 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 52.73 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HA ' ' D' ' 52' ' ' ALA . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.71 110.261 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 82.32 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' D' ' 50' ' ' GLN . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 96.95 115.606 -154.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 82.8 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 44.56 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.625 HG12 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 19.48 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 52.2 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 9.25 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 10.79 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 9.72 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 19.36 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 11.33 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 29.87 111.142 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 24.97 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 27.84 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 11.35 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.574 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 10.67 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 7.73 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 11.05 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 5.05 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 21.68 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.423 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.29 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.5 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 43.57 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 77.58 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.706 HG12 HD11 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 88.57 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 87' ' ' ALA . . . . . 0.414 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.706 HD11 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 90' ' ' GLU . . . . . 0.589 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 88.9 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 95.17 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 66.02 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 54.11 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 40.76 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.536 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 34.31 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 28.69 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.44 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 61.29 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 19.65 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 80' ' ' GLN . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 13.09 111.696 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 10.47 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 6.22 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 10.48 111.384 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 110' ' ' ALA . . . . . 0.421 ' CB ' HG21 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 4.16 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 10.22 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.39 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.671 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 5.37 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 7.06 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 6.71 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 5.08 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 5.65 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 10.21 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 6.99 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 18.26 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 123' ' ' PHE . . . . . 0.451 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.57 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 20.06 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 16.85 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 14.84 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 76.73 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 20.32 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 28.37 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 32.68 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 69.78 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 133' ' ' PHE . . . . . 0.446 ' HD1' HD13 ' D' ' 44' ' ' LEU . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.464 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.464 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 . . . . . 0 C--O 1.24 0.581 0 N-CA-C 109.811 -0.44 . . . . 99.99 109.811 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 16' ' ' ILE . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 87.02 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 HD13 ' A' ' 13' ' ' ILE . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 27.8 108.959 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 12.57 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 37.56 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 5.43 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 6.92 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 5.61 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 12.68 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 32.78 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' HD22 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 57.34 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 48.36 110.438 -175.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 97.85 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.86 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.656 ' H ' HD23 ' A' ' 44' ' ' LEU . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 43.33 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 41.53 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 88.8 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 73.87 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.558 ' HB2' HD11 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.04 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 54.22 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 29.36 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 19.86 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 13.6 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.86 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 17.22 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 14.92 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 21.43 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 23.61 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 57.75 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 93.1 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.483 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 30.12 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 22.88 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 30.01 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 14.44 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 9.47 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 20.02 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.619 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 111.933 0.346 . . . . 99.99 111.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 95.56 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 94.48 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 73.2 113.331 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 48.9 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 94.19 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 55.88 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.619 HD21 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 21.71 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 15.39 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 9.95 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 20.66 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 7.34 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.59 HH12 HD12 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 15.45 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 4.41 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 7.34 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 7.28 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 4.96 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.649 ' SD ' HG21 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 48.88 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 26.6 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 17.97 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 8.38 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 20.1 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 13.71 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 20.05 112.39 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 56.76 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 62.97 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 56.46 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 77.42 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.116 -0.327 . . . . 93.55 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.72 HG12 HG21 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 40.88 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 85.25 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.411 HH21 HG23 ' A' ' 122' ' ' THR . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 95.33 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 13.6 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 23.1 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 6.51 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 19.94 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 5.14 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 19.25 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 9.84 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 18.09 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 49.39 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 98.87 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 72.1 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.518 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 96.73 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.73 HD23 HD21 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 67.27 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 66.97 110.439 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 35.64 109.887 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 74.75 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 43.74 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 89.61 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 85.91 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 76.71 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 98.07 107.776 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.475 HG21 HD12 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 57.34 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 21.57 108.829 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.73 HD21 HD23 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 62.33 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 95.32 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 14.84 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 28.15 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.753 HG21 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 18.14 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 24.35 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 26.44 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 56.64 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.517 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 62.67 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 81.37 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 33.32 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 25.99 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 18.76 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 16.93 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 12.76 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.634 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 8.91 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 33.15 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 11.78 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 39.34 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.494 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 63.88 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 82.93 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.577 HD13 HD22 ' B' ' 98' ' ' LEU . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 98.2 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.577 HD22 HD13 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 71.23 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 59.87 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 71.19 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 50.37 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 36.29 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 87.59 112.468 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.72 HG21 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 37.19 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 13.07 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 10.37 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 12.29 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 8.75 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 59.14 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 13.3 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.753 HG21 HG21 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 9.86 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 13.13 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.02 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.442 ' HE1' HD12 ' B' ' 21' ' ' ILE . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 26.78 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 13.3 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 29.79 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 23.15 112.267 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 23.84 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.545 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 29.89 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 72.13 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 73.04 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 90.81 110.557 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 43.15 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 61.27 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.57 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.6 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 56.3 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 93.16 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.449 HH11 HG21 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 11.74 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 6.91 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 21.95 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 5.12 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 9.28 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.441 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 8.82 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 12.04 106.91 166.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 30.41 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.562 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 48.75 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 55.24 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 88.6 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 68.93 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 87.15 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 94.05 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 71.87 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 62.96 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 35.73 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 56.22 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 43.42 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 94.06 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 81.86 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD11 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 29.6 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 20.9 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 69.19 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 14.53 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.42 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 17.7 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 29.53 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 32.22 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 59.66 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 71' ' ' GLU . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 97.29 109.464 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 76.35 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 37.0 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 34.06 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 39.96 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 16.54 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' C' ' 114' ' ' ILE . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' C' ' 110' ' ' ALA . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 9.25 108.804 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 25.23 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 10.6 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.497 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' C' ' 51' ' ' LEU . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 30.38 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.724 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.125 0.417 . . . . 99.99 112.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 68.51 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 56.52 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 56.59 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 39.21 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.59 HD12 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 8.71 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.497 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 37.06 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 16.74 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 9.85 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 5.88 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 7.64 111.422 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 20.64 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 13.9 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 8.58 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 8.54 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 6.56 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.557 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 5.22 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 28.53 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 17.6 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.407 HH12 ' HG2' ' D' ' 112' ' ' GLU . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 15.17 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.441 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 24.81 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 29.42 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.545 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 59.85 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 41.85 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 38.57 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 24.62 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 24.48 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 68.05 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 CA--C 1.546 0.79 0 CA-C-O 120.388 0.137 . . . . 99.99 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 76.43 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 79.46 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 53.22 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' D' ' 19' ' ' LYS . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 19.87 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 8.43 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 36.9 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.557 HG21 ' HE2' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 4.02 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 7.64 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 5.08 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 7.19 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 13.41 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 12.01 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 20.55 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 22.26 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 34.6 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 31.63 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 49.29 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 31.29 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 52.79 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 41' ' ' LYS . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.672 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 74.77 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 66.01 109.757 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 77.52 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 38.8 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 48.36 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 52.73 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.71 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 82.32 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 96.95 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 82.8 105.352 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 44.56 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 19.48 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' D' ' 103' ' ' PRO . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 52.2 108.618 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.672 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 9.25 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 10.79 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 9.72 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 19.36 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 11.33 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.516 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 29.87 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 24.97 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 27.84 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 11.35 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.516 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 10.67 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 7.73 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 11.05 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.434 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' VAL . . . . . 0.412 HG22 HG23 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 5.05 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 21.68 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' D' ' 106' ' ' LEU . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.29 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 43.57 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 77.58 109.649 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.424 HG12 HD21 ' D' ' 98' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 88.57 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.499 HG12 ' HG3' ' D' ' 94' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.499 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 88.9 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 96' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 95.17 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.628 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 66.02 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 54.11 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 101' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 40.76 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 34.31 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.428 ' HB3' HD13 ' D' ' 60' ' ' LEU . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 28.69 113.448 169.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 61.29 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 19.65 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 13.09 112.039 -173.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 10.47 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 6.22 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 10.48 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 4.16 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' D' ' 128' ' ' LEU . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 10.22 111.206 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 112' ' ' GLU . . . . . 0.407 ' HG2' HH12 ' C' ' 120' ' ' ARG . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.39 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.54 HD12 HD11 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 5.37 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 7.06 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 6.71 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 5.08 111.775 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 5.65 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 10.21 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 6.99 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 122' ' ' THR . . . . . 0.449 HG21 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 18.26 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 20.06 112.219 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 16.85 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 14.84 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 76.73 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.54 HD11 HD12 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 20.32 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 28.37 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 32.68 112.307 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 69.78 111.412 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 CA--C 1.551 0.996 0 CA-C-O 121.269 0.557 . . . . 99.99 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' HD12 ' A' ' 83' ' ' ILE . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 87.02 109.42 -168.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 27.8 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.63 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 12.57 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 37.56 110.001 171.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 5.43 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 6.92 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 5.61 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 12.68 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 32.78 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.792 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 57.34 112.639 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 48.36 109.319 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 97.85 110.095 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 131' ' ' VAL . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 43.33 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 41.53 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 88.8 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 73.87 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.71 ' HB2' HD11 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.04 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 54.22 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 29.36 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 19.86 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 13.6 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 17.22 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.714 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 14.92 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 21.43 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 23.61 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 57.75 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 93.1 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 30.12 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 22.88 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 30.01 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 14.44 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.714 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 9.47 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 20.02 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HD3' ' A' ' 15' ' ' ARG . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 66.87 108.421 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.562 0.578 . . . . 99.99 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 95.56 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 94.48 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 73.2 114.629 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 48.9 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 94.19 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 55.88 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 21.71 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 15.39 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 9.95 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 20.66 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 7.34 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 15.45 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 4.41 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 7.34 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 7.28 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 4.96 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 48.88 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 26.6 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 17.97 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 8.38 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.535 HG22 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 20.1 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 13.71 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 20.05 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 56.76 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.435 HD22 HD12 ' C' ' 16' ' ' ILE . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.536 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 62.97 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 56.46 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 77.42 111.358 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 44' ' ' LEU . 3.8 p . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.737 -0.468 . . . . 93.55 109.737 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.551 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 40.88 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 85.25 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.535 HH21 HG22 ' A' ' 122' ' ' THR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 95.33 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 13.6 107.87 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 23.1 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.589 HG21 HD11 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 6.51 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 19.94 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.589 HD11 HG21 ' B' ' 18' ' ' THR . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 5.14 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 19.25 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 9.84 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 18.09 107.9 170.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 22.2 m120 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 49.39 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 27' ' ' ASN . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 98.87 110.897 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 72.1 110.008 -176.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.626 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 96.73 111.092 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 67.27 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 66.97 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 35.64 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 74.75 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 43.74 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 89.61 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 85.91 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 76.71 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 98.07 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD11 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.517 HG11 HD22 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 57.34 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 21.57 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 62.33 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 95.32 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 14.84 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 28.15 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 18.14 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.626 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 24.35 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 26.44 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.538 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 56.64 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 62.67 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 81.37 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 33.32 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.538 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 25.99 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 18.76 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 16.93 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 12.76 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' B' ' 113' ' ' CYS . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 8.91 108.475 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 33.15 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 11.78 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 39.34 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 63.88 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 82.93 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 98.2 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.58 HD12 ' SD ' ' B' ' 94' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.58 ' SD ' HD12 ' B' ' 89' ' ' ILE . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.544 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.517 HD22 HG11 ' B' ' 58' ' ' VAL . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 71.23 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 59.87 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 71.19 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 50.37 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 36.29 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 87.59 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 37.19 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 13.07 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 10.37 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 12.29 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 8.75 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 59.14 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 117' ' ' MET . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 13.3 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.559 HG21 HG21 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 9.86 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 13.13 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.02 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 26.78 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 13.3 110.288 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 29.79 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.437 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 17' ' ' TYR . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 23.15 111.917 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 23.84 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 29.89 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 73.04 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 90.81 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 43.15 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.643 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 61.27 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.57 110.115 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 . . . . . 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 56.3 108.731 174.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 93.16 111.977 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ILE . . . . . 0.435 HD12 HD22 ' A' ' 127' ' ' ASN . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 11.74 109.331 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.469 HG21 ' SG ' ' C' ' 113' ' ' CYS . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 6.91 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 21.95 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 5.12 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 9.28 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 8.82 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 12.04 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 30.41 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 48.75 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.466 HG23 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 55.24 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.772 ' HB2' ' HZ2' ' C' ' 34' ' ' LYS . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 88.6 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 68.93 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 87.15 109.71 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.644 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 94.05 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.616 HD21 HD11 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 71.87 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 62.96 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 35.73 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 56.22 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 43.42 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 94.06 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 81.86 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.637 ' HB2' HD11 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 29.6 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 20.9 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.616 HD11 HD21 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 69.19 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 14.53 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.42 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 17.7 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.644 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 29.53 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 32.22 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 59.66 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 97.29 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 76.35 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 37.0 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 34.06 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 39.96 110.586 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 16.54 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' C' ' 113' ' ' CYS . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 9.25 109.827 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.7 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 25.23 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 61.4 tp60 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 10.6 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 30.38 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 86' ' ' ILE . . . . . 0.616 HD12 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.616 ' SG ' HD12 ' C' ' 86' ' ' ILE . 52.4 t . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.057 0.456 . . . . 99.99 111.676 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 68.51 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 56.52 110.306 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 56.59 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 39.21 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' C' ' 105' ' ' ILE . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 8.71 111.862 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 37.06 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 16.74 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 9.85 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 5.88 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 7.64 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 20.64 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.437 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' C' ' 18' ' ' THR . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 13.9 112.862 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.459 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 8.58 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 8.54 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 6.56 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.472 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 5.22 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 28.53 109.891 173.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 17.6 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 15.17 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.436 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 24.81 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 29.42 110.935 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 59.85 107.327 168.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 41.85 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 38.57 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 24.62 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 24.48 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 68.05 109.128 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 10' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' D' ' 85' ' ' SER . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 76.43 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.437 HD13 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 79.46 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 53.22 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.665 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 19.87 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 8.43 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 36.9 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 4.02 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 7.64 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 5.08 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 7.19 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 13.41 112.543 -170.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 12.01 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 20.55 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 22.26 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 34.6 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 31.63 109.663 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 49.29 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 31.29 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 52.79 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.474 HD11 HG13 ' D' ' 62' ' ' VAL . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 74.77 109.555 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 66.01 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 77.52 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 38.8 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 48.36 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 52.73 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.71 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 82.32 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 96.95 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 82.8 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 57' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 44.56 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.476 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 19.48 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 52.2 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.474 HG13 HD11 ' D' ' 42' ' ' LEU . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 9.25 107.424 167.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 10.79 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 9.72 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 19.36 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 11.33 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.573 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 29.87 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 24.97 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 27.84 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 11.35 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.573 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 10.67 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 7.73 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 11.05 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 5.05 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 21.68 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 63.6 tp60 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.29 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 43.57 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.526 ' HA ' HG22 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 77.58 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.45 ' N ' HD13 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 88.57 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 90' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 91' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 88.9 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 95.17 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 66.02 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 100' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 54.11 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 40.76 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' D' ' 11' ' ' PHE . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 34.31 114.1 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 28.69 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 61.29 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.437 HG21 HD13 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 19.65 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 13.09 111.746 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 10.47 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 6.22 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 10.48 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 4.16 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 10.22 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.39 111.262 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.429 ' O ' HG23 ' D' ' 118' ' ' VAL . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 5.37 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 7.06 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 6.71 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 5.08 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 5.65 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 10.21 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 6.99 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 18.26 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 20.06 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 16.85 111.458 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 14.84 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 76.73 109.587 -175.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 20.32 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 28.37 110.692 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 32.68 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 69.78 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.437 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.037 0.446 . . . . 99.99 110.603 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' C' ' 129' ' ' ALA . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.011 0.434 . . . . 99.99 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 105' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 87.02 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 HG21 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 27.8 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.419 HG21 ' SG ' ' A' ' 113' ' ' CYS . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 12.57 109.416 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 37.56 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 5.43 106.668 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 6.92 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 5.61 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 12.68 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 32.78 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 57.34 113.608 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 48.36 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 97.85 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.735 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 43.33 109.708 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 41.53 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 88.8 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 73.87 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 57' ' ' GLU . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 51' ' ' LEU . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.04 109.918 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 54.22 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 29.36 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 19.86 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.831 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 13.6 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 17.22 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 14.92 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 21.43 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 23.61 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 57.75 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 93.1 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 30.12 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 22.88 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 30.01 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 76' ' ' CYS . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 14.44 108.455 171.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.684 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 9.47 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 20.02 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HD3' ' A' ' 15' ' ' ARG . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 66.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.378 0.133 . . . . 99.99 111.225 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 95.56 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 94.48 111.813 -175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 73.2 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 48.9 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 94.19 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 13' ' ' ILE . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 55.88 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 21.71 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 15.39 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 9.95 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 20.66 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 7.34 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 15.45 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 18' ' ' THR . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 4.41 111.322 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 7.34 109.863 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.518 HG21 ' HE2' ' C' ' 109' ' ' TYR . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 7.28 111.882 -175.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 4.96 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 48.88 112.733 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 26.6 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 17.97 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.469 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 8.38 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.419 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 20.1 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 13.71 109.09 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 20.05 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.421 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 56.76 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 62.97 113.009 -164.124 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 56.46 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.537 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 77.42 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.891 -0.041 . . . . 93.55 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.45 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 9.9 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 40.88 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 85.25 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 95.33 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 13.6 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 23.1 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.419 ' H ' ' HA2' ' A' ' 121' ' ' GLY . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 6.51 110.122 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 19.94 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 5.14 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 19.25 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 9.84 107.242 167.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.66 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 18.09 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' B' ' 71' ' ' GLU . 26.2 m120 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 49.39 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.414 HG12 ' O ' ' B' ' 28' ' ' ALA . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 98.87 111.276 -174.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 72.1 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.515 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 96.73 110.86 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 67.27 109.247 172.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 66.97 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 35.64 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 74.75 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 43.74 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 89.61 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 85.91 110.481 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 76.71 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 98.07 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.813 HG11 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 57.34 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 21.57 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 62.33 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.75 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 95.32 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 14.84 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 28.15 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 18.14 109.207 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 24.35 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 26.44 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.53 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 56.64 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 62.67 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 81.37 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.421 ' HB2' ' OD1' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 33.32 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.53 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 25.99 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 18.76 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 16.93 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 12.76 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' B' ' 113' ' ' CYS . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 8.91 110.229 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 33.15 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 11.78 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 39.34 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 63.88 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.45 ' OG ' ' HG2' ' B' ' 12' ' ' GLN . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 82.93 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 98.2 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' B' ' 94' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.615 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.813 ' HB2' HG11 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 71.23 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 59.87 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 71.19 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.463 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 50.37 111.855 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 36.29 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 87.59 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 105' ' ' ILE . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 37.19 109.505 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 13.07 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 10.37 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 12.29 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 8.75 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 59.14 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 117' ' ' MET . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 13.3 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.561 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 9.86 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 13.13 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.02 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 26.78 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 13.3 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 29.79 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 23.15 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 23.84 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 29.89 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.665 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 72.13 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 73.04 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 90.81 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 43.15 110.082 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 61.27 111.078 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.57 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.238 0.459 0 N-CA-C 108.082 -1.081 . . . . 99.99 108.082 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.53 HG13 ' HD2' ' C' ' 84' ' ' PHE . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 56.3 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 93.16 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 11.74 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.56 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 6.91 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 21.95 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.792 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 5.12 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 9.28 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 8.82 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 12.04 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 30.41 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.676 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 48.75 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 55.24 113.413 -172.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.419 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 88.6 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 68.93 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 87.15 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.51 HD22 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 94.05 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 71.87 109.796 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 62.96 111.136 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 35.73 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 56.22 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 43.42 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 94.06 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 81.86 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.554 ' HB3' ' HB2' ' C' ' 49' ' ' SER . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.43 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 29.6 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 20.9 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 69.19 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 14.53 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.42 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.525 HG21 HG21 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 17.7 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 29.53 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 32.22 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 59.66 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 97.29 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 76.35 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 37.0 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 34.06 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 39.96 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.434 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 16.54 106.633 -175.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 9.25 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 25.23 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.441 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 66.1 tp60 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 10.6 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.56 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 30.38 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 109.707 -0.479 . . . . 99.99 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 68.51 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 56.52 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 56.59 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 39.21 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 8.71 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 37.06 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 16.74 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 9.85 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.518 ' HE2' HG21 ' A' ' 115' ' ' THR . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 5.88 110.941 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 7.64 110.489 174.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 20.64 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.456 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 13.9 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.525 HG21 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 8.58 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 8.54 112.0 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 6.56 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.576 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 5.22 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 28.53 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 17.6 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 15.17 113.164 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 24.81 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 29.42 111.911 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' B' ' 125' ' ' GLN . 53.4 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 59.85 107.702 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 41.85 106.909 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 38.57 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 24.62 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 24.48 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 68.05 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.69 0 CA-C-O 120.783 0.325 . . . . 99.99 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.532 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 76.43 108.519 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.4 HG12 ' HD2' ' D' ' 84' ' ' PHE . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 79.46 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' ARG . . . . . 0.419 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 53.22 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.676 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 19.87 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 8.43 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 36.9 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 4.02 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 7.64 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 5.08 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 7.19 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 13.41 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 12.01 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 20.55 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 22.26 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 34.6 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 31.63 109.61 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 49.29 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 31.29 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 52.79 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 74.77 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 66.01 109.538 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 77.52 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 38.8 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 48.36 111.486 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 52.73 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.71 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 82.32 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 96.95 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 82.8 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 44.56 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.533 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 19.48 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 52.2 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 9.25 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 10.79 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 9.72 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 19.36 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 11.33 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.558 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 29.87 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 24.97 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 27.84 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 11.35 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 10.67 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 7.73 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 11.05 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.642 ' SG ' HG23 ' D' ' 114' ' ' ILE . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 5.05 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.643 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 34.7 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 21.68 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.459 ' O ' HD13 ' D' ' 106' ' ' LEU . 64.2 tp60 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.29 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 43.57 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 84' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 77.58 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.506 HG12 HD11 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 88.57 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.506 HD11 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.461 ' HA ' HD12 ' D' ' 89' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 88.9 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 95.17 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 66.02 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 100' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 54.11 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 40.76 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 34.31 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 28.69 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 61.29 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 19.65 109.78 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 80' ' ' GLN . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 13.09 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 10.47 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 6.22 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 10.48 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 110' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 4.16 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 10.22 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 113' ' ' CYS . . . . . 0.422 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.39 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.642 HG23 ' SG ' ' D' ' 76' ' ' CYS . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 5.37 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 7.06 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 6.71 110.494 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 5.08 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' D' ' 123' ' ' PHE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 5.65 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 10.21 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.456 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 6.99 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 18.26 112.162 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 123' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' D' ' 118' ' ' VAL . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 20.06 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 16.85 111.627 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 14.84 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 76.73 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 20.32 111.66 -168.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 28.37 110.702 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 32.68 113.506 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 69.78 110.396 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 134' ' ' ASP . . . . . 0.637 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.51 ' HE3' HD22 ' C' ' 42' ' ' LEU . 72.9 t-105 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.877 -0.416 . . . . 99.99 109.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 110.036 -0.357 . . . . 99.99 110.036 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 87.02 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 27.8 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 12.57 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 37.56 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 5.43 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 6.92 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 5.61 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 12.68 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 32.78 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.709 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 m-20 -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HG2' HG23 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 3.4 m80 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' NZ ' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 57.34 112.933 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 48.36 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 97.85 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.706 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 43.33 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 41.53 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 88.8 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 73.87 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.04 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 54.22 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 29.36 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 19.86 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 13.6 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 17.22 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 14.92 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 21.43 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 23.61 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 57.75 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.634 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 93.1 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 30.12 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 22.88 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 30.01 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 14.44 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 9.47 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.747 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 20.02 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 66.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' O ' HG21 ' A' ' 46' ' ' THR . 6.7 mp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.449 -0.204 . . . . 99.99 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 95.56 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 94.48 112.086 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.648 ' HB3' HG21 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 73.2 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 48.9 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 94.19 111.921 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 55.88 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 21.71 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 15.39 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 9.95 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 20.66 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 7.34 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.56 HH12 HD12 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 15.45 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 4.41 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.484 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 7.34 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 7.28 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 4.96 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 48.88 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 26.6 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 17.97 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 8.38 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.467 HG21 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 20.1 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 13.71 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 20.05 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 56.76 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 62.97 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 56.46 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 77.42 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.528 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 93.55 108.506 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.462 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.408 HD11 HD13 ' B' ' 105' ' ' ILE . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 40.88 107.624 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 85.25 111.097 -174.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.467 ' HE ' HG21 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 95.33 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 13.6 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 23.1 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 6.51 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 19.94 111.878 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 5.14 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 19.25 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 9.84 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 18.09 107.757 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.45 ' O ' HG13 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 49.39 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.45 HG13 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.607 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 98.87 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 72.1 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 96.73 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.598 HD23 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 67.27 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.684 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 66.97 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 35.64 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 74.75 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 43.74 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 89.61 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 85.91 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 76.71 108.143 175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 98.07 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 57.34 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.432 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 21.57 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.598 HD21 HD23 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 62.33 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.684 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 95.32 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 14.84 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 28.15 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 18.14 110.067 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 24.35 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 26.44 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 56.64 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 62.67 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 81.37 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 33.32 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 25.99 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 18.76 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 16.93 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 12.76 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' B' ' 110' ' ' ALA . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 8.91 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.53 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 33.15 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.591 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 11.78 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 39.34 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 63.88 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 82.93 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 98.2 110.329 -169.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.459 ' HE1' HD11 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 71.23 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLY . . . . . 0.405 ' N ' HD12 ' B' ' 98' ' ' LEU . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 59.87 112.553 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 71.19 111.967 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 50.37 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 36.29 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 87.59 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.482 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 37.19 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 13.07 111.919 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.508 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 10.37 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 12.29 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 8.75 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 59.14 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 13.3 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.663 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 9.86 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 13.13 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.02 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 26.78 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 13.3 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 29.79 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 23.15 112.813 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 23.84 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 29.89 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.611 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.429 HD11 HG11 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 72.13 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 73.04 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.62 HD11 HD12 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 90.81 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 43.15 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 61.27 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.57 111.221 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' C' ' 84' ' ' PHE . 6.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 56.3 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.658 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 93.16 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ILE . . . . . 0.424 HG23 HD22 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 11.74 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 6.91 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 21.95 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 5.12 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 9.28 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 8.82 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 12.04 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 30.41 111.537 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 48.75 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 55.24 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 88.6 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 68.93 110.09 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 87.15 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.401 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 94.05 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.684 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 71.87 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 62.96 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 35.73 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 56.22 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 43.42 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.604 HD11 HD12 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 94.06 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 81.86 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 29.6 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 20.9 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.544 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 69.19 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 14.53 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.684 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.42 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.558 HG23 HD13 ' C' ' 114' ' ' ILE . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 17.7 108.115 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 29.53 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 32.22 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 59.66 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.58 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 97.29 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 76.35 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 37.0 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 34.06 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 39.96 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.449 HD23 HG23 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 16.54 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.554 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 9.25 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 25.23 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 10.6 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 30.38 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.981 0.42 . . . . 99.99 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 68.51 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 56.52 110.796 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 56.59 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 39.21 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 104' ' ' ASN . . . . . 0.621 HD21 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.56 HD12 HH12 ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 8.71 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.544 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 37.06 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 16.74 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 9.85 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 5.88 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 7.64 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 20.64 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 13.9 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.558 HD13 HG23 ' C' ' 64' ' ' VAL . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 8.58 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 8.54 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 6.56 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.486 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 5.22 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 28.53 109.652 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 17.6 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 15.17 112.608 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 24.81 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 124' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 29.42 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.488 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 59.85 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 41.85 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 38.57 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 24.62 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 24.48 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 68.05 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 133' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' C' ' 104' ' ' ASN . 44.5 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.403 -0.962 . . . . 99.99 108.403 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.419 ' HD2' HG22 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 76.43 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.678 HD13 HG21 ' D' ' 105' ' ' ILE . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 79.46 110.888 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.519 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 53.22 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.468 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 19.87 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 8.43 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 36.9 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.486 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 4.02 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 7.64 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.612 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 5.08 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 7.19 108.433 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 13.41 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.404 ' O ' HG22 ' D' ' 31' ' ' VAL . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 12.01 113.745 -170.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 20.55 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 22.26 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 27' ' ' ASN . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 34.6 113.187 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 31.63 109.575 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 49.29 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.404 ' O ' HG13 ' D' ' 40' ' ' VAL . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 31.29 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 52.79 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 74.77 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.518 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 66.01 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 77.52 109.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 38.8 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 48.36 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 52.73 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.71 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 82.32 108.766 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 96.95 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 82.8 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 44.56 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 19.48 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 52.2 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 9.25 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 10.79 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 9.72 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 19.36 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.501 ' HB2' HG12 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 11.33 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.497 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 29.87 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 24.97 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 27.84 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 11.35 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.497 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 10.67 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 7.73 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 11.05 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 5.05 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 21.68 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.29 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 82' ' ' GLY . . . . . 0.459 ' HA3' HG22 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 43.57 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 77.58 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.419 HG22 ' HD2' ' D' ' 11' ' ' PHE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 88.57 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.545 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 88.9 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 95.17 111.962 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.635 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 66.02 113.885 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 100' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 54.11 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 40.76 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 34.31 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 28.69 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 61.29 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.678 HG21 HD13 ' D' ' 13' ' ' ILE . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 19.65 110.978 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 13.09 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 10.47 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 6.22 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 10.48 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 110' ' ' ALA . . . . . 0.415 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 4.16 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 10.22 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.39 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 5.37 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 7.06 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 6.71 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' D' ' 23' ' ' PHE . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 5.08 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.5 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 5.65 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 10.21 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 6.99 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 18.26 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 20.06 113.083 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 16.85 111.819 -172.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 14.84 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 76.73 108.679 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.524 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 20.32 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 28.37 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.461 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 32.68 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 69.78 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 134' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 . . . . . 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.621 0.724 . . . . 99.99 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.464 ' N ' HD13 ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 87.02 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 27.8 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 12.57 107.845 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 37.56 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 5.43 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 6.92 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 5.61 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 12.68 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 32.78 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 57.34 111.582 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 65' ' ' THR . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 48.36 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 97.85 107.699 -173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 43.33 109.829 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 41.53 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 88.8 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 73.87 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.619 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.04 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 54.22 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 29.36 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 19.86 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 13.6 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 17.22 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 14.92 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 21.43 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 23.61 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 57.75 109.96 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 93.1 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 30.12 111.331 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 22.88 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 30.01 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 14.44 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 9.47 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.658 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 20.02 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 66.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 95.56 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 94.48 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 73.2 112.132 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 48.9 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 94.19 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 55.88 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 21.71 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 15.39 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 9.95 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 20.66 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 7.34 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.537 HH12 HD12 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 15.45 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 4.41 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 7.34 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 7.28 111.254 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 4.96 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 48.88 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 26.6 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 17.97 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 8.38 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.509 ' O ' HG22 ' A' ' 122' ' ' THR . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 121' ' ' GLY . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 20.1 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 13.71 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 20.05 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 56.76 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 62.97 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 56.46 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 77.42 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' B' ' 85' ' ' SER . 45.0 p90 . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 93.55 112.432 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 40.88 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 85.25 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.406 ' HE ' HG21 ' A' ' 122' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 95.33 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 13.6 108.092 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 23.1 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 6.51 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 19.94 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 5.14 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 19.25 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 9.84 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 18.09 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.495 ' O ' HG13 ' B' ' 31' ' ' VAL . 18.5 m120 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 49.39 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 98.87 110.553 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 72.1 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 62' ' ' VAL . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 96.73 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 67.27 108.689 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 66.97 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 35.64 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 74.75 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 43.74 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 89.61 109.307 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 57' ' ' GLU . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 85.91 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.438 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 76.71 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 98.07 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 57.34 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 21.57 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 62.33 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.469 ' HD2' HE21 ' B' ' 79' ' ' GLN . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 95.32 109.389 -178.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 14.84 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 28.15 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 18.14 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 24.35 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 26.44 110.412 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.539 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 56.64 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 62.67 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 81.37 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 33.32 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.539 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 25.99 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 18.76 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 16.93 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 12.76 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 8.91 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.469 HE21 ' HD2' ' B' ' 61' ' ' ARG . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 33.15 107.526 166.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.531 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 11.78 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 39.34 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.501 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 63.88 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 82.93 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.684 ' H ' HD13 ' B' ' 86' ' ' ILE . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 98.2 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.691 ' HA ' HD12 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 71.23 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 59.87 111.971 172.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 71.19 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 50.37 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 36.29 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 87.59 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 37.19 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 13.07 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 10.37 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 12.29 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 8.75 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' B' ' 128' ' ' LEU . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 59.14 110.928 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 13.3 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 9.86 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 13.13 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.02 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 26.78 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 13.3 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 29.79 113.127 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.477 ' HA ' ' ND2' ' C' ' 127' ' ' ASN . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 23.15 112.195 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 23.84 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 29.89 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 72.13 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 73.04 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.443 ' H ' ' HG3' ' B' ' 111' ' ' ARG . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 90.81 111.903 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 43.15 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.538 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 61.27 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.57 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 109.233 -0.654 . . . . 99.99 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 56.3 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 93.16 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 11.74 107.512 168.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.516 HG22 HE22 ' C' ' 80' ' ' GLN . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 6.91 108.81 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 21.95 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 5.12 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 9.28 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 8.82 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 12.04 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 30.41 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 48.75 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 55.24 111.569 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.725 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 88.6 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 68.93 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 87.15 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.469 ' H ' HD23 ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 94.05 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 71.87 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 62.96 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 35.73 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 56.22 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 43.42 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.556 HD11 HD12 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 94.06 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 81.86 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' TYR . . . . . 0.45 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 29.6 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 20.9 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 69.19 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 14.53 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.42 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 17.7 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 29.53 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 32.22 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 59.66 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 97.29 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 76.35 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.725 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 37.0 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 34.06 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 39.96 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.459 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 16.54 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 9.25 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 25.23 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.516 HE22 HG22 ' C' ' 18' ' ' THR . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 10.6 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.463 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 51' ' ' LEU . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 30.38 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 86' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.554 0.216 . . . . 99.99 111.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 68.51 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 56.52 111.618 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.451 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 56.59 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 39.21 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.537 HD12 HH12 ' A' ' 111' ' ' ARG . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 8.71 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.463 HD21 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 37.06 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 16.74 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 9.85 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 5.88 110.358 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 7.64 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 20.64 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 13.9 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 8.58 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 115' ' ' THR . . . . . 0.501 HG23 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 8.54 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 6.56 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.539 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 5.22 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 28.53 110.308 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 17.6 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 15.17 112.505 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 24.81 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 29.42 111.295 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.501 ' HB2' HG23 ' C' ' 115' ' ' THR . 0.3 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.616 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 59.85 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' B' ' 122' ' ' THR . 83.5 m-20 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 41.85 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 38.57 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 24.62 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 24.48 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 131' ' ' VAL . . . . . 0.483 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 68.05 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.21 0.052 . . . . 99.99 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' D' ' 85' ' ' SER . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 76.43 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.573 HD13 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 79.46 112.345 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.538 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 53.22 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.716 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 19.87 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 8.43 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 36.9 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 4.02 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 7.64 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 5.08 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 7.19 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 13.41 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 12.01 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 20.55 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 22.26 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 34.6 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 31.63 108.237 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 49.29 109.364 171.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 31.29 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 52.79 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' D' ' 42' ' ' LEU . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 74.77 106.747 170.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 66.01 112.311 -163.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 77.52 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 38.8 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 48.36 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 52.73 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.71 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 82.32 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 96.95 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' D' ' 85' ' ' SER . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 82.8 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' D' ' 97' ' ' CYS . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.556 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 44.56 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 19.48 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 52.2 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 9.25 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 10.79 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 40' ' ' VAL . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 9.72 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 19.36 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 11.33 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 29.87 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.422 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 24.97 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 27.84 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 11.35 111.782 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.558 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 10.67 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 7.73 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 11.05 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 5.05 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 21.68 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.29 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 43.57 109.403 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.447 ' HA ' HG22 ' D' ' 55' ' ' VAL . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 77.58 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 88.57 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 88.9 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 97' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 95.17 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.556 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 66.02 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 54.11 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 40.76 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' D' ' 103' ' ' PRO . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 34.31 111.842 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 28.69 114.071 167.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 61.29 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.573 HG21 HD13 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 19.65 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 13.09 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 10.47 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 6.22 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 10.48 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 4.16 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 10.22 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.39 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.599 HG12 ' SG ' ' D' ' 76' ' ' CYS . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 5.37 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 115' ' ' THR . . . . . 0.521 HG21 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 7.06 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 6.71 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 5.08 111.662 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 5.65 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 10.21 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 6.99 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 18.26 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 20.06 112.21 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 16.85 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 14.84 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 76.73 109.836 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.539 HD11 HD12 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 20.32 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 28.37 111.407 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.411 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 32.68 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 69.78 110.291 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.616 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 120.965 0.412 . . . . 99.99 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.734 -0.469 . . . . 99.99 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 87.02 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 27.8 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 12.57 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 25' ' ' ALA . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 37.56 110.295 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 5.43 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 6.92 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 5.61 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 12.68 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 32.78 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 79.4 m80 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 57.34 115.304 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 48.36 109.714 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 97.85 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 43.33 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 41.53 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 88.8 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 73.87 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.04 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.663 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 54.22 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 29.36 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 19.86 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 13.6 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 17.22 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 14.92 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 21.43 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 23.61 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 57.75 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 93.1 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 30.12 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 22.88 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 30.01 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 14.44 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 9.47 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 20.02 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 66.87 107.949 173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.569 1.677 0 N-CA-C 114.599 1.333 . . . . 99.99 114.599 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 95.56 114.32 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 94.48 111.463 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 73.2 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.663 ' HD3' HG11 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 48.9 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 94.19 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 55.88 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.445 HD21 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 21.71 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 15.39 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 9.95 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 20.66 111.093 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 7.34 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.563 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 15.45 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' MET . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 4.41 111.012 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 7.34 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.4 HG21 ' HE2' ' C' ' 109' ' ' TYR . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 7.28 110.809 -177.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 4.96 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 48.88 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 26.6 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 17.97 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' B' ' 113' ' ' CYS . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 8.38 110.357 173.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.453 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 20.1 109.713 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 13.71 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 20.05 113.404 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 56.76 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.418 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 62.97 111.611 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 56.46 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.563 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 77.42 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.264 0.554 . . . . 93.55 112.21 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 40.88 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 85.25 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.453 HH21 ' HB ' ' A' ' 122' ' ' THR . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 95.33 111.052 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 13.6 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 23.1 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 6.51 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 19.94 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 5.14 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 19.25 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 9.84 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 18.09 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 49.39 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.934 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.596 HG12 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 98.87 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 72.1 112.134 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 96.73 110.109 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' B' ' 45' ' ' ASP . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 67.27 107.357 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.422 ' N ' HD23 ' B' ' 44' ' ' LEU . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 66.97 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 35.64 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 74.75 111.864 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 43.74 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 89.61 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 85.91 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 76.71 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 98.07 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 57.34 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 21.57 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 62.33 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.618 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 95.32 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 14.84 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.68 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 28.15 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 18.14 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 24.35 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 26.44 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 56.64 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 62.67 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 81.37 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 33.32 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 25.99 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 18.76 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 16.93 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 12.76 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 8.91 109.843 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.618 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 33.15 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 11.78 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 39.34 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 63.88 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 82.93 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 98.2 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 71.23 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 59.87 113.859 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 71.19 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.451 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 50.37 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 36.29 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 87.59 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 37.19 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 13.07 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 10.37 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 12.29 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 8.75 110.972 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.761 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 59.14 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 13.3 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.651 HG21 HG21 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 9.86 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 13.13 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.02 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 26.78 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 13.3 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' SER . . . . . 0.748 ' HB3' HE21 ' C' ' 125' ' ' GLN . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 29.79 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 23.15 112.813 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 23.84 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 29.89 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.576 ' HA ' HG11 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 72.13 106.849 165.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 73.04 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.761 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 90.81 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 43.15 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 61.27 111.965 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.57 108.686 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.595 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 56.3 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 93.16 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 11.74 107.72 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.486 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.461 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 6.91 107.695 169.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 21.95 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 5.12 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 9.28 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 8.82 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 12.04 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 30.41 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.505 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 48.75 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.65 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 55.24 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.65 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 88.6 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 68.93 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.503 HG21 HD11 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 87.15 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 94.05 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 71.87 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 62.96 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 35.73 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 56.22 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 43.42 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 94.06 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.577 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 81.86 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.631 ' HB2' HD11 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 29.6 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 20.9 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 69.19 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.649 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 14.53 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.42 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.523 HG21 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 17.7 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 29.53 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 32.22 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 59.66 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 97.29 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 76.35 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 37.0 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 34.06 109.248 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 39.96 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.435 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 16.54 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.435 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 9.25 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 25.23 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.538 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 10.6 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.527 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.494 HD12 HD11 ' C' ' 51' ' ' LEU . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 30.38 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.353 0.12 . . . . 99.99 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 68.51 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 56.52 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.606 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 56.59 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.43 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 39.21 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 8.71 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.527 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 37.06 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 16.74 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 9.85 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.4 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 5.88 110.959 -176.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 7.64 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.409 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 20.64 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' C' ' 18' ' ' THR . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 13.9 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.649 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 8.58 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 115' ' ' THR . . . . . 0.515 HG21 ' HB2' ' B' ' 119' ' ' SER . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 8.54 111.392 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 6.56 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.46 ' HE2' ' SD ' ' D' ' 117' ' ' MET . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 5.22 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 28.53 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 17.6 111.33 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.474 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 15.17 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' C' ' 124' ' ' PRO . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 24.81 109.566 173.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 124' ' ' PRO . . . . . 0.528 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 29.42 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.748 HE21 ' HB3' ' B' ' 119' ' ' SER . 11.8 mm100 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.503 HD11 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 59.85 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.409 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 41.85 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 38.57 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 24.62 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 24.48 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 68.05 108.964 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 133' ' ' PHE . . . . . 0.43 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 . . . . . 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 76.43 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.534 HD13 HG21 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 79.46 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 53.22 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 19.87 109.908 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 8.43 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 36.9 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.409 HD13 ' HE3' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 4.02 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 22' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 7.64 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 5.08 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 7.19 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 13.41 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.462 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 12.01 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 20.55 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 22.26 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 34.6 112.206 -169.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 31.63 110.303 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 49.29 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 31.29 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' GLU . . . . . 0.503 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.512 HG22 HD11 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 52.79 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.512 HD11 HG22 ' D' ' 40' ' ' VAL . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 74.77 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 66.01 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 77.52 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 38.8 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 48.36 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 52.73 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.71 109.545 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.617 ' H ' HD23 ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 82.32 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 96.95 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 82.8 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.612 HG13 HD11 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 44.56 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 19.48 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 52.2 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 9.25 108.656 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.402 ' HA ' ' HG3' ' D' ' 77' ' ' GLU . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 10.79 109.422 172.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.453 HG21 HD13 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 9.72 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 19.36 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 11.33 108.874 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 29.87 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 24.97 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 27.84 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 11.35 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 10.67 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 7.73 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 11.05 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.455 ' SG ' HG12 ' D' ' 114' ' ' ILE . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 77' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 5.05 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 21.68 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.29 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 43.57 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 77.58 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.486 HD13 ' H ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 88.57 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.514 ' HB2' HD13 ' D' ' 89' ' ' ILE . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.415 ' HB2' ' SD ' ' D' ' 94' ' ' MET . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 88.9 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 95.17 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 66.02 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 54.11 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 40.76 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 34.31 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.478 ' HB3' HD13 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 28.69 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 61.29 111.842 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.534 HG21 HD13 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 19.65 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.612 HD11 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 13.09 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 10.47 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 6.22 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 10.48 112.021 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 4.16 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.676 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 10.22 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.39 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.455 HG12 ' SG ' ' D' ' 76' ' ' CYS . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 5.37 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 7.06 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 6.71 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.46 ' SD ' ' HE2' ' C' ' 117' ' ' MET . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 5.08 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.417 HG23 ' O ' ' D' ' 114' ' ' ILE . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 5.65 110.163 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 10.21 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 6.99 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 18.26 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 20.06 112.881 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 16.85 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 14.84 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 76.73 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 20.32 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 28.37 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.676 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 32.68 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 69.78 108.119 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.741 0.305 . . . . 99.99 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.47 -0.196 . . . . 99.99 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 87.02 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 27.8 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 12.57 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 37.56 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 5.43 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 6.92 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 5.61 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 12.68 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 32.78 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 12.4 m80 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.757 HG13 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.691 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 67' ' ' SER . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 57.34 113.209 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 126' ' ' LEU . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 48.36 109.804 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 97.85 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.488 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 43.33 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 41.53 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 88.8 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 73.87 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.04 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.767 HG11 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 54.22 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 29.36 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 19.86 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 13.6 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 17.22 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 114' ' ' ILE . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 14.92 108.473 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 21.43 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 23.61 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 57.75 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 93.1 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 30.12 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 22.88 110.074 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 30.01 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 14.44 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 9.47 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 20.02 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 66.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 119.862 -0.113 . . . . 99.99 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 95.56 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 94.48 112.932 -169.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 73.2 112.979 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.767 ' HD3' HG11 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 48.9 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 94.19 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 55.88 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 21.71 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.596 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 15.39 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 9.95 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 20.66 111.077 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 7.34 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 15.45 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.517 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 4.41 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 HG21 ' A' ' 64' ' ' VAL . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 7.34 112.263 -173.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 7.28 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 4.96 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 48.88 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 26.6 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 17.97 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 8.38 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 20.1 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 13.71 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 20.05 111.925 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.523 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 56.76 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 62.97 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' HD13 ' A' ' 128' ' ' LEU . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 56.46 112.34 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 77.42 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 44' ' ' LEU . 42.1 t . . . . . 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 93.55 107.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 40.88 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 85.25 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 95.33 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 13.6 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 23.1 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 6.51 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 19.94 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 5.14 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 19.25 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 9.84 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.581 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 18.09 106.857 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 49.39 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.578 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 98.87 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 72.1 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 96.73 109.562 172.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 67.27 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 66.97 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 35.64 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 74.75 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 43.74 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 89.61 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 85.91 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 76.71 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.547 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 98.07 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.54 ' HB2' HD11 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 57.34 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 21.57 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 62.33 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 95.32 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 14.84 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 28.15 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.567 HG21 HG21 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 18.14 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 24.35 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 26.44 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 56.64 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.588 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 62.67 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 81.37 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 33.32 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 25.99 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 18.76 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 16.93 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 12.76 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 8.91 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 33.15 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 11.78 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 39.34 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 63.88 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 82.93 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 98.2 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.547 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG2' HD13 ' B' ' 98' ' ' LEU . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' B' ' 94' ' ' MET . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 71.23 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 59.87 114.238 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 71.19 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.403 ' O ' HG22 ' B' ' 105' ' ' ILE . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 50.37 112.185 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 36.29 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 87.59 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.403 HG22 ' O ' ' B' ' 102' ' ' CYS . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 37.19 110.403 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 13.07 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 10.37 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 12.29 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 8.75 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 59.14 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 13.3 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 9.86 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 13.13 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.02 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 26.78 109.54 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 13.3 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 29.79 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.517 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 23.15 111.607 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 23.84 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 29.89 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 72.13 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 73.04 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 90.81 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 43.15 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 61.27 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.57 109.574 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.333 -0.618 . . . . 99.99 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.47 ' H ' HD12 ' C' ' 13' ' ' ILE . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 56.3 106.934 173.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 93.16 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 11.74 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' C' ' 19' ' ' LYS . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 6.91 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 21.95 108.515 170.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 5.12 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 9.28 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 8.82 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 12.04 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 30.41 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HZ1' ' D' ' 19' ' ' LYS . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 48.75 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 55.24 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 88.6 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 68.93 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.593 HG11 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 87.15 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 94.05 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 71.87 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 62.96 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 35.73 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 56.22 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 43.42 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 94.06 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 81.86 108.415 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 29.6 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 20.9 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.558 HD23 HD12 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 69.19 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 14.53 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.42 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.472 HG21 HD21 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 17.7 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.407 HG23 HD23 ' C' ' 75' ' ' LEU . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 29.53 109.683 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 32.22 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 59.66 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' C' ' 73' ' ' ALA . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 97.29 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 76.35 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 37.0 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' C' ' 68' ' ' LEU . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 34.06 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 39.96 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 16.54 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 9.25 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 25.23 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.536 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 63.4 tp60 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 10.6 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.435 HD12 HD11 ' C' ' 51' ' ' LEU . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 30.38 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 86' ' ' ILE . . . . . 0.48 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.48 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.224 0.083 . . . . 99.99 111.224 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 68.51 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 56.52 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 56.59 112.632 -174.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 39.21 113.893 171.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 8.71 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.558 HD12 HD23 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 37.06 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 16.74 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 9.85 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 5.88 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 7.64 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 20.64 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 13.9 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.566 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 8.58 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 8.54 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 6.56 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.527 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 5.22 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 28.53 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 17.6 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 15.17 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 24.81 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 29.42 112.518 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.593 HD11 HG11 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 59.85 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 41.85 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 38.57 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 24.62 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 24.48 113.332 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 68.05 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 10' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.51 ' HD2' HG22 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 76.43 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.535 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 79.46 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 53.22 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 19.87 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 8.43 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 36.9 110.843 175.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.527 HD12 ' HG3' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 4.02 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 7.64 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 5.08 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 7.19 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 13.41 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.694 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 12.01 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 20.55 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 22.26 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 34.6 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 31.63 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 49.29 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.5 ' HB2' ' HB1' ' D' ' 66' ' ' ALA . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 31.29 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 52.79 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 74.77 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 66.01 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 77.52 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 38.8 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 48.36 109.789 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 52.73 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.71 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 82.32 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 96.95 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 82.8 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.494 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 57' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 44.56 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 19.48 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 52.2 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 9.25 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.515 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 10.79 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 9.72 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 19.36 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 11.33 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 29.87 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 24.97 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 27.84 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 11.35 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 10.67 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 7.73 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 11.05 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 77' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 5.05 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 21.68 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.29 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 43.57 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 77.58 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 88.57 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 87' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 88.9 112.162 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 96' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 95.17 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.721 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 66.02 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 54.11 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 101' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 40.76 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 34.31 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 28.69 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 3.5 m-20 -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 61.29 111.003 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.535 HG21 HD13 ' D' ' 13' ' ' ILE . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 19.65 110.762 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 13.09 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 10.47 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 6.22 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 10.48 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 4.16 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.532 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 10.22 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.39 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.478 HG23 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 5.37 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 115' ' ' THR . . . . . 0.473 HG23 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 7.06 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 6.71 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 5.08 111.675 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 5.65 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 10.21 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 6.99 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 18.26 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 20.06 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 125' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 16.85 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 14.84 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 76.73 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.485 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 20.32 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 28.37 109.514 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.532 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 32.68 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 69.78 111.01 -168.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 87.02 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 27.8 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 83' ' ' ILE . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 12.57 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 37.56 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 5.43 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 6.92 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.544 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 5.61 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 12.68 109.158 171.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 32.78 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.589 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 57.34 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 48.36 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 97.85 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 98' ' ' LEU . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 43.33 108.95 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 41.53 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 88.8 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 73.87 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.04 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 54.22 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 29.36 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 19.86 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.621 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 13.6 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 17.22 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 14.92 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 21.43 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 23.61 106.928 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.62 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 57.75 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 93.1 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 30.12 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 22.88 110.56 177.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 30.01 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 14.44 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.544 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 9.47 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.621 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 20.02 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' A' ' 17' ' ' TYR . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 66.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 46' ' ' THR . 68.8 mt . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 111.774 0.287 . . . . 99.99 111.774 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 95.56 111.825 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 94.48 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 73.2 112.563 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 48.9 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 94.19 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 55.88 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD21 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 21.71 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 15.39 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 9.95 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 20.66 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 7.34 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 15.45 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 4.41 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 7.34 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.48 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 7.28 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 4.96 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 48.88 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 26.6 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 17.97 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 8.38 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 20.1 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 13.71 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 20.05 114.634 175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 64' ' ' VAL . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 56.76 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 128' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 62.97 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 56.46 111.632 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 77.42 112.908 -169.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 44' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.552 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 93.55 109.496 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.452 ' H ' HD12 ' B' ' 13' ' ' ILE . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 40.88 107.17 173.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 85.25 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 95.33 110.333 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 106' ' ' LEU . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 13.6 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 23.1 111.687 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.674 HG21 HD11 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 6.51 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 19.94 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.674 HD11 HG21 ' B' ' 18' ' ' THR . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 5.14 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 19.25 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 9.84 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 18.09 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 49.39 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 98.87 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 72.1 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 96.73 110.602 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 67.27 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 66.97 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 35.64 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 74.75 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 43.74 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 89.61 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 85.91 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 76.71 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 98.07 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.566 HG21 HD23 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 57.34 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 21.57 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 62.33 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 95.32 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 14.84 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 28.15 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 18.14 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 24.35 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 26.44 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 56.64 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 62.67 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 81.37 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 33.32 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 25.99 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 18.76 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 16.93 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 12.76 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 8.91 109.839 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 33.15 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 11.78 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 39.34 107.484 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.712 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 63.88 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 82.93 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 98.2 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' B' ' 98' ' ' LEU . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.566 HD23 HG21 ' B' ' 58' ' ' VAL . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 71.23 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 59.87 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 104' ' ' ASN . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 71.19 111.735 -174.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.552 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 50.37 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 36.29 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 100' ' ' ALA . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 87.59 112.044 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 37.19 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.472 HD22 HG23 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 13.07 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 10.37 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' TYR . . . . . 0.532 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 12.29 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 8.75 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 59.14 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 13.3 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 9.86 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' THR . . . . . 0.472 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 13.13 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.02 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.527 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 26.78 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 13.3 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 29.79 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 23.15 111.287 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 23.84 109.489 172.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 29.89 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.472 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 72.13 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 73.04 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 90.81 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 43.15 111.898 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 61.27 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.57 109.574 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.412 ' HB2' HG22 ' C' ' 86' ' ' ILE . 28.7 p90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 56.3 108.372 172.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 93.16 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 11.74 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' THR . . . . . 0.476 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 6.91 109.673 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 21.95 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 5.12 106.14 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 9.28 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 8.82 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 12.04 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 30.41 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.581 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 48.75 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.555 HG21 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 55.24 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.463 ' HD3' HD21 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 88.6 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 68.93 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 87.15 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 94.05 109.742 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.758 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 71.87 107.627 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 62.96 110.328 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 35.73 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 56.22 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 43.42 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.644 HD11 HD12 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 94.06 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 81.86 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.402 ' HB2' HD11 ' C' ' 51' ' ' LEU . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 29.6 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 20.9 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 69.19 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 14.53 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.758 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.42 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 17.7 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 29.53 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 32.22 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 59.66 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.486 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 97.29 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 76.35 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 37.0 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 34.06 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 39.96 111.953 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 16.54 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.424 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 9.25 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.794 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 46.7 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 25.23 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 10.6 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.644 HD12 HD11 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 30.38 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' ILE . . . . . 0.412 HG22 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 68.51 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 56.52 111.296 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 56.59 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.567 ' HB3' HD22 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 39.21 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 8.71 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 37.06 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 16.74 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 9.85 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.48 ' HE2' HG21 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 5.88 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 7.64 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 20.64 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' C' ' 18' ' ' THR . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 13.9 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.495 HG21 HG21 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 8.58 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 8.54 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 6.56 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.741 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 5.22 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 28.53 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 17.6 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 15.17 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 24.81 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 124' ' ' PRO . . . . . 0.467 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 29.42 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.54 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.459 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 59.85 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 41.85 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.592 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 38.57 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 24.62 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 24.48 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 68.05 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.235 0.341 0 N-CA-C 107.596 -1.261 . . . . 99.99 107.596 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 76.43 108.557 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 79.46 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.528 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 53.22 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.581 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 19.87 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 8.43 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.536 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 36.9 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.741 HG21 ' HE2' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 4.02 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 22' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 7.64 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 5.08 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 7.19 107.727 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 13.41 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 12.01 113.852 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 20.55 113.12 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 22.26 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' D' ' 73' ' ' ALA . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 34.6 113.399 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 31.63 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 49.29 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.427 ' O ' HG12 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 31.29 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.453 HG13 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 52.79 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 74.77 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.718 ' HB3' HG13 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 66.01 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 77.52 108.926 172.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 38.8 108.731 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.422 ' HB3' HG23 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 48.36 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 52.73 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.71 109.251 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 82.32 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 96.95 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 82.8 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' D' ' 98' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 44.56 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.657 HG13 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 19.48 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 52.2 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.718 HG13 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 9.25 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.561 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 10.79 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 9.72 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 19.36 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 11.33 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 29.87 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 24.97 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 27.84 112.256 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 11.35 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 10.67 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 7.73 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 11.05 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' D' ' 114' ' ' ILE . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 5.05 110.01 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HG3' HG13 ' D' ' 59' ' ' VAL . 33.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 21.68 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.457 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.29 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 43.57 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 77.58 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 88.57 109.963 -170.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 88.9 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 95.17 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 66.02 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 54.11 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 40.76 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 34.31 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 28.69 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 61.29 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 19.65 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 13.09 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 10.47 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 6.22 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 10.48 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 4.16 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 10.22 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 112' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 113' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.39 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.57 HG12 ' SG ' ' D' ' 76' ' ' CYS . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 5.37 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 7.06 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 6.71 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.461 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 5.08 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 5.65 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 10.21 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.472 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 6.99 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 18.26 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 20.06 110.926 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 16.85 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.453 HD13 HG13 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 14.84 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 76.73 109.565 168.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 20.32 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 28.37 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 32.68 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 69.78 110.444 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.459 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.094 -0.336 . . . . 99.99 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.406 HH21 ' HG1' ' B' ' 122' ' ' THR . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 87.02 110.684 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 27.8 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 12.57 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 37.56 109.733 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 5.43 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 6.92 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 5.61 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 12.68 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 32.78 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 57.34 112.064 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 48.36 108.729 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 97.85 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 43.33 109.185 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 41.53 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 88.8 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 73.87 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.04 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 54.22 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 29.36 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 19.86 107.571 175.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 13.6 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 17.22 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 14.92 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 21.43 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 23.61 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 57.75 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 93.1 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 30.12 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 22.88 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 30.01 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 14.44 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 9.47 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 20.02 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 66.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.443 0.164 . . . . 99.99 111.443 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 95.56 111.119 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 94.48 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 73.2 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 48.9 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 94.19 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 55.88 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 21.71 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 15.39 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 9.95 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 20.66 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 7.34 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.742 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 15.45 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 4.41 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 7.34 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 7.28 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 4.96 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 48.88 112.774 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.586 HG12 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 26.6 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 17.97 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 8.38 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.433 ' HB ' HH21 ' B' ' 15' ' ' ARG . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 20.1 109.98 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' HE1' HG11 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 13.71 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 20.05 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 56.76 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.434 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 62.97 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 56.46 112.276 -177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.742 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 77.42 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 . . . . . 0 C--O 1.244 0.786 0 N-CA-C 109.14 -0.689 . . . . 93.55 109.14 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.669 ' H ' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 40.88 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 85.25 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.433 HH21 ' HB ' ' A' ' 122' ' ' THR . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 95.33 110.171 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.541 ' HB ' HD21 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 13.6 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 23.1 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 6.51 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 19.94 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 5.14 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 19.25 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 9.84 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 18.09 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 49.39 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 98.87 110.678 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.468 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 72.1 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' B' ' 64' ' ' VAL . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 96.73 110.018 -170.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 67.27 109.254 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.676 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.439 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 66.97 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 35.64 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 74.75 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 43.74 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 89.61 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 85.91 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 76.71 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 98.07 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 57.34 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 21.57 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 62.33 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 95.32 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 14.84 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 28.15 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' B' ' 42' ' ' LEU . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 18.14 109.042 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 24.35 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 26.44 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.439 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 56.64 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 62.67 107.203 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 81.37 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 33.32 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.75 ' HA ' HG21 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 25.99 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 18.76 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 16.93 106.458 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 12.76 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' B' ' 113' ' ' CYS . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 8.91 109.076 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 33.15 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.544 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 11.78 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 39.34 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 63.88 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 82.93 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 98.2 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.792 HG21 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 71.23 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 59.87 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 71.19 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 105' ' ' ILE . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 50.37 113.268 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 36.29 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 87.59 111.0 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.506 HG21 HG21 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 37.19 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 13.07 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 10.37 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 12.29 110.449 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 8.75 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 59.14 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 13.3 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.526 HG23 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 9.86 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 13.13 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.02 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 26.78 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 13.3 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 29.79 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.406 ' HG1' HH21 ' A' ' 15' ' ' ARG . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 23.15 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 23.84 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 29.89 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.468 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 72.13 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 73.04 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 90.81 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 43.15 111.473 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 61.27 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.57 108.913 -174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.431 ' HE2' ' HD1' ' C' ' 101' ' ' TYR . 1.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.616 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 56.3 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 93.16 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 11.74 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.473 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 6.91 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 21.95 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 5.12 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 9.28 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 8.82 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 12.04 107.649 171.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 30.41 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.46 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 48.75 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.53 HG23 HD11 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 55.24 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.674 ' HG2' HD13 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 88.6 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 68.93 111.293 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 87.15 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 94.05 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.414 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 71.87 109.247 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 62.96 110.436 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 35.73 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 56.22 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 43.42 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 94.06 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 81.86 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 29.6 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 20.9 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.488 HD12 HG22 ' C' ' 62' ' ' VAL . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 69.19 108.09 176.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.488 HG22 HD12 ' C' ' 60' ' ' LEU . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 14.53 108.439 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.42 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 17.7 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 29.53 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 32.22 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 59.66 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 97.29 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 76.35 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 37.0 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 34.06 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 39.96 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.409 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 16.54 106.578 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.409 ' N ' HD13 ' C' ' 75' ' ' LEU . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 9.25 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 25.23 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 10.6 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.468 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.486 HD12 HD11 ' C' ' 51' ' ' LEU . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 30.38 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.438 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.66 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 68.51 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 56.52 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.431 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 56.59 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 39.21 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 8.71 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.468 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 37.06 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 16.74 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 9.85 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 5.88 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 7.64 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 20.64 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 13.9 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.461 HD13 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 8.58 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 8.54 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 6.56 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.58 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 5.22 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.446 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 28.53 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 119' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 17.6 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 15.17 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 24.81 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 29.42 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 59.85 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 41.85 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 38.57 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 24.62 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 24.48 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 68.05 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.244 0.775 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.515 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 76.43 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.569 HD13 HG21 ' D' ' 105' ' ' ILE . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 79.46 112.546 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.43 HD11 HG21 ' D' ' 13' ' ' ILE . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 53.22 107.498 170.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 19.87 111.194 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 8.43 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 36.9 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.58 HG21 ' HE2' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 4.02 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 22' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 77' ' ' GLU . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 7.64 109.151 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 5.08 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 7.19 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 13.41 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 12.01 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 20.55 112.959 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 22.26 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 34.6 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 31.63 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 49.29 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 31.29 111.173 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.461 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 52.79 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 74.77 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 66.01 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 77.52 108.605 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 38.8 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 48.36 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 52.73 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.71 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 82.32 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 96.95 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.441 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 82.8 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.548 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 44.56 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 19.48 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 52.2 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.407 HG11 HD13 ' D' ' 128' ' ' LEU . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 9.25 108.535 171.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 10.79 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 9.72 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 19.36 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 11.33 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 29.87 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.441 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 24.97 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 27.84 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 11.35 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 10.67 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 7.73 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 11.05 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.658 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 77' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 22' ' ' SER . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 5.05 110.01 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 46.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 21.68 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.29 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 43.57 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 77.58 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.485 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 88.57 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 28.6 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 88.9 111.566 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 96' ' ' HIS . . . . . 0.492 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 95.17 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.687 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 66.02 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 54.11 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 40.76 111.284 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.687 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 34.31 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 28.69 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 61.29 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.569 HG21 HD13 ' D' ' 13' ' ' ILE . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 19.65 110.298 172.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 13.09 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 10.47 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 6.22 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 10.48 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 4.16 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.485 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 10.22 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.39 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.658 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 5.37 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 7.06 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 6.71 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.422 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 5.08 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 5.65 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 10.21 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 6.99 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 18.26 111.65 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 123' ' ' PHE . . . . . 0.427 ' HB2' HG13 ' D' ' 118' ' ' VAL . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.414 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 20.06 112.928 175.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 16.85 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 14.84 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 127' ' ' ASN . . . . . 0.541 HD21 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 76.73 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.407 HD13 HG11 ' D' ' 62' ' ' VAL . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 20.32 110.989 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 28.37 111.142 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 32.68 110.818 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 69.78 110.026 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.579 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 121.148 0.499 . . . . 99.99 110.748 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.905 -0.406 . . . . 99.99 109.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.546 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.427 HH12 ' HA ' ' B' ' 29' ' ' PRO . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 87.02 110.823 -168.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 27.8 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 12.57 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 37.56 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 5.43 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 6.92 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 5.61 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 12.68 108.613 173.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 32.78 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 57.34 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 48.36 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 128' ' ' LEU . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 97.85 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 43.33 109.395 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 41.53 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 88.8 110.329 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 73.87 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.04 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 54.22 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 29.36 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 19.86 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG13 HD21 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 13.6 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 17.22 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.443 HG21 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 14.92 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 21.43 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 23.61 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 57.75 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 93.1 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 30.12 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 22.88 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 30.01 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' H ' ' A' ' 24' ' ' GLU . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 14.44 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 9.47 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 20.02 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 66.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.546 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 95.56 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 94.48 110.909 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 73.2 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 48.9 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 94.19 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 55.88 110.191 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 21.71 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 15.39 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 9.95 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 20.66 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 7.34 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 15.45 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 4.41 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 7.34 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 7.28 111.308 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 4.96 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 48.88 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 26.6 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 17.97 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.471 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 8.38 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.53 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 20.1 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 13.71 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 20.05 114.68 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 127' ' ' ASN . 5.7 tp-100 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 56.76 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 125' ' ' GLN . 35.4 m-80 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 62.97 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 56.46 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.534 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 77.42 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.046 0.451 . . . . 93.55 111.833 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.458 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 40.88 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 85.25 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 95.33 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 13.6 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 23.1 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.53 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 6.51 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 19.94 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.43 HD12 ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 5.14 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 19.25 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 9.84 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 18.09 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 49.39 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' B' ' 25' ' ' ALA . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.494 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 HD11 ' B' ' 68' ' ' LEU . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 98.87 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 72.1 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.598 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 96.73 112.024 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD21 ' B' ' 60' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 67.27 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 66.97 110.511 -173.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 35.64 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 74.75 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 43.74 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 89.61 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 85.91 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.462 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 76.71 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 98.07 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 57.34 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 21.57 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.542 HD21 HD23 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 62.33 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 95.32 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 14.84 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 28.15 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 18.14 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 24.35 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 26.44 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 56.64 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 62.67 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 81.37 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 33.32 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.71 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 25.99 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 18.76 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 16.93 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 12.76 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 8.91 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 33.15 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 11.78 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 39.34 106.251 168.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.458 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 63.88 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 82.93 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' B' ' 11' ' ' PHE . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 98.2 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 71.23 112.487 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 59.87 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 71.19 112.676 -166.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 50.37 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 36.29 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 87.59 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 37.19 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 13.07 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 10.37 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 12.29 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 8.75 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 59.14 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 13.3 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.521 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 9.86 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 13.13 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.02 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 26.78 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 13.3 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 29.79 111.769 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 23.15 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 23.84 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 29.89 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 72.13 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 73.04 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.591 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 90.81 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 43.15 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 61.27 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.57 110.852 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 109.006 -0.739 . . . . 99.99 109.006 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 56.3 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.702 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 93.16 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 11.74 107.438 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.554 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 6.91 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 21.95 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 5.12 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 9.28 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 8.82 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 12.04 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 30.41 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' C' ' 30' ' ' HIS . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' HIS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 27' ' ' ASN . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 48.75 112.49 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 55.24 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 88.6 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 68.93 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 87.15 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.589 HD21 HG22 ' C' ' 64' ' ' VAL . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 94.05 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.482 HD11 HD23 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 71.87 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 62.96 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 35.73 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 56.22 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 43.42 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.563 HD11 HD12 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 94.06 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 81.86 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 29.6 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' C' ' 57' ' ' GLU . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 20.9 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 69.19 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 14.53 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.42 109.816 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.6 HG21 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 17.7 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 29.53 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 32.22 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' SER . . . . . 0.441 ' HB2' HG23 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 59.66 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 97.29 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 76.35 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' THR . . . . . 0.441 HG23 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 37.0 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 34.06 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 39.96 110.049 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 16.54 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 9.25 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 25.23 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 81' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 10.6 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.563 HD12 HD11 ' C' ' 51' ' ' LEU . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 30.38 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.702 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.562 0.22 . . . . 99.99 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 68.51 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 56.52 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 56.59 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.405 ' HB3' HD21 ' C' ' 60' ' ' LEU . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 39.21 115.885 168.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 130' ' ' PRO . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 8.71 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' C' ' 82' ' ' GLY . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 37.06 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 16.74 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 9.85 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 5.88 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 7.64 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 20.64 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 13.9 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.6 HG21 HG21 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 8.58 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 8.54 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 6.56 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.411 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 5.22 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.497 HG21 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 28.53 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 17.6 110.328 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 15.17 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 24.81 110.091 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 29.42 113.3 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.497 ' H ' HG21 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 59.85 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 41.85 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.589 HD21 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 38.57 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 24.62 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 24.48 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 68.05 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.463 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 76.43 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.629 HD13 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 79.46 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 53.22 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 19.87 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 8.43 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 36.9 109.987 172.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.69 HG23 HG22 ' D' ' 78' ' ' VAL . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 4.02 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 7.64 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 5.08 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 7.19 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 13.41 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 12.01 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 20.55 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 22.26 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' D' ' 68' ' ' LEU . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 34.6 112.399 -174.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 31.63 109.242 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 49.29 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 31.29 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 52.79 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.49 HD11 HD22 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 74.77 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.667 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 66.01 109.579 -174.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 46' ' ' THR . . . . . 0.63 HG22 HD22 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 77.52 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 38.8 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 48.36 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 52.73 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.71 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 82.32 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 96.95 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.613 HG11 HG23 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 82.8 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 44.56 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 19.48 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 60' ' ' LEU . . . . . 0.63 HD22 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 52.2 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 9.25 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.667 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 10.79 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 9.72 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 19.36 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 11.33 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.514 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 29.87 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' D' ' 31' ' ' VAL . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 24.97 109.309 177.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 27.84 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 11.35 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.514 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 10.67 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 7.73 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 11.05 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.761 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 78' ' ' VAL . . . . . 0.69 HG22 HG23 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 5.05 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.728 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 21.68 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.29 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.613 HG23 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 43.57 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.562 ' HA ' HG22 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 77.58 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 88.57 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 88.9 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 95.17 111.786 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.673 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 66.02 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 54.11 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 40.76 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 34.31 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 28.69 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 61.29 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.629 HG21 HD13 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 19.65 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 13.09 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 107' ' ' PHE . . . . . 0.528 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 10.47 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 6.22 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 10.48 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 4.16 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 10.22 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.39 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.761 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 5.37 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 7.06 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 6.71 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 5.08 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 5.65 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 10.21 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 6.99 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 122' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' D' ' 32' ' ' PHE . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 18.26 111.984 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 20.06 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 16.85 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 14.84 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 76.73 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.49 HD22 HD11 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 20.32 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 28.37 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 32.68 112.175 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 69.78 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 133' ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 . . . . . 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.423 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.423 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.005 -0.739 . . . . 99.99 109.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 HH12 ' HA ' ' B' ' 29' ' ' PRO . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 87.02 110.016 -167.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 27.8 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 12.57 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 37.56 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 5.43 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 6.92 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 5.61 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 12.68 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 32.78 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.713 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 57.34 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 48.36 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 97.85 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 43.33 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 41.53 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 88.8 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 73.87 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD11 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB2' HD11 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.04 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 54.22 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG22 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 29.36 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 19.86 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 13.6 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 17.22 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 14.92 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 21.43 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 23.61 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 57.75 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 93.1 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 30.12 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 22.88 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 30.01 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 14.44 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 9.47 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 52.1 tp60 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 20.02 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 66.87 108.469 171.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.471 0.545 . . . . 99.99 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 95.56 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 94.48 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 73.2 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 48.9 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 94.19 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 105' ' ' ILE . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 55.88 110.026 166.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 21.71 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.527 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 15.39 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 9.95 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 20.66 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 80' ' ' GLN . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 7.34 111.08 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 15.45 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 4.41 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 7.34 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.475 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 7.28 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 4.96 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 48.88 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 26.6 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 17.97 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 8.38 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.436 HG22 HH21 ' B' ' 15' ' ' ARG . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 20.1 111.398 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 13.71 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 20.05 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 56.76 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.4 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.527 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 62.97 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 56.46 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 77.42 111.396 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 37.2 t . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 93.55 112.013 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 40.88 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 85.25 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.436 HH21 HG22 ' A' ' 122' ' ' THR . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 95.33 110.314 -171.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 13.6 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 23.1 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.569 HG21 HD11 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 6.51 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 19.94 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 5.14 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 19.25 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.565 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 9.84 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 18.09 110.073 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 49.39 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.421 ' HA ' HH12 ' A' ' 15' ' ' ARG . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 98.87 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HB2' ' HB1' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 72.1 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 96.73 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 67.27 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 66.97 110.117 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 35.64 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 74.75 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 43.74 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 89.61 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 85.91 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 76.71 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 98.07 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.615 HG11 HD22 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 57.34 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 21.57 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 62.33 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 95.32 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' B' ' 114' ' ' ILE . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 14.84 107.756 174.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 28.15 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.638 HG21 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 18.14 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 24.35 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 26.44 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 56.64 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.68 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 62.67 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 81.37 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 33.32 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.68 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 25.99 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.511 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 18.76 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 16.93 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 12.76 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' B' ' 113' ' ' CYS . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 8.91 108.858 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 33.15 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 11.78 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 39.34 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 63.88 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 82.93 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.556 ' HB ' ' HD2' ' B' ' 11' ' ' PHE . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 98.2 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.568 ' HB2' ' HA ' ' B' ' 90' ' ' GLU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.455 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.615 HD22 HG11 ' B' ' 58' ' ' VAL . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 71.23 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 59.87 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 71.19 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.508 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 50.37 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' B' ' 102' ' ' CYS . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 36.29 114.139 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 87.59 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 37.19 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 13.07 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 10.37 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 12.29 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.43 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 8.75 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 59.14 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 13.3 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.638 HG21 HG21 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 9.86 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 13.13 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.02 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 26.78 110.779 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 13.3 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 29.79 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.61 HG23 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 23.15 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 23.84 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 29.89 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.511 HD23 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 72.13 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 73.04 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 90.81 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 43.15 110.09 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.602 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 61.27 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.57 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.424 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 109.961 -0.385 . . . . 99.99 109.961 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.731 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.2 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.521 ' N ' HD12 ' C' ' 13' ' ' ILE . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 56.3 107.748 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 93.16 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 11.74 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.444 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 6.91 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 21.95 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 5.12 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 9.28 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 8.82 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 12.04 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 30.41 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.573 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 48.75 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 55.24 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 88.6 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 68.93 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.568 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 87.15 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.713 HD13 HD11 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 94.05 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 71.87 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.8 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 62.96 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 35.73 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 56.22 110.144 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 43.42 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 94.06 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 81.86 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 29.6 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 20.9 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 69.19 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 14.53 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.42 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.437 HG23 HD13 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 17.7 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 29.53 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 32.22 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 59.66 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 97.29 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 76.35 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 37.0 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.67 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 34.06 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 39.96 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 16.54 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 9.25 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.804 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 25.23 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 10.6 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' C' ' 51' ' ' LEU . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 30.38 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.731 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.634 0.254 . . . . 99.99 111.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 68.51 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 56.52 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.475 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 56.59 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 39.21 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 8.71 111.446 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 37.06 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 16.74 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 9.85 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.475 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 5.88 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 7.64 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.488 HH21 ' ND2' ' C' ' 127' ' ' ASN . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 20.64 111.764 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.411 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 13.9 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.437 HD13 HG23 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 8.58 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 8.54 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 6.56 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 5.22 111.384 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.409 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 28.53 110.592 174.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 17.6 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 15.17 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 24.81 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 29.42 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 59.85 111.369 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.488 ' ND2' HH21 ' C' ' 111' ' ' ARG . 33.3 m120 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 41.85 109.01 164.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.713 HD11 HD13 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 38.57 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 24.62 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 130' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 24.48 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 68.05 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 11' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 76.43 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.571 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 79.46 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.602 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 53.22 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.564 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 19.87 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 8.43 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 36.9 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 4.02 107.789 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 7.64 110.296 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 5.08 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 7.19 108.151 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 13.41 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.641 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 12.01 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 20.55 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 22.26 110.365 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 34.6 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 31.63 109.965 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 49.29 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 31.29 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.42 HG11 HD11 ' D' ' 126' ' ' LEU . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 52.79 106.315 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' D' ' 65' ' ' THR . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.663 HD21 HG13 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 74.77 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.699 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.432 ' HG ' HD22 ' D' ' 42' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 66.01 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 77.52 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 38.8 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.434 ' HB3' HD11 ' D' ' 98' ' ' LEU . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 48.36 111.835 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 52.73 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.71 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 82.32 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 96.95 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' D' ' 85' ' ' SER . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 82.8 110.349 -168.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.738 HG22 HD12 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 44.56 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 19.48 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 52.2 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.663 HG13 HD21 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 9.25 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 10.79 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 9.72 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 65' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 19.36 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 11.33 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.554 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 29.87 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 24.97 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 27.84 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 11.35 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 10.67 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 7.73 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 11.05 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.65 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 5.05 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 21.68 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.441 ' O ' HD13 ' D' ' 106' ' ' LEU . 35.9 tp60 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.29 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 43.57 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.408 ' HA ' HG22 ' D' ' 55' ' ' VAL . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 77.58 109.701 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.52 HG22 ' HD2' ' D' ' 11' ' ' PHE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 88.57 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' D' ' 94' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.505 ' HA ' HD12 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 88.9 112.479 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 97' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 95.17 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.738 HD12 HG22 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 66.02 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 100' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 54.11 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 40.76 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 34.31 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 103' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 28.69 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 61.29 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 19.65 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 13.09 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 10.47 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 6.22 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 10.48 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 4.16 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.494 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 10.22 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.39 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.65 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 5.37 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 7.06 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 6.71 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 5.08 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.453 HG23 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 5.65 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 10.21 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 6.99 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 18.26 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 20.06 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 16.85 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.42 HD11 HG11 ' D' ' 40' ' ' VAL . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 14.84 110.745 -174.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 76.73 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.439 HD11 HD12 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 20.32 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 129' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 28.37 111.137 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.494 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 32.68 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 69.78 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 134' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 . . . . . 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.438 ' CE3' HD22 ' C' ' 42' ' ' LEU . 2.0 t-105 . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 121.511 0.672 . . . . 99.99 112.266 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.415 ' N ' HD13 ' E' ' 291' ' ' LEU . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.626 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' HD12 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 87.02 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 27.8 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 12.57 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HZ1' ' HG3' ' B' ' 29' ' ' PRO . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 37.56 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 5.43 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 6.92 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 5.61 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 12.68 108.753 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 32.78 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 57.34 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 48.36 111.268 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 42' ' ' LEU . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 97.85 108.491 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.566 ' HG ' HG11 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 43.33 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 41.53 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 88.8 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 73.87 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.04 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 54.22 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HG2' ' A' ' 79' ' ' GLN . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 29.36 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 19.86 107.091 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 13.6 109.685 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 17.22 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 14.92 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 21.43 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 23.61 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 57.75 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 93.1 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 30.12 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 22.88 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 30.01 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 14.44 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 9.47 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 106' ' ' LEU . 57.5 tp60 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 20.02 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 66.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t . . . . . 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.557 1.212 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 95.56 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 94.48 113.531 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 73.2 112.234 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.582 ' HD3' HG11 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 48.9 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 94.19 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 55.88 110.793 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 21.71 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 15.39 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 9.95 113.11 172.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 20.66 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 7.34 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 15.45 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 4.41 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 7.34 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.433 HG21 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 7.28 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 4.96 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 48.88 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 26.6 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 17.97 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 8.38 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 20.1 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 13.71 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 20.05 113.801 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 56.76 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 62.97 112.048 177.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 56.46 111.427 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 77.42 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.563 -0.532 . . . . 93.55 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 40.88 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 85.25 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 95.33 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 13.6 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 23.1 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 6.51 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 19.94 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 5.14 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 19.25 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 9.84 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 18.09 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 49.39 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.551 ' HG3' ' HZ1' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.58 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 98.87 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 72.1 112.069 -168.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 96.73 108.196 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 67.27 111.123 -165.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 59' ' ' VAL . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 66.97 109.734 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 35.64 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 74.75 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 43.74 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 89.61 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 85.91 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 76.71 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' TYR . . . . . 0.555 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 98.07 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 57.34 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.406 ' O ' HG23 ' B' ' 46' ' ' THR . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 21.57 108.702 -172.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 62.33 109.427 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 95.32 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 14.84 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 28.15 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 18.14 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 24.35 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 26.44 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.584 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 56.64 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 62.67 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 81.37 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 33.32 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.584 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 25.99 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 18.76 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 16.93 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 12.76 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.716 HG21 ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 8.91 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 33.15 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 11.78 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 39.34 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 63.88 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 82.93 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 98.2 110.948 -172.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.555 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 71.23 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 59.87 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 71.19 112.392 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' TYR . . . . . 0.533 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 50.37 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 36.29 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 87.59 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 37.19 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 13.07 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 10.37 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' TYR . . . . . 0.523 ' HE2' HG21 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 12.29 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 8.75 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 59.14 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.716 ' HB3' HG21 ' B' ' 78' ' ' VAL . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 13.3 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.518 ' O ' HG23 ' B' ' 118' ' ' VAL . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 9.86 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 13.13 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.02 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.553 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 26.78 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 13.3 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 29.79 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 23.15 112.539 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 23.84 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 29.89 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 72.13 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 73.04 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.491 HD11 HD12 ' B' ' 114' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 90.81 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 43.15 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 61.27 111.403 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.57 110.934 -173.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 56.3 107.742 170.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 93.16 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 11.74 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 6.91 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 21.95 109.316 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 5.12 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 22' ' ' SER . . . . . 0.544 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 9.28 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 8.82 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 12.04 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 30.41 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.508 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 48.75 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 55.24 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 88.6 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 68.93 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.401 HG13 ' NE1' ' E' ' 290' ' ' TRP . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 87.15 108.462 171.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.423 ' H ' HD23 ' C' ' 42' ' ' LEU . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 94.05 108.548 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.617 HD11 HD23 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 71.87 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 62.96 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 35.73 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 56.22 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 43.42 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 94.06 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 81.86 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.545 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 29.6 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 20.9 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.617 HD23 HD11 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 69.19 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 14.53 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.42 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.526 HG23 HD13 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 17.7 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 29.53 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 32.22 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 59.66 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 97.29 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 76.35 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 37.0 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 34.06 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 39.96 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 16.54 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.412 ' N ' HD13 ' C' ' 75' ' ' LEU . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 77' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 9.25 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 25.23 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 62.2 tp60 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 10.6 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 30.38 108.563 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' PHE . . . . . 0.545 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.459 -0.2 . . . . 99.99 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 68.51 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 56.52 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.459 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 56.59 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 39.21 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' C' ' 105' ' ' ILE . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 8.71 110.072 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.46 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 37.06 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 16.74 113.411 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 9.85 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 5.88 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 7.64 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 20.64 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 13.9 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.526 HD13 HG23 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 8.58 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 8.54 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 6.56 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.523 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 5.22 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 114' ' ' ILE . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 28.53 109.491 173.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 17.6 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 15.17 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 24.81 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 29.42 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 59.85 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.473 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 41.85 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 38.57 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 24.62 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 24.48 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 68.05 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 76.43 105.758 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.47 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 79.46 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 53.22 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 19.87 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 8.43 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 36.9 110.299 176.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.607 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.523 HG21 ' HE2' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 4.02 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 7.64 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 5.08 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 7.19 107.319 172.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 13.41 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 12.01 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 20.55 113.186 -171.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 22.26 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' D' ' 73' ' ' ALA . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 34.6 111.341 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 31.63 109.787 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 49.29 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 31.29 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.62 HG23 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 52.79 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 74.77 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.423 ' N ' HD13 ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 66.01 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 77.52 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 38.8 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 48.36 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 52.73 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.71 108.76 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 82.32 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 52' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 96.95 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' D' ' 85' ' ' SER . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 82.8 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 56' ' ' TYR . . . . . 0.42 ' CE2' HD13 ' D' ' 86' ' ' ILE . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 44.56 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 19.48 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 52.2 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 9.25 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 10.79 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 9.72 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 19.36 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 11.33 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 29.87 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 24.97 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 27.84 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 11.35 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 10.67 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 7.73 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 11.05 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.469 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 5.05 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 21.68 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.29 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 43.57 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.452 ' HA ' HG22 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 77.58 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 88.57 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.703 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.516 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 88.9 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 95.17 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.407 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 66.02 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 54.11 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 40.76 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 34.31 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 28.69 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 61.29 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.47 HG21 HD13 ' D' ' 13' ' ' ILE . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 19.65 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 13.09 112.731 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 107' ' ' PHE . . . . . 0.401 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 10.47 114.005 -173.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 6.22 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 10.48 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 4.16 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 10.22 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.39 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.538 HD13 HG21 ' D' ' 64' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 5.37 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 115' ' ' THR . . . . . 0.523 HG21 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 7.06 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 6.71 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.469 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 5.08 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 5.65 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 10.21 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 6.99 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 18.26 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 20.06 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 125' ' ' GLN . . . . . 0.413 ' HG3' HG23 ' D' ' 115' ' ' THR . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 16.85 112.426 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 14.84 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 76.73 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 20.32 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 28.37 110.315 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 32.68 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 69.78 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 133' ' ' PHE . . . . . 0.401 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' HG13 ' C' ' 40' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 291' ' ' LEU . . . . . 0.537 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 87.02 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 27.8 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 12.57 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 37.56 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 5.43 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 6.92 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 5.61 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 12.68 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 32.78 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' HE3' ' B' ' 19' ' ' LYS . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 57.34 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 48.36 108.959 171.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 97.85 110.104 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 43.33 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 41.53 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 88.8 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 73.87 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.04 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 54.22 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 29.36 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 19.86 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 13.6 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 17.22 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 14.92 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 21.43 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 23.61 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 57.75 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 93.1 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 30.12 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 22.88 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 30.01 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 14.44 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 9.47 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 20.02 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 66.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 95.56 111.614 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 94.48 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 73.2 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 48.9 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 94.19 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 55.88 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD21 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 21.71 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 15.39 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 9.95 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 20.66 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 7.34 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 15.45 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.496 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 4.41 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG13 HG21 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 7.34 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 7.28 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 4.96 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 48.88 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 26.6 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 17.97 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 8.38 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 20.1 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 13.71 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 20.05 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 56.76 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 62.97 111.025 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 56.46 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 77.42 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 110.201 -0.296 . . . . 93.55 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 40.88 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 85.25 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 95.33 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.542 HG23 HD22 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 13.6 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 23.1 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.618 HG21 HD11 ' B' ' 21' ' ' ILE . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 6.51 108.832 173.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 28' ' ' ALA . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 19.94 110.373 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.618 HD11 HG21 ' B' ' 18' ' ' THR . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 5.14 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.499 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 19.25 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 9.84 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 18.09 108.866 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 49.39 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.552 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 98.87 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 72.1 109.7 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.459 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 96.73 110.283 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.473 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.438 HD23 HD21 ' B' ' 60' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 67.27 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 66.97 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 35.64 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 74.75 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 43.74 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 89.61 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 85.91 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 76.71 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 98.07 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.548 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.468 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 57.34 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 21.57 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.438 HD21 HD23 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 62.33 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 95.32 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.743 HG11 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 14.84 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 28.15 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.589 HG21 HG21 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 18.14 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 24.35 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 26.44 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.52 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 56.64 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 62.67 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 81.37 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 33.32 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.52 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 25.99 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 18.76 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 16.93 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 12.76 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.456 HG13 HD13 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 8.91 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 33.15 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 11.78 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 39.34 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.468 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 63.88 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 82.93 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.486 ' H ' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 98.2 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 71.23 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 59.87 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 71.19 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 50.37 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 36.29 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 87.59 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 37.19 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.542 HD22 HG23 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 13.07 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 10.37 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 12.29 111.068 -176.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 8.75 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.671 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 59.14 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 13.3 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.611 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 9.86 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 13.13 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.02 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 26.78 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 13.3 110.4 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 29.79 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.496 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.461 HG22 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 23.15 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.512 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 23.84 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 29.89 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.403 ' HB3' HE21 ' C' ' 125' ' ' GLN . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 73.04 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.743 HD21 HG11 ' B' ' 62' ' ' VAL . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 90.81 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 43.15 111.702 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 61.27 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.57 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.591 0.234 . . . . 99.99 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 56.3 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.403 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 93.16 111.278 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ILE . . . . . 0.54 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 11.74 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 6.91 109.815 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 21.95 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 5.12 107.492 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 9.28 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 8.82 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 12.04 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 30.41 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.486 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 48.75 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.508 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 55.24 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 88.6 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 68.93 112.117 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 87.15 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 94.05 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 71.87 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 62.96 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 35.73 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 56.22 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 43.42 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 94.06 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 81.86 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 29.6 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 20.9 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 69.19 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 14.53 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.42 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 17.7 108.901 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 29.53 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 32.22 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 59.66 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 97.29 110.492 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 76.35 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 37.0 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 34.06 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 39.96 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.465 HD23 HG23 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 16.54 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 9.25 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.675 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 25.23 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 80' ' ' GLN . . . . . 0.478 HE21 HG22 ' C' ' 16' ' ' ILE . 69.3 tp60 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 10.6 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 30.38 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.32 0.581 . . . . 99.99 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.492 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 68.51 114.122 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 56.52 110.586 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.408 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 56.59 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 39.21 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 8.71 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 37.06 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 16.74 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 9.85 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 5.88 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 7.64 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 20.64 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.714 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 13.9 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 8.58 110.507 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 8.54 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 6.56 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.441 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 5.22 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 28.53 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 17.6 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 122' ' ' THR . . . . . 0.56 HG23 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 15.17 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 24.81 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 29.42 111.675 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 125' ' ' GLN . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' C' ' 126' ' ' LEU . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 59.85 104.276 170.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 41.85 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.546 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 38.57 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 24.62 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 24.48 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 68.05 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 76.43 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG23 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 79.46 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' ILE . . . . . 0.542 HG23 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 53.22 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.56 ' HB3' HG23 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 19.87 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 8.43 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 36.9 110.581 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.441 HG21 ' HE2' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 4.02 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 7.64 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 5.08 105.692 167.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 7.19 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 13.41 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 13.9 m120 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 12.01 115.918 -170.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 20.55 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 22.26 109.739 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 34.6 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' LYS . . . . . 0.638 ' HZ1' ' HB3' ' D' ' 71' ' ' GLU . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 31.63 110.412 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 49.29 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 31.29 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 52.79 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.51 HD21 HD22 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 74.77 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 66.01 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 77.52 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 38.8 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 48.36 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 52.73 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.71 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 82.32 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 96.95 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 82.8 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 44.56 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 19.48 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 52.2 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 9.25 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 63' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 10.79 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 9.72 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 19.36 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 11.33 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 29.87 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.44 HD12 HG13 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 24.97 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 27.84 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 71' ' ' GLU . . . . . 0.638 ' HB3' ' HZ1' ' D' ' 34' ' ' LYS . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 11.35 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.524 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 10.67 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 7.73 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 75' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 11.05 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 77' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 5.05 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 21.68 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.29 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.433 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 43.57 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 77.58 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 88.57 108.813 -167.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.793 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.793 ' HB2' HD13 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 88.9 111.718 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 95.17 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 66.02 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 54.11 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 40.76 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 34.31 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 28.69 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 104' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' D' ' 132' ' ' ASN . 5.5 m-20 -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 61.29 110.85 174.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 19.65 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 13.09 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 10.47 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 6.22 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 109' ' ' TYR . . . . . 0.405 ' HE2' ' HD3' ' B' ' 111' ' ' ARG . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 10.48 111.92 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 4.16 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.692 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 10.22 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.39 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' D' ' 76' ' ' CYS . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 5.37 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 7.06 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 6.71 110.959 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.423 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 5.08 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 5.65 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 10.21 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.714 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 6.99 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 18.26 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 123' ' ' PHE . . . . . 0.553 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 20.06 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 16.85 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 14.84 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 127' ' ' ASN . . . . . 0.438 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 76.73 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.51 HD22 HD21 ' D' ' 42' ' ' LEU . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 20.32 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 28.37 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.692 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 32.68 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 69.78 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 132' ' ' ASN . . . . . 0.505 ' HA ' ' ND2' ' D' ' 104' ' ' ASN . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.241 0.615 0 CA-C-O 120.587 0.232 . . . . 99.99 110.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 108.325 -0.991 . . . . 99.99 108.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 87.02 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 27.8 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 12.57 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 37.56 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 5.43 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 6.92 109.755 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 5.61 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 12.68 108.724 177.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 32.78 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 32.1 m80 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HD3' HD11 ' A' ' 68' ' ' LEU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 57.34 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 48.36 109.424 -175.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 97.85 109.031 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' ' 60' ' ' LEU . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 43.33 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 41.53 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 88.8 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 73.87 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.04 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 54.22 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 29.36 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 19.86 107.554 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 13.6 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 17.22 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 14.92 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 21.43 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 23.61 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 57.75 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.626 HD11 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 93.1 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 30.12 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 22.88 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 30.01 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 14.44 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 9.47 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 20.02 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 66.87 108.512 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HD2' HG12 ' A' ' 13' ' ' ILE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 95.56 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 94.48 114.066 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 73.2 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 48.9 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 94.19 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 55.88 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.406 HD21 ' HA3' ' A' ' 82' ' ' GLY . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 21.71 111.668 174.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 15.39 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 9.95 114.134 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 20.66 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 7.34 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 15.45 110.72 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 4.41 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 7.34 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 7.28 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 4.96 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 48.88 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 26.6 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 17.97 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.708 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 8.38 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 122' ' ' THR . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 121' ' ' GLY . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 20.1 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 13.71 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 20.05 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 56.76 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 62.97 109.857 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 56.46 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 77.42 113.621 -168.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.716 -0.476 . . . . 93.55 109.716 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 40.88 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 85.25 110.969 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.426 ' NE ' HG21 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 95.33 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 13.6 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.452 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 23.1 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 6.51 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 19.94 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 5.14 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 19.25 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 9.84 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 18.09 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 19.8 m120 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 49.39 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 19.8 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 98.87 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 72.1 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.51 ' H ' HD23 ' B' ' 42' ' ' LEU . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 96.73 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 67.27 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 66.97 109.759 -168.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 35.64 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 74.75 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 43.74 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 89.61 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 29' ' ' PRO . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 85.91 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 76.71 107.394 170.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 98.07 108.493 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 57.34 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.441 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 21.57 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 95.32 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 14.84 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 28.15 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 18.14 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 24.35 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 26.44 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 56.64 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 62.67 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 81.37 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 33.32 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 25.99 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 18.76 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 16.93 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 12.76 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 8.91 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 12.8 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 33.15 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 11.78 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 39.34 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 63.88 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 82.93 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 98.2 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.429 HG23 ' HG3' ' B' ' 94' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 71.23 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 59.87 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 71.19 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 50.37 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 36.29 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 87.59 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 37.19 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 13.07 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 10.37 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 12.29 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 8.75 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 59.14 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.708 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.512 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 13.3 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' B' ' 76' ' ' CYS . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 9.86 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 13.13 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.02 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 26.78 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 13.3 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' SER . . . . . 0.47 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 29.79 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.466 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 23.15 112.175 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 23.84 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 29.89 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 72.13 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 73.04 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 90.81 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 43.15 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 61.27 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.57 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.276 -0.268 . . . . 99.99 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 56.3 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 93.16 110.695 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 11.74 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 6.91 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 21.95 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ASP . . . . . 0.646 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 5.12 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 9.28 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 8.82 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 12.04 108.385 167.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 30.41 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 48.75 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 55.24 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.425 ' HA ' ' HZ3' ' C' ' 36' ' ' TRP . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 88.6 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' TRP . . . . . 0.425 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 68.93 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 87.15 108.749 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 94.05 106.178 170.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.621 HD21 HD12 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 71.87 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 62.96 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 35.73 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 56.22 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 43.42 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.703 HD11 HD12 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 94.06 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 81.86 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' C' ' 102' ' ' CYS . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 29.6 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' VAL . . . . . 0.448 HG22 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 20.9 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.621 HD12 HD21 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 69.19 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 14.53 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.42 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 17.7 108.292 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 29.53 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 32.22 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 59.66 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 97.29 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 76.35 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 37.0 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 34.06 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 39.96 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' LEU . . . . . 0.448 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 16.54 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' CYS . . . . . 0.448 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 9.25 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 25.23 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 10.6 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ILE . . . . . 0.703 HD12 HD11 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 30.38 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 86' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.611 -0.144 . . . . 99.99 110.611 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' LEU . . . . . 0.686 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 68.51 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 56.52 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 102' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 56.59 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 103' ' ' PRO . . . . . 0.422 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 39.21 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 8.71 109.721 169.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' LEU . . . . . 0.498 HD12 HD23 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 37.06 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 16.74 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 9.85 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 5.88 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 7.64 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' ARG . . . . . 0.423 ' HE ' HD21 ' C' ' 127' ' ' ASN . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 20.64 110.54 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.431 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 13.9 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 8.58 110.443 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 115' ' ' THR . . . . . 0.47 HG21 ' HB3' ' B' ' 119' ' ' SER . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 8.54 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 116' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 6.56 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 117' ' ' MET . . . . . 0.569 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 5.22 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 28.53 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 17.6 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 122' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 15.17 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 24.81 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 29.42 117.244 -177.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' B' ' 125' ' ' GLN . 0.3 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 126' ' ' LEU . . . . . 0.411 HD11 ' CH2' ' E' ' 290' ' ' TRP . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 59.85 110.443 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 127' ' ' ASN . . . . . 0.423 HD21 ' HE ' ' C' ' 111' ' ' ARG . 10.5 m120 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 41.85 109.852 173.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 38.57 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 24.62 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 24.48 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 68.05 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 76.43 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.434 HD13 HG21 ' D' ' 105' ' ' ILE . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 79.46 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 53.22 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' TYR . . . . . 0.401 ' HB3' HG23 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 19.87 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 8.43 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 36.9 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 20' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.569 HD13 ' HE3' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 4.02 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 7.64 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 5.08 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 7.19 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 13.41 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' ALA . . . . . 0.84 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 12.01 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' PRO . . . . . 0.532 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 20.55 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 22.26 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 34.6 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 31.63 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 49.29 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 31.29 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 52.79 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 41' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.4 HD11 HG13 ' D' ' 62' ' ' VAL . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 74.77 109.787 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 66.01 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 45' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 77.52 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 38.8 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 48.36 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 52.73 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.71 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 82.32 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 96.95 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 55' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 82.8 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 58' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 44.56 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 59' ' ' VAL . . . . . 0.495 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 19.48 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 52.2 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 62' ' ' VAL . . . . . 0.4 HG13 HD11 ' D' ' 42' ' ' LEU . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 9.25 107.216 162.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 10.79 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 64' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 9.72 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 65' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 19.36 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 66' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 11.33 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 67' ' ' SER . . . . . 0.491 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 29.87 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 24.97 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 27.84 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 11.35 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 73' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 10.67 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 7.73 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 11.05 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 76' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 5.05 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 79' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 21.68 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 80' ' ' GLN . . . . . 0.422 ' O ' HD13 ' D' ' 106' ' ' LEU . 61.9 tp60 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 81' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.29 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 43.57 108.755 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 85' ' ' SER . . . . . 0.461 ' HB3' HG22 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 77.58 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 88.57 109.431 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 89' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 94' ' ' MET . . . . . 0.675 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 88.9 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 95.17 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 66.02 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 54.11 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 40.76 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 34.31 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 28.69 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 61.29 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 105' ' ' ILE . . . . . 0.434 HG21 HD13 ' D' ' 13' ' ' ILE . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 19.65 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.422 HD13 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 13.09 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 10.47 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 108' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 6.22 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 10.48 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 4.16 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 111' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 10.22 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.39 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 114' ' ' ILE . . . . . 0.717 HG23 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 5.37 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 7.06 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 6.71 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 117' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 5.08 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 5.65 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 10.21 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 6.99 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 18.26 111.252 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 20.06 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 16.85 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 14.84 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 76.73 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.476 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 20.32 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 28.37 111.445 -176.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 130' ' ' PRO . . . . . 0.449 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 32.68 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 69.78 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 290' ' ' TRP . . . . . 0.411 ' CH2' HD11 ' C' ' 126' ' ' LEU . 90.6 m95 . . . . . 0 CA--C 1.547 0.828 0 CA-C-O 121.656 0.741 . . . . 99.99 112.22 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HD1' ' E' ' 290' ' ' TRP . 3.9 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.236 -0.411 . . . . 99.99 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -110.37 8.39 23.28 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 118.755 0.707 . . . . 99.99 111.149 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HH11 ' E' ' 289' ' ' ARG . 0.1 OUTLIER -115.01 45.45 1.61 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.596 0.712 . . . . 99.99 109.235 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' HG3' ' HA2' ' E' ' 292' ' ' GLY . 59.2 tt0 -53.2 109.19 0.4 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.502 -0.925 . . . . 99.99 108.502 172.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -47.39 -68.23 0.21 Allowed 'General case' 0 C--N 1.36 1.028 0 O-C-N 125.003 1.44 . . . . 99.99 111.008 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.3 t30 30.22 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.292 1.837 . . . . 99.99 113.099 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.74 63.03 0.84 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.604 1.162 . . . . 99.99 110.085 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.17 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.056 1.343 . . . . 99.99 110.981 -167.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.534 ' SD ' HG23 ' A' ' 89' ' ' ILE . 18.0 ptt? -102.02 132.58 47.78 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.612 1.165 . . . . 99.99 108.552 172.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -157.12 144.95 19.1 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.638 0.732 . . . . 99.99 111.157 -172.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -92.33 119.05 31.52 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 106.064 -1.828 . . . . 99.99 106.064 167.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -134.57 112.88 11.22 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.686 0.394 . . . . 99.99 110.834 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 87.02 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.906 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 27.8 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.639 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.603 HG21 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 12.57 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 37.56 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 5.43 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 6.92 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 5.61 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 12.68 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 32.78 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' HZ2' ' HB3' ' E' ' 148' ' ' GLU . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HG3' ' H ' ' E' ' 471' ' ' LYS . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 57.34 112.029 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' E' ' 467' ' ' ALA . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 48.36 109.026 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 HD21 ' E' ' 468' ' ' LEU . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 97.85 107.497 169.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 ' HB2' ' E' ' 464' ' ' MET . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 43.33 109.947 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 41.53 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 88.8 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 73.87 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.487 ' HE1' ' HB3' ' E' ' 450' ' ' ASN . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.04 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 54.22 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 29.36 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 19.86 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 13.6 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 17.22 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 14.92 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 21.43 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 23.61 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 57.75 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 93.1 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 30.12 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' E' ' 471' ' ' LYS . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 22.88 109.093 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 30.01 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 14.44 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 9.47 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.647 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 20.02 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 66.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -84.38 90.03 7.5 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 98' ' ' LEU . 14.2 tt -113.14 119.71 61.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.056 -0.974 . . . . 99.99 109.442 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.88 168.97 13.58 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 123.976 0.91 . . . . 99.99 110.754 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.23 -32.48 5.91 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.61 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.534 HG23 ' SD ' ' A' ' 9' ' ' MET . 1.4 pp -111.74 162.85 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 99.99 109.856 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.85 179.54 8.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.798 0.439 . . . . 99.99 111.133 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.19 -148.1 42.06 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.414 -0.812 . . . . 99.99 114.075 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -64.44 -21.01 66.52 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.15 0.58 . . . . 99.99 111.619 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -56.67 -65.62 0.58 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.092 0.957 . . . . 99.99 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' HG12 ' E' ' 452' ' ' VAL . 0.0 OUTLIER -67.92 -30.61 69.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 99.99 111.032 -177.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.38 91.68 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.603 0.761 . . . . 99.99 111.722 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -90.86 -20.38 22.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.784 -0.644 . . . . 99.99 111.558 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.896 0.478 . . . . 99.99 110.871 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp -100.95 -27.4 13.32 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.704 0.402 . . . . 99.99 110.668 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 95.56 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 94.48 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 73.2 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.443 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 48.9 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 94.19 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 55.88 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 21.71 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 15.39 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 9.95 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 20.66 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 7.34 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 15.45 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.603 ' SG ' HG21 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 4.41 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.554 HG22 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 7.34 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.701 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 7.28 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 4.96 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' CYS . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 48.88 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 26.6 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 17.97 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 8.38 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.53 HG22 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 20.1 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 13.71 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' E' ' 131' ' ' TRP . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 20.05 113.881 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.701 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 56.76 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 62.97 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.499 ' O ' HD23 ' E' ' 142' ' ' LEU . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 56.46 110.964 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 77.42 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.577 ' HB ' HD21 ' E' ' 142' ' ' LEU . 14.3 p -143.06 142.13 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -104.42 89.58 3.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.311 0.645 . . . . 99.99 110.888 -167.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.461 ' HA ' ' HB3' ' A' ' 136' ' ' LEU . 3.9 m-30 -84.24 -8.95 58.89 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.082 0.553 . . . . 99.99 111.536 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.26 -49.3 64.89 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.224 0.61 . . . . 99.99 109.6 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.29 96.52 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.66 -1.155 . . . . 99.99 110.821 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 133' ' ' PHE . 45.5 tp -60.58 -39.76 89.24 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.414 1.086 . . . . 99.99 111.544 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.81 -52.0 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.451 0.7 . . . . 99.99 109.72 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.6 tpp -63.29 -39.25 94.04 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.85 -0.613 . . . . 99.99 110.581 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -60.85 -51.67 68.33 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.613 1.165 . . . . 99.99 111.426 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -30.76 67.35 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.582 -0.525 . . . . 99.99 109.582 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.8 -54.32 36.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 123.369 0.668 . . . . 99.99 110.495 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -158.4 -16.45 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.685 1.194 . . . . 99.99 110.63 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 71.09 -54.17 0.67 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.004 1.721 . . . . 99.99 111.36 -171.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -53.61 -26.92 24.05 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.384 1.473 . . . . 99.99 112.934 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.81 -173.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.983 1.313 . . . . 99.99 111.514 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.61 170.42 26.66 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 66.35 -70.95 0.1 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.376 1.471 . . . . 99.99 111.663 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.89 114.06 6.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 111.568 -0.613 . . . . 99.99 111.568 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.6 p -69.41 87.64 0.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.397 0.679 . . . . 99.99 110.718 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.92 148.05 50.45 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.964 -1.016 . . . . 99.99 110.716 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 112.6 9.68 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -143.32 121.19 11.98 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.617 -166.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' E' ' 286' ' ' MET . 24.3 mp0 -78.87 -178.76 6.19 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 169.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.04 -23.31 67.28 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.099 0.56 . . . . 99.99 112.118 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 124.758 1.223 . . . . 99.99 110.848 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 C--O 1.241 0.639 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -163.29 -76.0 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 171.55 -44.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.438 1.495 . . . . 99.99 107.045 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.58 116.87 8.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.72 -1.582 . . . . 99.99 110.116 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.81 19.11 11.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 125.201 1.401 . . . . 99.99 111.642 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.49 -57.73 2.81 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.6 m 65.7 -77.32 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.951 1.3 . . . . 99.99 110.283 -174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -160.19 115.9 2.36 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.941 -1.874 . . . . 99.99 105.941 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.786 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 6.1 tpt 65.03 166.27 0.17 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.889 1.275 . . . . 99.99 112.367 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.3 m -144.63 103.79 3.97 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.458 -2.053 . . . . 99.99 105.458 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -122.92 137.51 54.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.262 0.625 . . . . 93.55 110.278 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 40.88 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 85.25 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.53 HH21 HG22 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 95.33 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 13.6 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 23.1 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 21' ' ' ILE . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 6.51 109.889 173.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 19.94 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 18' ' ' THR . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 5.14 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 19.25 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 9.84 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 18.09 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 49.39 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 98.87 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 64' ' ' VAL . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 72.1 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 96.73 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.407 HD22 ' O ' ' E' ' 10' ' ' LEU . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 67.27 109.687 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 66.97 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 35.64 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 74.75 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 43.74 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 89.61 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.484 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 85.91 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 76.71 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE2' ' HB2' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 98.07 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.432 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 57.34 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 21.57 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 62.33 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 95.32 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 14.84 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 28.15 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 40' ' ' VAL . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 18.14 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 24.35 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 26.44 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 56.64 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 62.67 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 81.37 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 33.32 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 25.99 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 18.76 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 16.93 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 12.76 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 8.91 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 33.15 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 11.78 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 39.34 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 63.88 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 82.93 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 98.2 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.786 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' E' ' 340' ' ' PHE . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.421 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.413 ' HB2' HD21 ' B' ' 141' ' ' LEU . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.409 HD13 HD22 ' E' ' 14' ' ' LEU . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 71.23 112.195 -174.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' B' ' 133' ' ' PHE . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 59.87 113.519 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' B' ' 134' ' ' ASP . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 71.19 111.091 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 50.37 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 36.29 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 87.59 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 37.19 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 13.07 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 10.37 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 12.29 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 8.75 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 59.14 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 13.3 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.468 ' O ' HG23 ' B' ' 118' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 9.86 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 13.13 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.02 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 26.78 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 13.3 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 29.79 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 23.15 111.001 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 23.84 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 29.89 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.488 HD11 HG21 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 72.13 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 73.04 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.646 ' HA ' HG23 ' E' ' 6' ' ' ILE . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 90.81 112.573 -172.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 43.15 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 61.27 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.57 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -99.24 98.96 9.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' B' ' 99' ' ' GLY . 6.2 m-85 -73.12 -29.45 62.91 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.706 0.802 . . . . 99.99 111.093 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' B' ' 100' ' ' ALA . 11.0 t70 -43.88 -65.97 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.824 1.649 . . . . 99.99 113.048 -169.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' B' ' 138' ' ' MET . . . -71.8 -31.85 67.0 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.543 -0.753 . . . . 99.99 111.669 -171.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.462 HD12 HD13 ' E' ' 10' ' ' LEU . 94.7 mt -57.44 -50.53 72.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.766 0.826 . . . . 99.99 111.48 -174.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' E' ' 11' ' ' LEU . 14.4 m-85 -80.91 -28.88 35.69 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.946 0.499 . . . . 99.99 111.944 175.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 142' ' ' GLN . 1.4 tmt? -59.95 -33.58 72.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.249 0.62 . . . . 99.99 110.321 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -73.0 -38.2 66.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.738 0.815 . . . . 99.99 110.423 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.28 -27.5 67.99 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.565 0.746 . . . . 99.99 112.738 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 95' ' ' ALA . 3.9 pp -97.84 4.63 49.67 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.962 0.505 . . . . 99.99 112.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' B' ' 138' ' ' MET . 89.0 mm-40 -86.83 110.3 19.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -155.27 85.75 1.08 Allowed 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 170.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 62.31 17.2 9.15 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 124.9 1.28 . . . . 99.99 112.253 168.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.52 53.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.213 1.005 . . . . 99.99 112.43 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.44 -34.75 85.63 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.498 0.499 . . . . 99.99 113.147 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.03 87.93 2.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.045 0.938 . . . . 99.99 109.315 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.71 67.86 2.93 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.45 -0.795 . . . . 99.99 111.884 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 17.4 p -84.12 -25.08 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.286 0.634 . . . . 99.99 110.545 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.667 ' HG2' ' HB3' ' E' ' 411' ' ' ALA . 8.6 tp10 65.39 -75.84 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.606 1.562 . . . . 99.99 111.497 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 60.29 77.79 0.31 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.154 1.382 . . . . 99.99 112.344 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -107.16 -61.31 1.57 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.469 -0.787 . . . . 99.99 109.646 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' GLN . . . . . 0.433 ' HG3' ' H ' ' B' ' 154' ' ' ASP . 11.0 pt20 -162.8 -64.23 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.85 0.46 . . . . 99.99 110.689 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' B' ' 153' ' ' GLN . 20.4 t70 -178.73 -55.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 -172.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-N 114.029 -1.441 . . . . 99.99 107.415 174.167 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 119.57 -0.253 . . . . 99.99 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m 62.05 91.25 0.07 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.799 1.24 . . . . 99.99 112.133 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.42 -48.84 68.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.85 -0.796 . . . . 99.99 108.85 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 66.59 -72.68 0.08 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.421 1.488 . . . . 99.99 110.423 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -136.97 -73.73 0.43 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 44.45 75.99 0.09 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.562 1.545 . . . . 99.99 112.436 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 29.7 p -81.1 64.16 5.74 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 121.936 0.874 . . . . 99.99 109.839 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -85.09 85.32 7.49 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 114.594 -1.184 . . . . 99.99 108.941 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.78 ' SD ' ' HA3' ' C' ' 148' ' ' GLY . 4.0 mpp? 60.79 112.96 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.277 1.431 . . . . 99.99 111.291 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 87.5 m -85.92 122.54 30.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.862 0.865 . . . . 99.99 109.969 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 -124.55 118.56 26.84 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.053 0.541 . . . . 99.99 110.122 172.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 56.3 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 93.16 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 11.74 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.454 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.581 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 6.91 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 21.95 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 5.12 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 9.28 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 8.82 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.668 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 12.04 108.467 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 30.41 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 72' ' ' THR . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.628 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' D' ' 83' ' ' ILE . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 48.75 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 55.24 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.443 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 88.6 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 68.93 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 87.15 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 94.05 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.519 HD21 HD12 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 71.87 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 62.96 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 35.73 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.511 ' HB2' HD21 ' E' ' 278' ' ' LEU . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 56.22 110.618 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 43.42 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' E' ' 275' ' ' LYS . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 94.06 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 81.86 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.55 ' HD2' HD22 ' E' ' 278' ' ' LEU . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.665 ' HB2' HD11 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 29.6 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.426 HG21 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 20.9 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.62 HD23 HD12 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 69.19 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 14.53 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.42 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.407 HG23 HD13 ' C' ' 114' ' ' ILE . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 17.7 108.016 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 29.53 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 32.22 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' SER . . . . . 0.438 ' HB3' HG23 ' C' ' 72' ' ' THR . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 59.66 110.838 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.42 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 97.29 109.448 176.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 76.35 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' THR . . . . . 0.438 HG23 ' HB3' ' C' ' 67' ' ' SER . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 37.0 110.295 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 34.06 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 39.96 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 16.54 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' C' ' 113' ' ' CYS . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 9.25 109.35 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 25.23 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 10.6 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.539 HD12 HD11 ' C' ' 51' ' ' LEU . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.569 ' HE1' ' HG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' C' ' 10' ' ' THR . 36.3 pt -132.76 141.57 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . 179.5 -173.4 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.088 0.955 . . . . 99.99 111.059 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.98 -5.6 32.3 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 37.0 mm 65.18 79.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.454 1.502 . . . . 99.99 107.561 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' C' ' 94' ' ' MET . 13.6 mt-10 -94.17 -25.71 16.99 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.525 -1.671 . . . . 99.99 109.982 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 -111.75 4.2 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-N 115.774 -0.648 . . . . 99.99 113.542 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 74.6 p -71.05 -22.26 62.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.329 0.652 . . . . 99.99 111.575 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -71.99 -47.78 49.59 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.455 0.702 . . . . 99.99 109.561 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.567 ' HB3' ' HB2' ' C' ' 90' ' ' GLU . 18.6 ptm -69.09 -24.9 64.2 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.226 0.21 . . . . 99.99 111.091 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.02 68.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.321 0.648 . . . . 99.99 111.346 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.39 -56.93 6.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.535 -0.543 . . . . 99.99 109.535 167.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 42.1 t -51.14 -51.61 51.93 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' E' ' 280' ' ' LEU . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLY . . . . . 0.427 ' N ' HD12 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 68.51 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 56.52 111.463 -173.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.484 ' O ' HG12 ' C' ' 105' ' ' ILE . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.569 ' HG ' ' HE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 56.59 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 39.21 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 8.71 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.62 HD12 HD23 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 37.06 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 16.74 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 9.85 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 5.88 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 7.64 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.906 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 20.64 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.581 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 13.9 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.548 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 8.58 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 8.54 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 6.56 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.452 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 5.22 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 28.53 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 17.6 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 15.17 110.524 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.503 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 24.81 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.567 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 29.42 111.648 173.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.476 HD21 HG21 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 59.85 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 41.85 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 38.57 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.406 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 24.62 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.575 ' HG3' HD12 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 24.48 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 68.05 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -61.78 -45.17 95.03 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.661 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 17.5 t70 -82.59 -32.71 28.31 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 118.815 -0.612 . . . . 99.99 111.819 -175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.17 -33.04 25.38 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.101 0.875 . . . . 99.99 111.838 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.18 -56.59 15.39 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.082 0.953 . . . . 99.99 110.843 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -68.27 -21.78 64.78 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.555 0.742 . . . . 99.99 111.339 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.75 -51.63 10.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.117 0.967 . . . . 99.99 110.0 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -65.99 -33.53 76.01 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.406 0.682 . . . . 99.99 110.873 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -70.59 -154.52 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.942 0.897 . . . . 99.99 110.286 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 52.1 tp -147.17 131.43 17.47 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.107 -0.996 . . . . 99.99 109.789 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -96.25 120.3 36.29 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -62.2 -42.36 99.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.99 0.916 . . . . 99.99 112.295 -168.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -101.62 11.22 39.29 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.939 0.896 . . . . 99.99 110.267 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 73.75 -62.07 0.48 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.706 1.602 . . . . 99.99 111.458 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -165.3 -60.26 0.02 OUTLIER Glycine 0 C--N 1.336 0.538 0 N-CA-C 110.059 -1.217 . . . . 99.99 110.059 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.39 104.19 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.252 1.421 . . . . 99.99 111.376 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' GLY . . . . . 0.78 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . -97.37 38.21 3.18 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-O 119.542 -0.588 . . . . 99.99 112.725 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 19.6 m 70.7 -72.28 0.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.697 1.599 . . . . 99.99 112.488 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.83 116.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.161 1.784 . . . . 99.99 109.2 -171.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.15 -46.23 75.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.019 1.328 . . . . 99.99 111.828 -173.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -87.54 -29.34 21.38 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.5 -0.773 . . . . 99.99 110.754 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.88 28.6 17.48 Favored 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 124.354 1.061 . . . . 99.99 109.476 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -150.77 -63.73 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.631 0.772 . . . . 99.99 109.654 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 179.145 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.005 -0.369 . . . . 99.99 110.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m 71.8 -67.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.192 1.397 . . . . 99.99 110.494 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -76.41 170.82 15.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.653 0.781 . . . . 99.99 108.922 166.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 66.82 22.19 10.3 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.131 0.972 . . . . 99.99 111.665 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -76.77 158.76 30.67 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.018 0.527 . . . . 99.99 110.502 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -117.96 179.87 3.96 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.567 0.747 . . . . 99.99 109.737 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 11.5 m -79.5 83.46 5.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.166 0.587 . . . . 99.99 110.365 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -170.76 139.12 1.47 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.914 1.286 . . . . 99.99 107.549 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 26.2 ttt -34.9 133.04 0.3 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.002 0.921 . . . . 99.99 112.977 171.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -118.94 138.97 52.42 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 76.43 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.495 HD13 HG21 ' D' ' 105' ' ' ILE . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 79.46 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.532 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 53.22 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 19.87 111.174 -168.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 8.43 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.628 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 36.9 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.452 HD12 ' HG3' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 4.02 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 7.64 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 5.08 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 7.19 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 13.41 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 12.01 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB2' HD13 ' C' ' 51' ' ' LEU . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 20.55 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 22.26 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 34.6 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 31.63 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' TRP . . . . . 0.454 ' HB3' HD21 ' E' ' 155' ' ' LEU . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 49.29 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 31.29 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 52.79 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 74.77 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 66.01 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.688 ' HA ' ' HB3' ' E' ' 111' ' ' LEU . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 77.52 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 38.8 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 48.36 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 52.73 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.71 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 82.32 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 96.95 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 82.8 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.691 ' HB2' HD22 ' E' ' 100' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 44.56 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 19.48 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 52.2 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 9.25 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 10.79 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 40' ' ' VAL . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 9.72 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.727 ' HB ' ' HG2' ' E' ' 257' ' ' GLN . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 19.36 108.354 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 11.33 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.545 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 29.87 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 24.97 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 27.84 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 11.35 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.545 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 10.67 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 7.73 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 11.05 107.52 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' D' ' 114' ' ' ILE . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 5.05 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.807 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 21.68 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.29 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' C' ' 29' ' ' PRO . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 43.57 107.807 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 77.58 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.625 HG13 HD11 ' E' ' 97' ' ' ILE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 88.57 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.658 ' HB3' ' HG2' ' E' ' 79' ' ' GLU . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 88.9 112.096 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' D' ' 100' ' ' ALA . 29.4 t60 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 97' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 95.17 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.622 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 66.02 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 100' ' ' ALA . . . . . 0.515 ' HB2' ' CE1' ' D' ' 96' ' ' HIS . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 54.11 110.928 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 40.76 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.622 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 34.31 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 28.69 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 61.29 109.281 173.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD13 ' D' ' 13' ' ' ILE . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 19.65 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 13.09 111.963 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 10.47 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 6.22 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 10.48 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 4.16 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 10.22 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.39 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.484 HG12 ' SG ' ' D' ' 76' ' ' CYS . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 5.37 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 7.06 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 6.71 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.419 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 5.08 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 114' ' ' ILE . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 5.65 109.596 173.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 10.21 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 6.99 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 18.26 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 20.06 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 16.85 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 14.84 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 76.73 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 20.32 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 28.37 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 32.68 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.655 HG21 HG11 ' E' ' 121' ' ' VAL . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 69.78 109.304 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.48 ' HB2' ' HA2' ' E' ' 74' ' ' GLY . 16.6 m120 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.571 ' HA ' HD13 ' D' ' 136' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 134' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' D' ' 138' ' ' MET . 1.5 m-20 -34.98 -52.59 0.55 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.69 91.1 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.69 1.196 . . . . 99.99 112.403 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' D' ' 133' ' ' PHE . 5.9 mp -72.74 -52.44 15.1 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.662 -0.699 . . . . 99.99 110.13 -173.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' E' ' 111' ' ' LEU . 6.8 t80 -69.79 -29.87 67.29 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.981 0.512 . . . . 99.99 110.807 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' D' ' 134' ' ' ASP . 36.7 ttm -53.74 -43.55 69.21 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.679 1.192 . . . . 99.99 110.819 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.15 -42.51 80.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.605 -1.179 . . . . 99.99 109.687 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' E' ' 109' ' ' TYR . 55.3 m-85 -64.93 -27.69 69.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.663 0.616 . . . . 99.99 112.663 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.28 -49.25 67.74 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.007 0.523 . . . . 99.99 110.798 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -78.72 2.86 18.23 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.367 0.667 . . . . 99.99 111.407 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -118.46 49.78 1.25 Allowed 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -156.21 128.25 7.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.048 -1.433 . . . . 99.99 109.04 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -135.53 29.03 3.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 99.99 109.928 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.87 -64.71 3.72 Favored Glycine 0 C--N 1.359 1.807 0 O-C-N 123.512 0.507 . . . . 99.99 111.852 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 54.65 94.11 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.437 . . . . 99.99 112.579 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.26 -0.33 86.88 Favored Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.51 -0.605 . . . . 99.99 113.326 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 24.2 m 69.34 -66.37 0.26 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.615 1.566 . . . . 99.99 110.295 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -118.62 -80.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.971 0.908 . . . . 99.99 109.109 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 44.26 -131.32 0.82 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.097 1.359 . . . . 99.99 110.682 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 62.2 t60 70.14 4.79 5.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.062 0.945 . . . . 99.99 112.506 164.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.76 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.821 0.848 . . . . 99.99 110.469 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.31 -62.83 1.48 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.793 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.622 0.769 . . . . 99.99 110.232 -173.199 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.543 ' SD ' ' HE3' ' B' ' 41' ' ' LYS . 1.5 pmm? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 70.84 108.24 0.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.662 1.185 . . . . 99.99 108.348 -164.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -55.75 136.34 51.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.861 0.865 . . . . 99.99 110.818 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' SER . . . . . 0.633 ' H ' ' HB3' ' E' ' 218' ' ' LEU . 41.0 m 66.71 108.86 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.265 1.426 . . . . 99.99 110.968 -169.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.474 HG22 ' H ' ' B' ' 40' ' ' VAL . 10.2 p -55.26 -43.57 74.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.17 0.988 . . . . 99.99 111.094 175.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' B' ' 128' ' ' LEU . 50.5 mm -84.35 89.32 2.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.91 0.862 . . . . 99.99 108.846 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.64 -169.21 2.65 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 113.517 -1.674 . . . . 99.99 108.886 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.434 ' H ' ' H ' ' E' ' 9' ' ' ALA . 2.1 tm? -165.82 -23.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.452 -0.944 . . . . 99.99 108.452 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' E' ' 8' ' ' LEU . . . 70.65 -86.7 0.03 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.636 1.174 . . . . 99.99 110.834 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.462 HD13 HD12 ' B' ' 136' ' ' LEU . 43.9 tp -171.42 -94.61 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.052 0.541 . . . . 99.99 110.157 -174.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HE1' ' B' ' 137' ' ' PHE . 20.0 tp 166.6 139.29 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 N-CA-C 106.309 -1.737 . . . . 99.99 106.309 -166.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' HA ' ' B' ' 45' ' ' ASP . 42.1 Cg_exo -59.56 -43.33 40.15 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.834 2.356 . . . . 99.99 113.414 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 tp -156.69 155.12 31.16 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.749 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 98' ' ' LEU . 52.9 mt -72.53 173.51 8.79 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.27 0.557 . . . . 99.99 111.656 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.83 112.46 7.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.07 -0.968 . . . . 99.99 110.089 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -65.57 -40.44 41.33 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 114.706 1.373 . . . . 99.99 114.706 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.52 -17.89 53.73 Favored 'Trans proline' 0 C--N 1.402 3.345 0 CA-C-N 122.013 1.755 . . . . 99.99 113.597 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.6 -62.94 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 N-CA-C 108.968 -0.753 . . . . 99.99 108.968 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.8 t 179.69 177.34 0.61 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.233 1.413 . . . . 99.99 109.162 172.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 116.17 13.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.308 0.643 . . . . 99.99 109.742 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.34 54.68 2.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.956 0.903 . . . . 99.99 111.579 -169.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.34 134.07 3.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.631 -0.507 . . . . 99.99 109.631 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.8 p -74.02 145.84 84.14 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.862 0.865 . . . . 99.99 110.45 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' E' ' 323' ' ' GLN . 74.0 Cg_endo -74.59 160.28 41.53 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.391 2.061 . . . . 99.99 110.775 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.76 176.56 7.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.41 1.084 . . . . 99.99 109.012 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' MET . . . . . 0.562 ' HB2' ' HD3' ' E' ' 27' ' ' PRO . 58.5 mtm -136.08 -55.83 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 107.97 -1.122 . . . . 99.99 107.97 169.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' E' ' 26' ' ' MET . 89.0 Cg_endo -92.42 96.9 0.18 Allowed 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 121.765 1.644 . . . . 99.99 110.743 172.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' E' ' 50' ' ' ASP . 57.6 t -63.31 115.47 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 115.093 -0.958 . . . . 99.99 110.475 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' E' ' 53' ' ' ALA . 57.4 tp 76.29 -58.8 0.52 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.716 1.606 . . . . 99.99 111.675 175.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' E' ' 27' ' ' PRO . 36.0 mt-10 -92.62 117.77 30.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.776 0.83 . . . . 99.99 110.65 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -70.01 -29.15 66.15 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 99.99 110.575 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -74.65 -32.29 62.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.498 -0.774 . . . . 99.99 109.739 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.88 80.16 0.22 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.018 1.327 . . . . 99.99 110.831 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.16 37.09 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 108.482 -0.933 . . . . 99.99 108.482 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 56.16 99.99 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.587 1.555 . . . . 99.99 112.866 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.94 84.58 0.11 Allowed Glycine 0 C--N 1.341 0.841 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 78.83 6.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 mt 28.01 -93.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.676 0 C-N-CA 126.307 1.843 . . . . 99.99 112.233 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.33 -85.1 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.989 1.316 . . . . 99.99 108.59 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.34 -48.73 5.51 Favored Pre-proline 0 N--CA 1.48 1.043 0 CA-C-O 119.125 -0.464 . . . . 99.99 110.268 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.59 157.07 18.92 Favored 'Trans proline' 0 C--N 1.388 2.644 0 CA-C-N 120.193 1.105 . . . . 99.99 111.515 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.36 -10.43 38.85 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-N 116.129 -0.487 . . . . 99.99 112.887 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.67 -138.67 16.51 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.608 -0.597 . . . . 99.99 111.608 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.37 153.59 37.69 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.107 0.563 . . . . 99.99 109.848 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -60.77 -48.56 81.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.991 0.516 . . . . 99.99 111.023 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . 0.265 3.4 ppt_? 31.96 55.88 0.33 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.387 1.875 . . . . 99.99 113.776 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.35 -33.67 74.01 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.461 -1.7 . . . . 99.99 111.516 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -61.59 -50.82 71.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.567 0.747 . . . . 99.99 109.952 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.96 -84.24 0.01 OUTLIER Glycine 0 C--N 1.363 2.076 0 O-C-N 124.51 1.131 . . . . 99.99 115.103 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' ASP . . . . . 0.457 ' HB2' HG13 ' E' ' 28' ' ' VAL . 19.3 t70 -69.57 -17.69 63.57 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.901 1.281 . . . . 99.99 111.897 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.86 -34.43 75.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.559 1.144 . . . . 99.99 112.682 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -24.87 64.69 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.171 0.434 . . . . 99.99 112.171 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 53' ' ' ALA . . . . . 0.592 ' HB2' HD12 ' E' ' 29' ' ' LEU . . . -89.92 -14.12 34.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.573 0.749 . . . . 99.99 110.932 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.29 86.61 0.81 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.088 0.555 . . . . 99.99 110.918 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 71.87 -71.76 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.911 1.684 . . . . 99.99 110.543 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 79.48 126.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.616 1.567 . . . . 99.99 109.022 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 69.44 -161.74 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.675 1.19 . . . . 99.99 110.467 -170.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 58' ' ' SER . . . . . 0.741 ' HA ' ' HB3' ' E' ' 61' ' ' ASP . 14.7 t 74.79 21.12 2.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.048 1.339 . . . . 99.99 111.208 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mp -64.07 -66.53 0.53 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.949 0.5 . . . . 99.99 110.205 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -83.0 -22.75 33.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.776 0.831 . . . . 99.99 110.82 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 61' ' ' ASP . . . . . 0.741 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 9.7 t70 -76.24 112.55 12.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.585 ' HZ3' ' HD2' ' E' ' 63' ' ' PRO . 0.0 OUTLIER -94.28 113.0 59.71 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.555 0.742 . . . . 99.99 110.695 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.585 ' HD2' ' HZ3' ' E' ' 62' ' ' LYS . 93.1 Cg_endo -84.12 -11.58 8.59 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.294 1.996 . . . . 99.99 112.548 168.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.2 155.92 5.59 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.798 0.686 . . . . 99.99 112.402 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' HZ3' ' E' ' 65' ' ' LYS . 0.0 OUTLIER -170.11 172.75 6.23 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.898 1.279 . . . . 99.99 109.637 162.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -166.09 157.82 13.89 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 tp -171.13 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.702 1.201 . . . . 99.99 108.96 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' ILE . . . . . 0.513 HG22 ' H ' ' E' ' 69' ' ' LEU . 10.9 mt -130.09 -178.97 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.145 -1.057 . . . . 99.99 108.145 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' E' ' 70' ' ' LEU . 14.0 tp -139.0 -160.05 1.02 Allowed 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 107.991 -1.115 . . . . 99.99 107.991 168.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.555 ' H ' ' HG ' ' E' ' 69' ' ' LEU . 91.5 mt -62.64 -32.39 73.42 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.929 0.892 . . . . 99.99 112.179 -174.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 pp -120.34 153.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.359 -0.978 . . . . 99.99 108.359 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.77 80.01 0.05 OUTLIER Glycine 0 C--N 1.346 1.136 0 O-C-N 123.324 0.39 . . . . 99.99 112.209 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.4 131.98 41.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.618 -0.882 . . . . 99.99 108.618 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' D' ' 132' ' ' ASN . . . -167.44 159.86 33.31 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 120.906 -0.664 . . . . 99.99 113.982 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -154.11 118.27 4.79 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.234 -1.025 . . . . 99.99 108.234 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.42 131.24 44.36 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 124.052 0.845 . . . . 99.99 113.32 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.43 150.68 41.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.377 0.671 . . . . 99.99 111.594 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -75.67 -16.18 60.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.707 1.203 . . . . 99.99 112.643 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' D' ' 93' ' ' GLN . 0.3 OUTLIER -55.5 -52.33 64.03 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.884 0.874 . . . . 99.99 110.5 -176.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' E' ' 235' ' ' GLU . 53.5 mt 63.27 76.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.563 1.145 . . . . 99.99 108.74 -171.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -87.53 131.95 34.2 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.235 -0.893 . . . . 99.99 110.782 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 111.75 23.65 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.935 -1.876 . . . . 99.99 105.935 162.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' D' ' 11' ' ' PHE . . . -81.99 -89.29 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 118.882 -0.58 . . . . 99.99 112.522 -168.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' E' ' 193' ' ' PRO . 31.3 mtm180 77.08 178.15 0.16 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.486 1.514 . . . . 99.99 112.009 -171.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB ' ' D' ' 13' ' ' ILE . 25.6 t-20 -144.17 159.07 43.28 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.044 -0.98 . . . . 99.99 109.279 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -174.44 86.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.458 1.503 . . . . 99.99 107.104 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.43 167.17 21.2 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.374 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 69.08 -77.1 0.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.249 1.419 . . . . 99.99 111.229 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.98 -60.96 4.8 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.116 -0.394 . . . . 99.99 112.116 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.12 31.76 10.72 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.976 1.31 . . . . 99.99 112.2 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.4 0.44 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.184 -0.766 . . . . 99.99 111.184 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.05 131.73 12.73 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 111.031 -0.827 . . . . 99.99 111.031 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -61.1 -69.18 0.25 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.03 0.932 . . . . 99.99 111.693 -172.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -165.28 172.83 11.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.969 0.508 . . . . 99.99 110.488 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -146.63 145.12 29.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.108 0.963 . . . . 99.99 110.045 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 96' ' ' GLY . . . . . 0.435 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . 140.76 -104.72 0.4 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.996 -0.442 . . . . 99.99 111.996 173.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.625 HD11 HG13 ' D' ' 86' ' ' ILE . 24.4 pt -90.12 98.64 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.271 0.628 . . . . 99.99 110.232 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.52 -46.35 90.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.671 0.788 . . . . 99.99 111.78 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.63 127.67 40.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.475 0.71 . . . . 99.99 109.157 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' D' ' 56' ' ' TYR . 3.2 mp -124.53 83.07 58.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.883 -1.154 . . . . 99.99 107.883 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -98.72 116.98 0.11 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 122.585 2.19 . . . . 99.99 112.507 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -68.6 158.98 32.86 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 166.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 73.6 p -60.4 -43.45 96.64 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.337 -0.847 . . . . 99.99 109.703 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.77 92.84 0.21 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.76 -46.18 91.47 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.889 0.875 . . . . 99.99 110.274 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -99.81 140.49 33.94 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.162 -1.051 . . . . 99.99 108.162 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 107' ' ' THR . . . . . 0.791 ' HB ' ' HA ' ' E' ' 110' ' ' ALA . 1.3 p -74.64 83.04 2.06 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.616 0.766 . . . . 99.99 112.197 -174.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -82.13 -40.22 22.18 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.511 1.125 . . . . 99.99 109.728 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.435 ' HE2' ' HE1' ' D' ' 137' ' ' PHE . 0.4 OUTLIER -77.77 -22.32 50.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.53 0.332 . . . . 99.99 110.674 169.546 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 110' ' ' ALA . . . . . 0.791 ' HA ' ' HB ' ' E' ' 107' ' ' THR . . . 69.97 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.479 1.511 . . . . 99.99 112.614 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.688 ' HB3' ' HA ' ' D' ' 45' ' ' ASP . 46.8 tp -71.69 -44.82 63.55 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.6 129.36 34.84 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.854 -0.795 . . . . 99.99 108.854 171.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -92.48 22.09 4.87 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 99.99 111.005 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 85.44 120.54 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.604 1.962 . . . . 99.99 110.984 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 14.0 m -58.13 -19.96 36.74 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.053 1.741 . . . . 99.99 113.705 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 -20.3 57.66 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 114.311 0.484 . . . . 99.99 114.311 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 117' ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' E' ' 117' ' ' LYS . 0.0 OUTLIER -128.95 155.04 80.27 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.872 0.869 . . . . 99.99 108.762 176.358 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' HB1' ' E' ' 253' ' ' ALA . 47.0 Cg_exo -57.19 106.16 0.22 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.294 2.663 . . . . 99.99 111.844 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.6 -50.04 54.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.992 0.917 . . . . 99.99 110.243 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -170.12 -51.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.744 1.218 . . . . 99.99 108.003 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.69 ' HA ' ' HG3' ' E' ' 245' ' ' LYS . 29.9 m -104.88 140.87 21.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 C-N-CA 123.888 0.875 . . . . 99.99 109.618 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 20.5 p -142.23 -56.48 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.761 0.824 . . . . 99.99 110.178 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 123' ' ' ASP . . . . . 0.406 ' HB3' ' HE3' ' E' ' 245' ' ' LYS . 30.2 t70 -67.86 142.3 56.16 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.327 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -130.79 152.07 50.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.736 1.214 . . . . 99.99 108.403 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.05 104.49 4.31 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.949 0.5 . . . . 99.99 109.8 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -158.54 173.27 16.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.457 1.103 . . . . 96.83 109.394 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 34.4 p -155.09 141.32 18.52 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.997 0.519 . . . . 99.99 110.472 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.91 175.94 6.5 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.618 0.767 . . . . 74.48 111.057 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.9 m -135.85 142.11 44.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.987 0.915 . . . . 99.99 109.983 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.82 -165.49 1.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.182 0.993 . . . . 99.99 110.368 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 124' ' ' PRO . 21.0 p90 -154.29 172.66 17.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.64 0.776 . . . . 99.99 110.712 -172.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 52.9 m -146.93 -84.09 0.12 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.039 0.535 . . . . 99.99 111.729 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.624 ' H ' ' HG2' ' E' ' 148' ' ' GLU . 26.2 m 50.13 80.23 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.294 1.437 . . . . 99.99 110.563 -163.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.68 98.41 1.8 Allowed Glycine 0 C--N 1.344 0.993 0 CA-C-N 114.427 -1.261 . . . . 89.58 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' C' ' 12' ' ' GLN . 27.1 m -63.55 169.28 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.577 0.751 . . . . 99.99 110.995 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' E' ' 145' ' ' ASP . 30.8 ttmt -163.02 171.61 16.24 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 42.7 m 75.93 129.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.915 1.286 . . . . 99.99 110.087 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -114.59 -54.13 2.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.05 0.94 . . . . 99.99 109.455 -175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -73.53 125.89 28.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.386 0.674 . . . . 99.99 110.658 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.24 -63.43 4.48 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.64 0.588 . . . . 99.99 112.508 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' E' ' 465' ' ' LYS . . . -113.31 131.77 55.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.98 0.912 . . . . 99.99 109.011 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 131' ' ' VAL . 7.8 mp -97.0 41.25 1.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.938 0.895 . . . . 99.99 109.982 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 144.66 91.08 0.12 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.185 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' E' ' 467' ' ' ALA . 4.2 p -147.97 82.08 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 122.097 0.951 . . . . 99.99 108.924 168.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' E' ' 136' ' ' LYS . 12.7 t70 -153.36 121.15 6.02 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.794 -1.094 . . . . 99.99 108.522 167.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.47 88.94 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.517 -0.919 . . . . 99.99 108.517 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -142.33 113.09 7.38 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.15 -0.932 . . . . 99.99 109.501 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 148' ' ' GLU . . . . . 0.624 ' HG2' ' H ' ' E' ' 133' ' ' THR . 4.0 tm-20 -165.33 -67.87 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 98.11 3.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.251 -0.886 . . . . 99.99 110.322 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.63 162.15 27.98 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 107.032 -1.47 . . . . 99.99 107.032 163.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -53.3 114.35 5.95 Favored Pre-proline 0 N--CA 1.48 1.062 0 C-N-CA 122.702 0.401 . . . . 99.99 110.693 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.75 139.97 92.05 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 99.99 111.868 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 48.4 p -86.43 -178.19 6.38 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.293 -0.867 . . . . 99.99 111.081 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.68 -0.64 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 123.809 0.844 . . . . 99.99 112.156 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' D' ' 36' ' ' TRP . 2.1 tm? -49.33 -37.41 24.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.328 1.451 . . . . 99.99 112.399 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.23 102.5 0.09 Allowed 'General case' 0 C--N 1.36 1.035 0 N-CA-C 108.324 -0.991 . . . . 99.99 108.324 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' E' ' 160' ' ' ALA . 54.4 ttm -94.19 -23.88 17.72 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.195 -0.911 . . . . 99.99 111.246 -166.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 68.36 -67.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.095 1.358 . . . . 99.99 111.681 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -63.12 -3.75 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.83 1.252 . . . . 99.99 113.25 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 160' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' E' ' 157' ' ' MET . . . -51.8 -36.27 47.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.46 1.104 . . . . 99.99 111.581 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -100.14 87.65 3.52 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.536 -0.912 . . . . 99.99 108.536 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.2 136.79 24.23 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.185 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.21 79.16 2.33 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.557 0.743 . . . . 99.99 111.057 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.05 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.644 1.578 . . . . 99.99 112.545 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 18.1 m 61.56 72.31 0.52 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.513 1.525 . . . . 99.99 110.638 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -95.74 -63.34 0.97 Allowed Glycine 0 C--N 1.342 0.9 0 CA-C-N 114.087 -1.415 . . . . 99.99 111.698 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.27 -46.69 0.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 125.783 1.633 . . . . 99.99 111.505 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.05 -17.16 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 126.272 1.829 . . . . 99.99 114.58 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 6.7 m -75.87 18.81 0.24 Allowed 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.942 1.297 . . . . 99.99 114.093 -168.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 170' ' ' THR . . . . . 0.433 HG23 ' H ' ' E' ' 171' ' ' ALA . 2.2 t -145.14 -72.64 0.25 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.615 0.643 . . . . 99.99 112.031 -175.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 171' ' ' ALA . . . . . 0.433 ' H ' HG23 ' E' ' 170' ' ' THR . . . -97.03 23.8 6.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.565 0.746 . . . . 99.99 112.675 -164.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -114.88 -78.44 0.58 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.834 0.453 . . . . 99.99 110.134 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 173' ' ' LEU . . . . . 0.493 HD23 ' H ' ' E' ' 238' ' ' THR . 54.7 tp -154.45 118.96 4.83 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.9 175.82 7.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.765 0.826 . . . . 99.99 109.542 168.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -52.68 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.064 0.946 . . . . 99.99 111.283 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 52.51 31.12 9.35 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.353 1.061 . . . . 99.99 113.062 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 54.9 p -63.32 -34.22 12.63 Favored Pre-proline 0 CA--C 1.567 1.633 0 N-CA-C 114.524 1.305 . . . . 99.99 114.524 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 178' ' ' PRO . . . . . 0.594 ' HA ' ' SG ' ' E' ' 190' ' ' CYS . 3.1 Cg_exo -86.19 41.74 0.87 Allowed 'Trans proline' 0 C--N 1.393 2.9 0 C-N-CA 122.291 1.994 . . . . 99.99 113.603 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.83 83.38 4.18 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.824 0.45 . . . . 99.99 110.305 176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 180' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' E' ' 190' ' ' CYS . . . -166.62 -143.87 0.06 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.263 1.025 . . . . 99.99 109.365 -176.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.25 131.29 34.83 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.364 -0.606 . . . . 99.99 109.364 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 182' ' ' VAL . . . . . 0.464 HG21 ' H ' ' E' ' 186' ' ' THR . 5.3 m -133.62 116.83 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.406 1.082 . . . . 99.99 109.078 -175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -82.72 62.12 6.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.613 0.765 . . . . 99.99 110.898 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 176.83 -31.02 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.596 1.159 . . . . 99.99 110.493 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t 71.68 106.49 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.051 1.34 . . . . 99.99 108.268 -163.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 186' ' ' THR . . . . . 0.464 ' H ' HG21 ' E' ' 182' ' ' VAL . 43.4 m 72.0 112.96 0.06 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.258 1.423 . . . . 99.99 109.642 -170.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 41.3 m 73.14 164.29 0.28 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.794 1.238 . . . . 99.99 112.073 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 73.94 133.75 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.752 1.621 . . . . 99.99 110.727 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.9 -140.76 0.53 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.3 1.44 . . . . 99.99 112.582 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 190' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' E' ' 178' ' ' PRO . 23.2 t 74.0 -70.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.983 1.313 . . . . 99.99 110.585 -169.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 191' ' ' TYR . . . . . 0.499 ' HD2' HG22 ' E' ' 232' ' ' THR . 59.2 t80 -155.49 148.47 24.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.285 0.634 . . . . 99.99 109.491 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 79.93 -176.89 54.55 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 123.423 0.452 . . . . 99.99 112.636 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 193' ' ' PRO . . . . . 0.548 ' HG3' ' HD3' ' E' ' 84' ' ' ARG . 44.5 Cg_endo -84.61 -3.31 9.95 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.234 2.623 . . . . 99.99 112.541 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 14.3 m 66.81 -165.57 0.22 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 124.914 1.286 . . . . 99.99 111.12 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 195' ' ' ALA . . . . . 0.503 ' HB2' ' H ' ' E' ' 61' ' ' ASP . . . -73.98 80.49 1.68 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 108.764 -0.828 . . . . 99.99 108.764 167.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 22.4 m -61.56 -49.82 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.719 -0.845 . . . . 99.99 108.719 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 15.1 m 48.49 87.62 0.02 OUTLIER 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.523 1.765 . . . . 99.99 111.828 170.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.62 91.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.699 0.624 . . . . 99.99 110.177 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 67.27 166.42 0.23 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.423 1.489 . . . . 99.99 110.536 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' E' ' 201' ' ' PRO . 75.5 m -61.42 117.72 30.09 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' E' ' 200' ' ' CYS . 11.9 Cg_exo -70.91 69.49 2.27 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.366 2.71 . . . . 99.99 112.298 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -87.55 -22.93 41.51 Favored Glycine 0 N--CA 1.469 0.89 0 CA-C-O 119.617 -0.546 . . . . 99.99 113.324 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 6.0 t30 68.99 -67.62 0.21 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.643 1.577 . . . . 99.99 110.779 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -150.85 50.15 0.86 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 61.2 tp 71.46 -77.53 0.05 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.657 1.583 . . . . 99.99 110.428 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 206' ' ' GLU . . . . . 0.703 ' HG2' ' HG3' ' E' ' 207' ' ' LYS . 42.2 tt0 -106.23 -77.95 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.343 0.657 . . . . 99.99 109.496 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 207' ' ' LYS . . . . . 0.703 ' HG3' ' HG2' ' E' ' 206' ' ' GLU . 84.4 mttt -119.23 -58.7 1.91 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.53 -0.915 . . . . 99.99 108.53 -176.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 101.62 -43.86 1.64 Allowed Glycine 0 C--N 1.351 1.391 0 CA-C-N 115.467 -0.788 . . . . 99.99 112.178 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 80.79 -75.72 2.22 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 112.166 -0.374 . . . . 99.99 112.166 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -147.56 113.99 5.96 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -109.83 162.09 12.79 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.515 0.509 . . . . 99.99 112.171 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 48.0 p -71.43 120.01 16.4 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.222 0.609 . . . . 99.99 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 11.8 mt 61.47 170.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.711 0 C-N-CA 124.902 1.281 . . . . 99.99 111.098 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 214' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' E' ' 219' ' ' ASN . 71.9 p -93.56 5.41 51.68 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.16 -0.963 . . . . 99.99 111.146 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.52 -33.3 75.6 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.104 0.409 . . . . 99.99 112.104 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 216' ' ' GLN . . . . . 0.44 ' HB2' HD12 ' E' ' 217' ' ' LEU . 42.7 mt-30 -83.77 -50.28 8.28 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.664 0.786 . . . . 99.99 109.559 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' E' ' 216' ' ' GLN . 6.2 mp -85.59 93.6 8.85 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.991 -1.004 . . . . 99.99 109.737 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 218' ' ' LEU . . . . . 0.633 ' HB3' ' H ' ' E' ' 4' ' ' SER 0.253 4.0 pp 59.25 -63.03 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 127.69 2.396 . . . . 99.99 116.282 168.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 219' ' ' ASN . . . . . 0.543 ' HB3' ' HB ' ' E' ' 214' ' ' THR . 54.8 t30 -72.28 77.41 1.0 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.364 1.066 . . . . 99.99 112.068 -172.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 158.29 -55.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.771 2.428 . . . . 99.99 107.363 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -108.31 89.46 3.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.001 0.92 . . . . 99.99 108.87 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -125.59 37.92 4.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.767 0.827 . . . . 99.99 111.214 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -69.52 101.05 1.51 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.253 -1.017 . . . . 99.99 108.253 168.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 20.2 m -61.93 143.8 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 124.217 0.948 . . . . 99.99 111.947 -172.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 21.4 p -80.31 77.88 7.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.267 0.627 . . . . 99.99 109.694 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 226' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' E' ' 84' ' ' ARG . 3.0 mm? 54.47 -88.26 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 125.511 1.524 . . . . 99.99 111.283 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 227' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' E' ' 84' ' ' ARG . . . 67.95 177.59 12.17 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-O 119.475 -0.625 . . . . 99.99 114.283 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 45.8 52.91 9.11 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 115.651 1.02 . . . . 99.99 115.651 167.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 229' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' E' ' 83' ' ' ALA . . . 86.98 46.84 4.96 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.91 77.21 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.068 1.347 . . . . 99.99 114.148 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' E' ' 62' ' ' LYS . 22.0 tptm -85.3 -75.05 0.38 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.771 -177.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.499 HG22 ' HD2' ' E' ' 191' ' ' TYR . 23.8 p -136.53 -84.09 0.36 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.6 0.76 . . . . 99.99 109.58 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 233' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' E' ' 62' ' ' LYS . 1.5 m-85 70.9 140.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 125.458 1.503 . . . . 99.99 111.33 -175.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.06 27.91 16.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.955 0.902 . . . . 99.99 111.829 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 235' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' E' ' 80' ' ' ILE . 2.0 tm-20 -71.88 153.84 41.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.015 -1.106 . . . . 99.99 108.015 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 18.1 m -60.22 91.26 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.614 0.766 . . . . 99.99 111.555 -176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -151.94 141.37 21.58 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.19 -0.914 . . . . 99.99 109.198 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.493 ' H ' HD23 ' E' ' 173' ' ' LEU . 39.1 p -86.15 130.35 34.55 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.312 -0.625 . . . . 99.99 109.312 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -73.37 -11.12 60.37 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.342 0.657 . . . . 99.99 111.178 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 103.27 -34.47 5.74 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.908 -0.587 . . . . 99.99 111.838 -177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 49.96 -73.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 127.133 2.173 . . . . 99.99 113.69 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.2 t90 72.43 -66.79 0.29 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.761 1.624 . . . . 99.99 111.819 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -77.83 78.43 4.33 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.992 0.917 . . . . 99.99 108.719 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.94 18.91 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 114.844 -1.071 . . . . 99.99 110.789 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.69 ' HG3' ' HA ' ' E' ' 121' ' ' VAL . 38.5 mmtm -84.4 -65.57 0.99 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.093 0.557 . . . . 99.99 111.709 -171.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 24.8 p 59.85 -173.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 125.414 1.486 . . . . 99.99 111.708 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.6 pp -76.3 -18.05 59.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.525 -0.734 . . . . 99.99 111.069 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -58.19 -14.33 6.82 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 124.818 1.247 . . . . 99.99 113.465 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.86 -11.99 21.88 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.223 1.564 . . . . 99.99 115.223 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 15.7 mm100 -43.33 -30.11 0.49 Allowed 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.846 1.425 . . . . 99.99 114.846 -163.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -51.78 -56.07 16.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.432 0.693 . . . . 99.99 111.481 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -85.61 -41.6 15.08 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 123.407 0.442 . . . . 99.99 110.54 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 253' ' ' ALA . . . . . 0.595 ' HB1' ' HG3' ' E' ' 118' ' ' PRO . . . -72.91 2.56 6.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.347 1.059 . . . . 99.99 113.678 -168.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -66.76 0.34 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 156.14 78.0 0.02 OUTLIER Glycine 0 C--N 1.344 1.027 0 C-N-CA 121.727 -0.273 . . . . 99.99 112.494 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -91.25 43.51 1.15 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.732 0.777 . . . . 99.99 109.488 172.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 257' ' ' GLN . . . . . 0.727 ' HG2' ' HB ' ' D' ' 65' ' ' THR . 10.0 tp-100 -168.75 153.48 5.97 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.268 -0.878 . . . . 99.99 109.832 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 47.8 tp 82.82 -45.84 0.14 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.845 2.058 . . . . 99.99 109.835 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' E' ' 264' ' ' SER . 14.6 p -103.8 23.82 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 C-N-CA 124.731 1.212 . . . . 99.99 109.058 171.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.8 t 69.46 -69.78 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.232 1.413 . . . . 99.99 110.385 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 178.62 -158.67 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.025 1.73 . . . . 99.99 108.366 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.39 -19.0 63.82 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.542 0.737 . . . . 99.99 112.178 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -84.41 2.43 40.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.297 1.039 . . . . 99.99 112.596 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 264' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' E' ' 259' ' ' VAL . 19.6 p -57.69 94.7 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-O 121.608 0.718 . . . . 99.99 111.222 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 26.6 tp -103.9 17.09 24.83 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.026 -0.988 . . . . 99.99 109.88 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 57.9 t30 61.9 87.36 0.1 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.461 1.104 . . . . 99.99 110.738 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 22.7 t 61.22 87.55 0.09 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.054 1.342 . . . . 99.99 110.18 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.11 -68.07 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.638 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.3 t -164.48 44.97 0.1 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 122.226 1.012 . . . . 99.99 110.306 -172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -33.37 0.59 Allowed 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 115.469 -0.787 . . . . 99.99 112.726 -169.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -81.15 -69.13 0.63 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.19 0.441 . . . . 99.99 112.19 -168.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -117.63 -13.07 10.24 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.244 0.618 . . . . 99.99 111.289 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.93 -28.39 70.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.2 1.0 . . . . 99.99 112.022 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -83.96 -22.63 31.39 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.51 0.724 . . . . 99.99 112.072 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' C' ' 50' ' ' GLN . 82.1 tttt -103.12 122.16 46.37 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 122.582 0.353 . . . . 99.99 111.245 -171.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -95.51 -62.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 124.448 3.432 . . . . 99.99 113.247 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.554 HD23 ' H ' ' E' ' 277' ' ' LEU . 2.7 pt? -106.82 -159.71 0.71 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.991 0.916 . . . . 99.99 109.8 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.55 HD22 ' HD2' ' C' ' 56' ' ' TYR . 65.4 tp 84.03 123.46 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.025 1.73 . . . . 99.99 110.732 176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -151.57 42.06 0.73 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.158 -0.474 . . . . 99.99 112.106 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' C' ' 98' ' ' LEU . 4.5 mm? -89.07 176.84 6.82 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.173 0.589 . . . . 99.99 110.66 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 65.3 23.64 12.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.657 1.183 . . . . 99.99 111.625 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.607 0.763 . . . . 99.99 110.116 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -167.91 150.28 5.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.62 1.168 . . . . 99.99 109.077 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -136.99 126.59 3.75 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 110.94 -0.864 . . . . 99.99 110.94 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -86.6 -1.79 57.96 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.5 0.72 . . . . 99.99 111.729 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 153' ' ' GLN . 3.3 mpp? -91.64 107.11 19.75 Favored Pre-proline 0 N--CA 1.477 0.878 0 N-CA-C 109.453 -0.573 . . . . 99.99 109.453 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.01 172.28 12.09 Favored 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.686 2.258 . . . . 99.99 110.808 171.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.94 -85.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' A' ' 3' ' ' GLU . 79.1 mtt180 54.34 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 124.494 1.117 . . . . 99.99 112.093 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.526 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 95.8 m95 -99.15 107.03 19.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 172.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 292' ' ' GLY . . . . . 0.403 ' HA2' ' HG3' ' A' ' 4' ' ' GLN . . . -149.01 173.72 28.83 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.35 143.72 89.53 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.956 3.104 . . . . 99.99 112.936 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -142.55 159.75 41.62 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.835 0.854 . . . . 99.99 110.558 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -157.13 96.81 1.61 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.388 1.075 . . . . 99.99 108.567 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 29.9 m -59.42 -52.28 66.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.595 0.758 . . . . 99.99 110.351 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 20.7 m-30 -93.42 42.49 1.1 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.609 -0.723 . . . . 99.99 111.006 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -63.72 -49.94 71.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.857 0.863 . . . . 99.99 110.401 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 171.12 -137.58 4.47 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.195 -1.162 . . . . 99.99 110.195 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 56.98 23.91 8.86 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.264 1.025 . . . . 99.99 111.637 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' C' ' 124' ' ' PRO . 12.0 tt -128.53 137.9 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 124.558 1.143 . . . . 99.99 108.575 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -160.53 165.31 31.08 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.826 -1.175 . . . . 99.99 107.826 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.429 ' HZ3' ' HB2' ' E' ' 303' ' ' LYS . 0.1 OUTLIER -90.35 105.73 12.57 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.222 1.009 . . . . 99.99 108.313 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -75.6 108.0 2.6 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.528 2.152 . . . . 99.99 110.31 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -66.17 96.78 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.119 0.568 . . . . 99.99 110.196 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.617 HG12 HG21 ' E' ' 6' ' ' ILE . 27.6 m -78.52 120.22 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.888 -0.596 . . . . 99.99 110.364 -175.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 156.13 48.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.444 0.698 . . . . 99.99 110.91 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 53.8 t -108.16 80.07 1.33 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 168.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 5.3 p -95.28 104.11 14.33 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.809 . . . . 99.99 109.537 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.93 -37.66 4.77 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.891 2.394 . . . . 99.99 113.167 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.26 109.79 0.02 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 125.128 1.371 . . . . 99.99 110.689 -173.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.47 -30.44 15.8 Favored 'Trans proline' 0 C--N 1.384 2.432 0 C-N-CA 123.75 2.967 . . . . 99.99 114.215 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 313' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' E' ' 206' ' ' GLU . 0.0 OUTLIER -126.82 122.4 34.63 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.604 -0.888 . . . . 99.99 108.604 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' E' ' 314' ' ' ARG . 0.1 OUTLIER -86.99 -70.88 0.58 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.49 0.716 . . . . 99.99 110.106 -176.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -131.85 -43.96 0.98 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.032 0.533 . . . . 99.99 110.106 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -165.48 129.36 2.29 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.433 1.093 . . . . 99.99 108.506 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 50.3 m -80.76 104.17 11.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.777 0.431 . . . . 99.99 110.127 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.55 160.26 72.8 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 123.866 0.867 . . . . 99.99 110.491 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.31 84.28 0.27 Allowed 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 122.424 2.083 . . . . 99.99 112.098 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 38.4 m -83.79 82.54 8.28 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.578 0.751 . . . . 99.99 109.484 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 63.4 tp -163.17 132.74 4.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.88 -1.054 . . . . 99.99 108.906 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -138.69 111.17 7.52 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 323' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 74.9 mt-30 -86.83 -83.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.522 0.729 . . . . 99.99 110.659 -169.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 77.2 mtm -140.97 -46.03 0.39 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.144 0.978 . . . . 99.99 110.157 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 30.3 m 70.64 -66.92 0.27 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.933 1.693 . . . . 99.99 111.224 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.34 -32.85 74.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.205 1.002 . . . . 99.99 112.247 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' E' ' 330' ' ' GLU . 7.1 tmtm? 78.26 -62.96 0.33 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.538 1.535 . . . . 99.99 110.708 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -64.67 -7.18 9.68 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.794 0.838 . . . . 99.99 112.961 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.15 -28.26 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 125.717 1.607 . . . . 99.99 111.95 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' E' ' 327' ' ' LYS . 12.2 pt-20 -65.22 -40.64 94.37 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.423 0.689 . . . . 99.99 110.601 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.69 -27.95 68.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.36 1.064 . . . . 99.99 109.265 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' E' ' 408' ' ' LEU . 0.8 OUTLIER 46.1 -159.78 0.03 OUTLIER 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.516 1.927 . . . . 99.99 112.241 -177.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 69.4 m -141.57 -159.6 0.98 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.017 0.927 . . . . 99.99 108.667 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 104.83 0.35 Allowed 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.041 0.924 . . . . 99.99 110.292 171.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -166.72 -31.74 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.52 1.128 . . . . 99.99 109.386 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.47 ' O ' ' HA3' ' E' ' 407' ' ' GLY . 3.5 tm-20 78.83 -75.03 0.05 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.452 1.501 . . . . 99.99 108.99 177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' E' ' 415' ' ' LYS . 2.4 ptmt 79.87 -30.83 0.13 Allowed 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 126.235 1.814 . . . . 99.99 113.677 170.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -60.36 -31.47 74.07 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 123.494 0.568 . . . . 99.99 113.413 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.38 100.57 9.31 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 340' ' ' PHE . . . . . 0.443 ' HE1' ' HB3' ' B' ' 90' ' ' GLU . 33.7 t80 -95.44 44.93 1.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.245 1.018 . . . . 99.99 109.589 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.5 tp 57.6 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.876 1.271 . . . . 99.99 110.868 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -147.76 129.38 15.05 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.873 -1.158 . . . . 99.99 107.873 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.1 149.94 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.914 0.885 . . . . 99.99 108.848 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.49 143.8 44.45 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.489 0.716 . . . . 99.99 109.675 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -82.54 67.14 3.77 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 111.405 -0.678 . . . . 99.99 111.405 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 61.17 -157.62 0.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.038 1.335 . . . . 99.99 111.447 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 44.2 p -68.43 169.59 10.49 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 123.008 0.523 . . . . 99.99 110.119 167.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 348' ' ' ILE . . . . . 0.618 HG13 ' HB2' ' E' ' 351' ' ' GLN . 22.2 pt -58.12 133.4 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 110.167 -0.309 . . . . 99.99 110.167 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.96 148.33 51.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.311 0.644 . . . . 99.99 110.04 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 61.1 tttm 78.66 -9.55 1.49 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.947 1.299 . . . . 99.99 112.171 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 351' ' ' GLN . . . . . 0.618 ' HB2' HG13 ' E' ' 348' ' ' ILE . 16.4 tt0 -55.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.533 1.133 . . . . 99.99 111.02 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -100.62 128.76 46.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.007 -0.997 . . . . 99.99 108.817 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -97.22 1.3 49.56 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.75 1.22 . . . . 99.99 110.636 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.54 27.59 3.8 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.416 1.487 . . . . 99.99 110.539 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.03 44.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.644 0.778 . . . . 99.99 110.997 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -63.63 -52.46 58.73 Favored Pre-proline 0 CA--C 1.562 1.418 0 CA-C-O 118.588 -0.72 . . . . 99.99 111.093 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.66 -54.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.016 0 CA-C-N 120.917 1.363 . . . . 99.99 112.165 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 51.3 t 63.12 -75.39 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.965 1.706 . . . . 99.99 111.944 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 112.3 -160.07 13.36 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 115.561 -0.745 . . . . 99.99 111.841 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -162.98 152.61 15.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.828 0.851 . . . . 99.99 108.772 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.06 73.51 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 CA-C-O 122.419 1.104 . . . . 99.99 111.626 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -91.13 70.04 2.05 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 114.906 -1.043 . . . . 99.99 111.071 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.3 -56.99 8.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.73 0.812 . . . . 99.99 109.074 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 1.5 p -122.13 103.23 8.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.188 0.995 . . . . 99.99 108.632 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.45 137.12 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.871 0.868 . . . . 99.99 110.095 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.93 174.05 6.55 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.907 0.883 . . . . 99.99 110.816 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.37 -16.09 59.43 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.079 -0.964 . . . . 99.99 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.75 -52.17 50.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.666 1.187 . . . . 99.99 111.501 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -69.45 -36.26 76.43 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.027 -0.988 . . . . 99.99 111.238 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.17 97.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.112 0.565 . . . . 99.99 111.493 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.54 -41.27 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.762 0.425 . . . . 99.99 111.058 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -67.98 -24.5 65.15 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.682 0.393 . . . . 99.99 110.454 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.475 ' HA ' ' HG2' ' E' ' 376' ' ' GLU . 36.8 ttm180 -64.27 -26.83 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.829 0.706 . . . . 99.99 111.49 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.51 74.03 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.014 -0.539 . . . . 99.99 110.256 172.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.33 -25.29 27.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.865 0.866 . . . . 99.99 111.875 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 376' ' ' GLU . . . . . 0.48 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 6.1 pt-20 -71.22 -13.78 62.03 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.154 0.798 . . . . 99.99 113.154 -172.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.47 -31.29 6.14 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.467 0.707 . . . . 99.99 112.247 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.16 93.27 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.592 0.757 . . . . 99.99 111.616 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -65.01 -38.25 90.32 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.679 0.791 . . . . 99.99 110.187 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 380' ' ' LYS . . . . . 0.48 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 65.1 mttm -69.92 -21.26 63.31 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.523 0.729 . . . . 99.99 111.997 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.41 -30.22 66.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.711 0.804 . . . . 99.99 111.049 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -72.55 -10.07 74.97 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.82 -0.989 . . . . 99.99 114.837 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.76 172.97 0.27 Allowed 'General case' 0 CA--C 1.567 1.612 0 C-N-CA 123.973 0.909 . . . . 99.99 110.414 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 31.9 p -68.21 97.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 109.314 -0.624 . . . . 99.99 109.314 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.87 -41.27 67.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.662 0.785 . . . . 99.99 110.433 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.45 103.92 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 114.917 -1.038 . . . . 99.99 109.026 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.95 108.36 9.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.85 114.84 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 10.7 t -80.39 158.36 26.02 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-N 115.893 -0.594 . . . . 99.99 109.565 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.89 89.6 2.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 391' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' E' ' 351' ' ' GLN . 61.5 t0 -94.42 109.9 21.73 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.974 -1.121 . . . . 99.99 107.974 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 392' ' ' HIS . . . . . 0.609 ' HA ' HD12 ' E' ' 348' ' ' ILE . 0.7 OUTLIER -81.81 158.8 23.95 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.812 0.671 . . . . 99.99 112.812 -171.145 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -101.26 161.75 13.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.721 -1.127 . . . . 99.99 110.45 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -74.63 -37.52 62.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.416 0.686 . . . . 99.99 109.884 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 395' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' E' ' 399' ' ' VAL . . . -99.27 123.41 43.53 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.702 0.801 . . . . 99.99 110.018 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 21.0 m -77.47 91.58 3.92 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.01 0.924 . . . . 99.99 112.176 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 53.89 -79.55 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.878 1.671 . . . . 99.99 114.165 167.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 41.5 pt -65.75 -29.94 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.741 0.816 . . . . 99.99 111.974 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' E' ' 395' ' ' ALA . 8.9 p -98.92 7.84 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 C-N-CA 123.69 0.796 . . . . 99.99 110.784 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.45 62.42 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-O 118.737 -0.649 . . . . 99.99 112.115 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.24 129.98 8.97 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 121.691 1.594 . . . . 99.99 110.543 166.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -81.6 -45.23 16.12 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.339 0.656 . . . . 99.99 110.472 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m -105.6 142.97 34.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.095 0.958 . . . . 99.99 109.554 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -83.86 159.69 21.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.111 0.564 . . . . 99.99 109.823 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 405' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' E' ' 410' ' ' GLN . . . -88.09 112.91 52.43 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-O 119.038 -0.506 . . . . 99.99 109.775 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 406' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' E' ' 410' ' ' GLN . 85.9 Cg_endo -76.55 127.12 9.44 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.362 2.041 . . . . 99.99 111.333 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 407' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' E' ' 336' ' ' GLU . . . -64.15 -174.07 3.35 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 120.011 -0.327 . . . . 99.99 113.674 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 408' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' E' ' 332' ' ' LEU . 6.1 mp 72.93 -68.87 0.21 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.82 1.248 . . . . 99.99 109.571 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 75.5 p -65.83 -40.15 91.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.082 0.953 . . . . 99.99 110.272 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 410' ' ' GLN . . . . . 0.431 ' HG3' ' HB1' ' E' ' 405' ' ' ALA . 5.1 mm-40 -84.5 95.81 8.93 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 106.264 -1.754 . . . . 99.99 106.264 161.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 411' ' ' ALA . . . . . 0.667 ' HB3' ' HG2' ' B' ' 150' ' ' GLU . . . -59.13 -47.2 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.079 0.862 . . . . 99.99 111.507 -172.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.486 ' HB2' ' HD3' ' E' ' 337' ' ' LYS . 82.3 mt 52.89 67.76 0.94 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.883 1.273 . . . . 99.99 111.171 170.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.37 29.34 0.19 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.081 1.352 . . . . 99.99 113.957 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 14.8 t -144.94 10.19 1.33 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.406 0.682 . . . . 99.99 111.165 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.514 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 7.9 mtpm? -100.87 -174.58 2.66 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.197 0.522 . . . . 99.99 111.636 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -50.01 -33.16 17.19 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.616 1.967 . . . . 99.99 112.95 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 417' ' ' GLY . . . . . 0.444 ' HA3' ' HE3' ' E' ' 337' ' ' LYS . . . -73.34 74.13 1.07 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 112.082 -0.407 . . . . 99.99 112.082 172.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -127.63 167.12 16.84 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.578 1.151 . . . . 99.99 109.843 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.39 166.92 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.445 0.698 . . . . 99.99 109.388 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 4.7 tpt 72.61 15.53 4.95 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.291 1.436 . . . . 99.99 110.884 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 59.5 t 65.71 -79.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 125.555 1.542 . . . . 99.99 110.941 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -144.34 8.91 1.4 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.414 0.686 . . . . 99.99 110.665 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 38.8 m 56.52 61.36 2.71 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.968 1.307 . . . . 99.99 110.683 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 71.0 t80 67.08 -73.64 0.08 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.061 1.344 . . . . 99.99 111.265 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 77.66 -116.45 4.5 Favored Glycine 0 C--N 1.341 0.815 0 N-CA-C 111.419 -0.672 . . . . 99.99 111.419 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -157.79 131.61 7.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.325 0.65 . . . . 99.99 109.554 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 22.7 t -105.29 -152.25 0.46 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.413 1.085 . . . . 99.99 108.543 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -82.97 39.59 0.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.407 1.083 . . . . 99.99 111.436 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.05 -55.53 4.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.814 1.245 . . . . 99.99 109.863 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.4 1.63 15.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 113.505 -1.68 . . . . 99.99 112.513 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 21.2 m -54.4 -33.52 59.47 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.783 0.833 . . . . 99.99 112.196 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.26 -29.9 63.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.653 0.781 . . . . 99.99 110.891 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -73.87 -14.05 61.01 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.251 0.62 . . . . 99.99 111.361 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -86.15 45.47 1.23 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 99.99 110.474 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.0 m 65.46 21.57 11.84 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.987 1.315 . . . . 99.99 110.529 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -85.27 132.11 10.88 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.353 -0.693 . . . . 99.99 112.923 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 35.9 t 79.84 -38.87 0.18 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.009 1.724 . . . . 99.99 112.839 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.59 144.14 56.6 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.521 0.728 . . . . 99.99 112.085 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.21 78.18 5.69 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.902 -1.147 . . . . 99.99 107.902 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.87 -41.15 45.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.581 -0.736 . . . . 99.99 109.918 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.83 144.23 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-N 115.294 -0.866 . . . . 99.99 110.222 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -137.92 67.28 1.42 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 107.73 -1.211 . . . . 99.99 107.73 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 64.91 -75.28 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.296 1.438 . . . . 99.99 110.607 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -171.38 -36.3 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.448 1.499 . . . . 99.99 108.803 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 153.02 179.25 28.39 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 115.13 -0.941 . . . . 99.99 111.461 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.95 128.38 17.65 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.444 2.096 . . . . 99.99 110.782 173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -81.19 -10.38 59.63 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.091 0.556 . . . . 99.99 109.803 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.44 167.0 0.28 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.69 1.596 . . . . 99.99 111.365 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.99 -171.06 3.39 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.277 0.631 . . . . 99.99 111.515 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 450' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' A' ' 56' ' ' TYR . 25.8 t-20 -146.78 -64.82 0.29 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.391 0.676 . . . . 99.99 109.368 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.66 -36.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.342 0.657 . . . . 99.99 109.804 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.443 HG13 HD21 ' A' ' 98' ' ' LEU . 27.3 m -117.96 -174.99 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.976 0.91 . . . . 99.99 110.098 173.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -101.13 -53.65 1.0 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.197 -1.161 . . . . 99.99 110.197 167.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 19.2 tp 64.01 12.81 7.21 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.622 1.569 . . . . 99.99 112.352 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 33.4 p -84.76 84.19 7.77 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.372 0.605 . . . . 99.99 110.465 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -139.24 135.33 33.79 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.558 -0.904 . . . . 99.99 108.558 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.82 -29.12 70.48 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.377 1.071 . . . . 99.99 111.417 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 13.3 m -89.97 112.07 23.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.122 -0.696 . . . . 99.99 109.122 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.07 108.22 11.2 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 85.3 mt 67.54 -161.3 0.22 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.612 1.165 . . . . 99.99 110.174 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -133.51 30.26 3.83 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.447 0.699 . . . . 99.99 109.757 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -126.72 106.63 9.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.854 0.862 . . . . 99.99 109.12 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 45.7 m -79.53 86.06 5.23 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.424 ' HB2' HD11 ' A' ' 44' ' ' LEU . 20.7 ttt -69.82 134.32 48.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.688 -171.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' E' ' 141' ' ' ALA . 2.9 tmtp? -84.87 135.85 33.9 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 466' ' ' ALA . . . . . 0.406 ' N ' ' HD3' ' E' ' 465' ' ' LYS . . . -92.47 -149.08 0.24 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.86 1.264 . . . . 99.99 111.601 -175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 467' ' ' ALA . . . . . 0.638 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . . . 76.61 48.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.445 1.498 . . . . 99.99 110.311 -174.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -121.15 -3.24 9.54 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.057 -0.974 . . . . 99.99 113.372 -171.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 469' ' ' GLY . . . . . 0.504 ' H ' HG11 ' A' ' 40' ' ' VAL . . . -165.75 98.14 0.15 Allowed Glycine 0 C--N 1.348 1.213 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.4 176.1 5.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.902 0.881 . . . . 99.99 111.063 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.569 0.748 . . . . 99.99 110.611 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -110.42 -27.93 8.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.207 0.603 . . . . 99.99 109.996 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.63 102.12 4.47 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 108.714 -0.847 . . . . 99.99 108.714 169.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.43 9.82 10.24 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.657 0.783 . . . . 99.99 112.294 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 77.61 -34.17 0.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.667 1.587 . . . . 99.99 113.159 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 69.68 102.06 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.289 1.036 . . . . 99.99 110.707 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -100.07 157.91 16.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.601 0.76 . . . . 99.99 112.237 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 62.5 -167.79 0.2 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.741 1.216 . . . . 99.99 112.034 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.68 43.83 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 109.079 -0.712 . . . . 99.99 109.079 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.07 144.0 0.23 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.185 1.394 . . . . 99.99 108.203 -172.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 12.2 t80 -95.63 127.33 41.57 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 167.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -149.87 111.72 4.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.265 1.026 . . . . 99.99 108.664 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 87.02 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 27.8 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 12.57 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 37.56 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 5.43 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 6.92 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 5.61 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 12.68 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 32.78 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.4 m120 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 57.34 112.378 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 48.36 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD13 ' SD ' ' E' ' 464' ' ' MET . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 97.85 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 43.33 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 41.53 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 88.8 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 73.87 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.04 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 54.22 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.507 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 29.36 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 19.86 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 13.6 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 17.22 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 14.92 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 21.43 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 23.61 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 57.75 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 93.1 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.666 ' HB3' ' HA2' ' E' ' 338' ' ' GLY . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 30.12 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 22.88 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 30.01 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 14.44 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.402 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 9.47 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HG3' HD22 ' A' ' 106' ' ' LEU . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 20.02 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 66.87 108.25 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.659 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -77.25 99.97 5.67 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 pt -138.12 116.13 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.242 1.017 . . . . 99.99 109.873 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.55 174.26 1.24 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.445 1.098 . . . . 99.99 109.32 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.17 6.06 88.94 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.318 -0.401 . . . . 99.99 112.53 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.61 142.3 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.723 1.609 . . . . 99.99 107.914 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -131.15 176.65 8.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.583 0.753 . . . . 99.99 111.21 -169.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.23 -149.06 51.66 Favored Glycine 0 C--N 1.356 1.694 0 CA-C-N 115.133 -0.939 . . . . 99.99 113.819 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 t -58.96 -27.23 65.16 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.138 0.975 . . . . 99.99 111.82 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.79 -53.3 59.51 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.742 0.817 . . . . 99.99 111.308 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.591 ' SD ' HG22 ' E' ' 451' ' ' VAL . 15.5 ptm -81.22 -37.27 28.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.698 -0.228 . . . . 99.99 110.422 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.34 83.35 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.116 0.885 . . . . 99.99 112.117 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -75.5 -41.69 54.73 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.72 0.637 . . . . 99.99 110.34 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 50.9 t -54.66 -37.08 65.28 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.695 0.622 . . . . 99.99 111.873 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 99' ' ' GLY . 3.4 pp -100.93 -33.55 10.15 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' N ' HD12 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 95.56 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 94.48 114.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 73.2 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HD3' HG11 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 48.9 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 94.19 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 55.88 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 21.71 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 15.39 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 9.95 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 20.66 111.18 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 7.34 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.506 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 15.45 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.554 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 4.41 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 7.34 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.516 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 7.28 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 4.96 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 48.88 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 114' ' ' ILE . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 26.6 109.936 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 17.97 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.664 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 8.38 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.417 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.478 HG22 HH21 ' B' ' 15' ' ' ARG . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 20.1 110.454 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 13.71 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' E' ' 131' ' ' TRP . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 20.05 113.031 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD12 HD21 ' E' ' 470' ' ' LEU . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 56.76 107.623 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 62.97 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 56.46 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.547 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 77.42 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' E' ' 140' ' ' GLY . 14.3 m -117.85 112.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -104.09 81.18 1.81 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.301 -1.0 . . . . 99.99 108.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.94 -27.09 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.201 -1.363 . . . . 99.99 112.482 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.39 -49.68 7.07 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.324 0.49 . . . . 99.99 112.324 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 138' ' ' MET . . . -68.3 -23.8 64.78 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.386 0.884 . . . . 99.99 113.386 -164.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -72.43 -30.73 64.88 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.03 0.832 . . . . 99.99 109.808 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.55 -38.46 62.72 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.96 -0.564 . . . . 99.99 110.323 170.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.476 ' HB2' ' HA ' ' A' ' 135' ' ' ALA . 73.1 mtp -67.63 -19.61 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.741 0.416 . . . . 99.99 111.632 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.531 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 79.4 m-20 -59.24 -42.95 92.31 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.568 0.542 . . . . 99.99 110.511 170.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.82 -35.18 79.47 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.6 -0.727 . . . . 99.99 110.875 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.26 -52.26 55.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.398 0.279 . . . . 99.99 111.149 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -176.6 -8.54 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.559 0.948 . . . . 99.99 113.559 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 74.4 mt-30 -72.85 82.63 1.19 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.719 0.771 . . . . 99.99 109.952 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -156.39 11.33 0.26 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.403 -1.271 . . . . 99.99 109.912 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.04 89.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.615 1.166 . . . . 99.99 111.979 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.65 127.7 2.94 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -141.15 143.48 34.28 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.613 0.765 . . . . 99.99 109.304 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.26 -115.19 0.65 Allowed Glycine 0 C--N 1.339 0.742 0 N-CA-C 110.959 -0.856 . . . . 99.99 110.959 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 57.1 p 48.14 -85.02 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.435 1.494 . . . . 99.99 112.295 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.631 ' HG3' ' H ' ' A' ' 151' ' ' GLU . 14.1 pt-20 34.93 -91.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 126.237 1.815 . . . . 99.99 114.316 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.631 ' H ' ' HG3' ' A' ' 150' ' ' GLU . 40.2 tt0 -118.45 -17.02 9.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.824 1.25 . . . . 99.99 109.5 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 72.74 -75.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.897 1.679 . . . . 99.99 110.465 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 60.72 96.13 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.843 1.257 . . . . 99.99 112.135 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.4 t70 70.0 -76.85 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.204 1.401 . . . . 99.99 113.549 168.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.386 0 C-N-CA 125.9 1.68 . . . . 99.99 114.108 -165.901 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.653 -0.213 . . . . 99.99 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -75.7 -82.84 0.07 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.246 -0.65 . . . . 99.99 109.246 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 169.16 106.35 0.01 OUTLIER 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.951 1.7 . . . . 99.99 106.51 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -102.46 168.69 9.15 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.28 0.632 . . . . 99.99 109.476 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 62.74 -87.16 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.798 1.239 . . . . 99.99 109.998 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 50.71 33.04 7.67 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.004 1.322 . . . . 99.99 112.847 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.9 p 49.14 71.84 0.35 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.945 1.298 . . . . 99.99 111.574 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 70.28 96.83 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.22 1.408 . . . . 99.99 110.376 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.449 ' HB3' HG23 ' B' ' 89' ' ' ILE . 22.4 ptm 57.98 -177.18 0.07 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 126.482 1.913 . . . . 99.99 114.393 173.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -133.36 138.5 46.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.33 1.052 . . . . 99.99 108.57 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -139.39 134.21 32.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.021 0.928 . . . . 93.55 109.765 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 40.88 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 85.25 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.588 ' HG3' ' HB1' ' E' ' 128' ' ' ALA . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 95.33 110.439 -176.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 13.6 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 23.1 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.754 HG21 HD11 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 6.51 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 19.94 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.754 HD11 HG21 ' B' ' 18' ' ' THR . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 5.14 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 19.25 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 9.84 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 18.09 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 49.39 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.635 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 98.87 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' OE1' ' E' ' 3' ' ' GLN . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 72.1 108.935 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.479 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' NE2' ' E' ' 3' ' ' GLN . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 96.73 107.77 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' E' ' 11' ' ' LEU . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 67.27 109.4 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 66.97 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 35.64 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 74.75 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 43.74 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 89.61 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 85.91 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 76.71 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 98.07 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.497 HG13 ' HE1' ' E' ' 15' ' ' PHE . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 57.34 107.992 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 21.57 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 62.33 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.833 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 95.32 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 14.84 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.453 HG22 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 28.15 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.597 HG21 HD11 ' E' ' 6' ' ' ILE . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 18.14 109.699 -168.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 24.35 107.296 167.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 26.44 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.46 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 56.64 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 62.67 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 81.37 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HZ1' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 33.32 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 25.99 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 18.76 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 16.93 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.49 ' SG ' HG23 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 12.76 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 8.91 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.833 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 33.15 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 11.78 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.441 HG23 HD12 ' B' ' 51' ' ' LEU . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 39.34 106.917 171.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 63.88 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 82.93 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 98.2 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.531 HD13 ' H ' ' B' ' 89' ' ' ILE . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.719 ' SD ' HG22 ' E' ' 18' ' ' VAL . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.597 ' HA ' ' HB3' ' B' ' 137' ' ' PHE . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 71.23 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 59.87 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 71.19 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 50.37 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 36.29 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 87.59 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 37.19 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 13.07 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PHE . . . . . 0.509 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 10.37 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' TYR . . . . . 0.425 ' HE2' HG21 ' D' ' 115' ' ' THR . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 12.29 111.347 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 8.75 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 59.14 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.664 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 13.3 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.49 HG23 ' SG ' ' B' ' 76' ' ' CYS . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 9.86 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 13.13 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.02 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 26.78 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 13.3 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 29.79 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.554 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 23.15 112.86 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 23.84 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 29.89 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' E' ' 6' ' ' ILE . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 72.13 109.613 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 73.04 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 90.81 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 43.15 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 107' ' ' PHE . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 61.27 112.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' E' ' 8' ' ' LEU . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.57 110.882 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -109.02 82.87 1.66 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -88.02 -5.61 58.41 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.062 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.76 -57.95 9.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.518 1.127 . . . . 99.99 112.776 -170.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -76.04 -33.35 59.62 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.42 0.688 . . . . 99.99 111.633 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.412 HD23 ' HG2' ' B' ' 151' ' ' GLU . 3.2 tm? -59.0 -55.83 30.15 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.108 0.963 . . . . 99.99 109.639 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.597 ' HB3' ' HA ' ' B' ' 96' ' ' HIS . 79.1 m-85 -78.69 -14.86 59.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.719 0.808 . . . . 99.99 112.364 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 44.0 ttm -67.09 -35.66 80.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.658 0.383 . . . . 99.99 110.022 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -76.71 -6.93 54.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.162 0.585 . . . . 99.99 112.341 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.75 -47.79 61.73 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.907 0.483 . . . . 99.99 110.781 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -94.18 -7.88 40.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.367 0.267 . . . . 99.99 110.954 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 55.37 -82.47 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.039 1.735 . . . . 99.99 111.362 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.82 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.31 1.444 . . . . 99.99 113.46 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.15 -29.11 17.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.853 0.861 . . . . 99.99 110.991 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.66 -78.33 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 O-C-N 123.846 0.716 . . . . 99.99 110.543 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.57 -57.23 4.17 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.096 0.248 . . . . 99.99 113.542 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' E' ' 212' ' ' SER . 39.2 tt0 -134.86 88.84 2.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.449 1.1 . . . . 99.99 108.719 -176.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.14 59.0 0.01 OUTLIER Glycine 0 C--O 1.24 0.522 0 N-CA-C 110.202 -1.159 . . . . 99.99 110.202 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 49.6 m -75.55 -76.68 0.14 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 122.863 0.465 . . . . 99.99 110.471 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 50.5 -91.28 0.02 OUTLIER 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.029 1.331 . . . . 99.99 111.866 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.412 ' HG2' HD23 ' B' ' 136' ' ' LEU . 2.9 tm-20 173.25 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.91 1.684 . . . . 99.99 106.573 -177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 18.9 t60 173.17 -55.34 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.039 1.736 . . . . 99.99 107.19 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -71.42 -45.82 61.71 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.919 -1.037 . . . . 99.99 110.172 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.4 153.29 43.79 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.089 -0.96 . . . . 99.99 111.814 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.416 0 C-N-CA 124.299 1.04 . . . . 99.99 109.918 -176.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmt . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 109.676 -0.49 . . . . 99.99 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 66.81 1.25 2.17 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.757 1.223 . . . . 99.99 112.402 -170.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.85 -54.63 5.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.374 1.07 . . . . 99.99 109.263 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLN . . . . . 0.542 HE22 ' HB2' ' E' ' 147' ' ' HIS . 6.5 tp-100 -157.56 159.03 36.71 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.392 -1.276 . . . . 99.99 109.673 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 68.79 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.338 1.455 . . . . 99.99 110.953 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 63.29 -71.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.189 1.396 . . . . 99.99 110.51 -173.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.471 ' HA ' ' CE1' ' C' ' 152' ' ' HIS . 15.2 t -80.03 28.08 0.3 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.092 1.357 . . . . 99.99 112.075 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 55.01 -154.23 0.3 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 124.356 1.062 . . . . 99.99 109.792 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 59.9 mtt 65.71 162.03 0.14 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.991 1.108 . . . . 99.99 113.991 163.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -128.7 113.65 15.63 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.14 -0.936 . . . . 99.99 108.835 167.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.44 ' H ' ' HB ' ' E' ' 146' ' ' ILE . 30.7 t80 -126.22 119.76 28.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 56.3 108.214 164.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 93.16 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 11.74 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.423 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.409 HG21 ' SG ' ' C' ' 113' ' ' CYS . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 6.91 109.788 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' D' ' 28' ' ' ALA . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 21.95 108.739 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 5.12 106.549 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 9.28 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 8.82 107.208 175.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 12.04 109.297 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 30.41 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.475 ' O ' HG23 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 48.75 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.547 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 55.24 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 88.6 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 68.93 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.475 HG11 ' HB ' ' E' ' 296' ' ' THR . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 87.15 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 94.05 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 71.87 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 62.96 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 35.73 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 56.22 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 43.42 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.582 HD11 HD12 ' C' ' 83' ' ' ILE . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 94.06 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.641 HG21 ' HD3' ' E' ' 152' ' ' PRO . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 81.86 109.63 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.559 ' HB2' HD11 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.463 HG11 HD21 ' C' ' 98' ' ' LEU . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 29.6 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 20.9 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 69.19 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.765 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 14.53 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.42 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 17.7 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 29.53 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 32.22 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 59.66 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 97.29 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 76.35 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 37.0 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 34.06 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 39.96 110.906 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 16.54 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 9.25 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 25.23 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' C' ' 106' ' ' LEU . 54.4 tp60 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 10.6 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.582 HD12 HD11 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 30.38 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -138.17 138.35 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.618 ' HA ' HD21 ' E' ' 277' ' ' LEU . . . -155.61 -32.66 0.09 Allowed 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 113.91 1.078 . . . . 99.99 113.91 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.87 -48.16 22.4 Favored Glycine 0 N--CA 1.471 1.002 0 N-CA-C 114.524 0.57 . . . . 99.99 114.524 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' C' ' 94' ' ' MET . 2.3 pp -57.43 153.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.527 0.731 . . . . 99.99 112.668 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -161.09 158.66 28.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.162 0.585 . . . . 99.99 111.708 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' C' ' 94' ' ' MET . . . 74.74 -119.68 6.12 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.781 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 79.4 p -78.84 -25.73 44.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.076 0.55 . . . . 99.99 111.065 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.17 -53.27 60.14 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.144 0.902 . . . . 99.99 109.397 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' C' ' 91' ' ' GLY . 4.8 ptm -68.64 -33.55 74.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.438 -1.255 . . . . 99.99 110.762 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.87 78.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.719 0.808 . . . . 99.99 111.694 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.87 -29.09 25.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.594 0.758 . . . . 99.99 110.897 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m -68.87 -41.29 78.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.933 0.493 . . . . 99.99 111.205 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' E' ' 281' ' ' PHE . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 68.51 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 56.52 111.503 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.428 ' SG ' HG11 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 56.59 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 39.21 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 8.71 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 37.06 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 16.74 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 9.85 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 5.88 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 7.64 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 20.64 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.515 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' C' ' 18' ' ' THR . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 13.9 111.697 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.522 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 8.58 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 8.54 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 6.56 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.531 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 5.22 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 28.53 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 17.6 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 15.17 111.762 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 24.81 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 29.42 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.584 HD13 ' HA ' ' E' ' 296' ' ' THR . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 59.85 107.228 172.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 41.85 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 38.57 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 24.62 112.946 -170.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 24.48 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 68.05 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.72 -41.97 97.98 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.733 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 36.2 t70 -61.39 -44.55 96.96 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 114.839 -1.073 . . . . 99.99 111.862 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.97 -22.85 66.0 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.28 -59.56 2.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.604 0.762 . . . . 99.99 109.105 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 137' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 62.4 m-85 -73.47 -14.09 61.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.755 0.822 . . . . 99.99 112.472 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -62.51 -42.6 99.61 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 99.99 110.544 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.25 -36.41 70.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.916 0.76 . . . . 99.99 110.95 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.66 -146.09 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 124.031 0.932 . . . . 99.99 110.14 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp 68.28 177.87 0.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.405 1.082 . . . . 99.99 110.916 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 72.13 109.41 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.133 1.373 . . . . 99.99 111.266 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -111.19 -61.79 1.64 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.91 0.862 . . . . 99.99 109.459 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -64.21 -18.02 64.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.906 1.682 . . . . 99.99 113.065 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.48 -67.64 0.26 Allowed 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.682 1.593 . . . . 99.99 110.639 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.2 -87.06 0.5 Allowed Glycine 0 C--N 1.344 0.988 0 N-CA-C 110.763 -0.935 . . . . 99.99 110.763 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 63.76 11.11 5.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.176 1.39 . . . . 99.99 111.805 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 58.92 -107.63 1.26 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.6 m 73.4 -41.74 0.5 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.091 1.756 . . . . 99.99 113.614 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -51.29 -43.52 61.64 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.288 1.435 . . . . 99.99 112.97 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.36 -37.41 86.93 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.038 0.836 . . . . 99.99 111.403 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 152' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' C' ' 7' ' ' THR . 68.1 m80 55.76 21.61 4.85 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.084 0.953 . . . . 99.99 112.55 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 69.05 -58.32 0.5 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.834 1.653 . . . . 99.99 111.868 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 65.24 80.2 0.23 Allowed 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.657 1.583 . . . . 99.99 111.976 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 N-CA-C 108.316 -0.994 . . . . 99.99 108.316 170.584 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.427 0.156 . . . . 99.99 110.673 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.22 158.45 34.07 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.213 0.605 . . . . 99.99 110.177 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.63 -47.52 11.17 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -81.12 163.04 23.42 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.648 -0.706 . . . . 99.99 109.432 173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -63.7 -37.49 87.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.753 0.421 . . . . 99.99 110.603 170.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -101.3 -159.55 0.74 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.271 1.029 . . . . 99.99 109.2 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -121.67 -72.38 0.69 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.154 0.581 . . . . 99.99 111.195 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 66.88 152.99 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 125.016 1.326 . . . . 99.99 112.306 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.434 ' SD ' HG13 ' D' ' 89' ' ' ILE . 13.4 tpt -36.93 122.53 0.83 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.607 -0.724 . . . . 99.99 112.077 166.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p -116.7 118.76 33.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 76.43 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.56 HG21 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 14' ' ' GLN . . . . . 0.438 ' HA ' HG21 ' E' ' 306' ' ' VAL . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 79.46 111.985 -170.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.56 HG23 HG21 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 53.22 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 19.87 112.372 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 8.43 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 36.9 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.531 HD13 ' HE3' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 4.02 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 7.64 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 5.08 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 7.19 108.681 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 13.41 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' C' ' 19' ' ' LYS . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 12.01 114.762 -166.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 20.55 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 22.26 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 34.6 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 31.63 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 49.29 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 31.29 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 52.79 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.56 HD11 HD22 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 74.77 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.606 ' HB2' HD22 ' E' ' 111' ' ' LEU . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 66.01 111.058 -173.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 77.52 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 38.8 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 48.36 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 52.73 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.71 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 82.32 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 96.95 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.526 ' HA ' HG21 ' E' ' 97' ' ' ILE . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 82.8 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 44.56 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 19.48 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 52.2 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 9.25 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 10.79 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 9.72 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 19.36 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 11.33 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 29.87 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 24.97 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 27.84 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 11.35 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.475 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 10.67 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 7.73 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 11.05 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' HG23 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 5.05 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 21.68 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.29 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 43.57 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.446 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 77.58 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 88.57 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' HE2' ' D' ' 152' ' ' HIS . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.523 ' HB2' HD13 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 88.9 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 95.17 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.452 HD21 HD12 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 66.02 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 54.11 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 40.76 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 34.31 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.591 ' HG3' HG11 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 28.69 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 61.29 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.442 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 19.65 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 13.09 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 10.47 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 6.22 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 10.48 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 4.16 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 10.22 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.39 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.561 HG23 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 5.37 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 115' ' ' THR . . . . . 0.425 HG21 ' HE2' ' B' ' 109' ' ' TYR . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 7.06 111.301 -173.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 6.71 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 5.08 111.958 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 5.65 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 10.21 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 6.99 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 18.26 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 20.06 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 16.85 110.964 -176.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 14.84 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 76.73 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.56 HD22 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 20.32 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 28.37 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 32.68 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 69.78 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.17 -53.17 17.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.91 63.7 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.273 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.94 -48.99 10.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.98 0.512 . . . . 99.99 110.604 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.477 ' HD2' ' HB2' ' E' ' 109' ' ' TYR . 22.2 m-85 -84.85 -43.16 14.4 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 -171.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' D' ' 141' ' ' LEU . 58.9 mtm -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 112.89 0.7 . . . . 99.99 112.89 -172.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -69.6 -24.3 63.65 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.526 0.516 . . . . 99.99 110.529 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -89.07 -47.32 8.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.073 0.549 . . . . 99.99 110.293 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' D' ' 138' ' ' MET . 87.5 mt -49.46 -26.86 3.65 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 125.139 1.375 . . . . 99.99 113.683 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -73.41 45.4 0.17 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 124.499 1.119 . . . . 99.99 112.262 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -118.36 95.02 4.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.44 1.096 . . . . 99.99 108.692 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -142.26 -45.52 0.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.445 -0.798 . . . . 99.99 109.776 -173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.61 -83.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.111 1.364 . . . . 99.99 112.266 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 146' ' ' GLY . . . . . 0.461 ' HA2' ' HG2' ' D' ' 150' ' ' GLU . . . -177.7 -135.46 2.25 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 112.218 -0.353 . . . . 99.99 112.218 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 69.06 -87.3 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.216 1.406 . . . . 99.99 111.323 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -125.76 -10.08 4.55 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 112.061 -0.415 . . . . 99.99 112.061 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.9 m -78.59 -12.85 60.04 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.606 0.762 . . . . 99.99 110.975 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 150' ' ' GLU . . . . . 0.461 ' HG2' ' HA2' ' D' ' 146' ' ' GLY . 22.1 mm-40 -75.04 -3.15 30.83 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.6 0.76 . . . . 99.99 111.911 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.98 -56.06 26.36 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.272 0.629 . . . . 99.99 109.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 152' ' ' HIS . . . . . 0.467 ' HE2' ' HA3' ' D' ' 91' ' ' GLY . 16.3 t-160 57.7 41.22 25.64 Favored 'General case' 0 CA--C 1.561 1.393 0 O-C-N 124.302 1.001 . . . . 99.99 110.676 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.12 -61.82 2.21 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.069 0.948 . . . . 99.99 110.654 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -130.87 -6.36 4.0 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.616 1.166 . . . . 99.99 109.396 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 124.459 1.104 . . . . 99.99 108.466 -178.702 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.39 139.15 51.83 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.141 -1.059 . . . . 99.99 108.141 166.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.574 ' NE2' ' HG ' ' B' ' 42' ' ' LEU . 25.1 tt0 -66.57 -43.13 85.85 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.384 0.428 . . . . 99.99 110.406 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 25.2 m 69.05 -82.7 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 O-C-N 124.844 1.34 . . . . 99.99 110.823 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -86.57 131.06 34.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.253 0.549 . . . . 99.99 110.611 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.597 HD11 HG21 ' B' ' 64' ' ' VAL . 6.4 tt -64.49 153.35 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 C-N-CA 125.408 1.483 . . . . 99.99 111.242 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -165.41 -147.24 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 124.794 1.238 . . . . 99.99 109.526 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.473 ' HB2' HG21 ' B' ' 131' ' ' VAL . 22.4 mt -127.61 158.66 36.92 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 123.998 0.919 . . . . 99.99 111.576 173.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.87 166.7 10.29 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.209 1.004 . . . . 99.99 109.808 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.76 148.45 34.26 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.801 0.841 . . . . 99.99 112.194 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.533 ' HA ' HD11 ' B' ' 44' ' ' LEU . 3.0 mm? -62.77 143.73 96.76 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.327 1.051 . . . . 99.99 109.932 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' E' ' 11' ' ' LEU . 5.8 Cg_exo -80.05 42.5 1.33 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.261 2.641 . . . . 99.99 112.133 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 55.57 79.6 0.16 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.319 1.448 . . . . 99.99 111.079 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp 66.65 178.57 0.22 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.659 1.184 . . . . 99.99 110.578 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.497 ' HE1' HG13 ' B' ' 58' ' ' VAL . 3.1 p90 -156.3 27.0 0.35 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.787 0.662 . . . . 99.99 112.787 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.681 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . 6.6 m 52.53 67.24 4.1 Favored Pre-proline 0 CA--C 1.565 1.519 0 C-N-CA 124.892 1.277 . . . . 99.99 112.448 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -94.87 -72.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.279 2.653 . . . . 99.99 113.473 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' B' ' 94' ' ' MET . 2.8 m -102.66 108.15 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 N-CA-C 108.997 -0.742 . . . . 99.99 108.997 -175.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m 61.01 -80.68 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 125.093 1.357 . . . . 99.99 113.345 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -121.95 136.02 54.9 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.525 1.13 . . . . 99.99 110.733 -170.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' E' ' 16' ' ' THR . . . -170.47 -6.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.209 1.004 . . . . 99.99 110.859 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -113.41 129.12 56.62 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.623 0.769 . . . . 99.99 110.326 -172.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 37.8 p -95.01 158.67 34.55 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.791 1.236 . . . . 99.99 109.781 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -48.2 169.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.524 2.816 . . . . 99.99 114.477 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.97 27.69 0.18 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.233 1.013 . . . . 99.99 112.906 -174.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 64.1 mtt 60.96 82.85 0.22 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.959 1.304 . . . . 99.99 111.946 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.37 79.4 3.32 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.924 2.416 . . . . 99.99 109.988 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 5.5 m 52.54 14.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 C-N-CA 126.802 2.041 . . . . 99.99 113.574 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.26 114.69 26.5 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 76.18 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.561 1.544 . . . . 99.99 112.177 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 13.6 m120 66.99 20.05 10.5 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.371 1.068 . . . . 99.99 112.153 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.63 58.77 3.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.541 1.136 . . . . 99.99 109.336 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.92 -161.51 0.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.208 -0.906 . . . . 99.99 111.21 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . . . 76.95 86.03 0.08 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 125.16 1.384 . . . . 99.99 110.234 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.1 -43.97 77.27 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.999 0.92 . . . . 99.99 111.035 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.81 43.3 0.02 OUTLIER Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.629 -0.714 . . . . 99.99 111.523 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' ASP . . . . . 0.524 ' HB3' ' HB2' ' E' ' 206' ' ' GLU . 3.4 m-20 -64.11 95.45 0.12 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.904 0.882 . . . . 99.99 109.377 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 pt -75.87 -0.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.795 0.838 . . . . 99.99 113.016 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m 67.11 91.12 0.09 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.852 1.261 . . . . 99.99 109.578 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' E' ' 205' ' ' LEU . . . -55.1 127.86 64.31 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.144 0.978 . . . . 99.99 111.336 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -47.05 -30.48 10.13 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 124.596 3.53 . . . . 99.99 116.345 -168.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.17 -60.75 4.45 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.634 -0.586 . . . . 99.99 111.634 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -129.8 0.62 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.21 -0.756 . . . . 99.99 111.21 168.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -168.04 35.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.096 0.559 . . . . 99.99 110.465 -178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.35 148.89 0.09 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.744 1.218 . . . . 99.99 110.205 -171.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 46' ' ' ARG . . . . . 0.605 ' HG2' ' H ' ' E' ' 47' ' ' LEU . 21.5 ttt180 66.34 -170.67 0.19 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.276 1.03 . . . . 99.99 110.139 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.605 ' H ' ' HG2' ' E' ' 46' ' ' ARG . 2.5 tm? 72.09 -76.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.185 1.394 . . . . 99.99 109.63 175.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 21.1 p -71.63 -32.85 68.4 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.915 0.886 . . . . 99.99 109.863 170.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.458 ' HA2' ' NZ ' ' E' ' 62' ' ' LYS . . . -108.23 65.89 0.24 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.325 -0.852 . . . . 99.99 111.58 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' E' ' 47' ' ' LEU . 24.3 t0 -147.19 143.68 28.38 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.253 0.549 . . . . 99.99 111.891 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.08 -45.25 8.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.354 1.062 . . . . 99.99 110.867 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 69.0 p -67.54 -16.07 64.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.464 0.706 . . . . 99.99 112.483 -171.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.02 72.6 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.074 0.95 . . . . 99.99 110.698 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.25 -74.7 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.692 0.797 . . . . 99.99 109.964 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 tp -166.05 136.43 3.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.172 0.589 . . . . 99.99 110.3 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 56' ' ' ARG . . . . . 0.439 ' NH1' ' HA ' ' E' ' 79' ' ' GLU . 9.3 ptp180 50.63 33.95 8.95 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.754 1.622 . . . . 99.99 114.739 168.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 66.13 77.39 0.29 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.201 1.001 . . . . 99.99 109.783 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -80.5 66.81 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.697 0.799 . . . . 99.99 112.08 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 tt -179.52 -66.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.246 -1.761 . . . . 99.99 106.246 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 47.6 m -117.05 85.24 2.29 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.426 -1.261 . . . . 99.99 108.581 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' E' ' 81' ' ' THR . 9.9 p-10 -71.03 146.51 49.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.829 0.852 . . . . 99.99 110.372 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.458 ' NZ ' ' HA2' ' E' ' 49' ' ' GLY . 49.6 mttp -125.78 98.63 33.65 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 123.277 0.631 . . . . 99.99 109.828 -173.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.12 172.19 7.81 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.155 2.57 . . . . 99.99 113.509 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.72 16.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.471 -0.786 . . . . 99.99 112.331 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' B' ' 131' ' ' VAL . 14.2 tmtt? -104.72 0.42 28.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.328 1.051 . . . . 99.99 110.748 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -68.0 138.36 55.82 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.415 0.686 . . . . 99.99 111.286 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.74 93.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-O 121.949 0.881 . . . . 99.99 109.178 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.34 94.86 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.96 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.96 118.68 37.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.886 -1.052 . . . . 99.99 109.245 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -83.19 73.99 10.05 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.58 6.94 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.954 0.902 . . . . 99.99 112.441 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.33 -47.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.297 0.373 . . . . 99.99 112.684 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.83 149.34 48.7 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.866 0.866 . . . . 99.99 109.659 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.39 79.38 1.92 Allowed Glycine 0 C--N 1.344 1.009 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.95 127.54 35.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.2 100.53 0.13 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.991 -0.844 . . . . 99.99 110.991 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.64 161.95 38.65 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.565 0.746 . . . . 99.99 109.817 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -65.43 -16.08 63.27 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.389 1.076 . . . . 99.99 112.892 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' E' ' 56' ' ' ARG . 10.3 tp10 -59.96 -20.51 57.93 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.31 1.044 . . . . 99.99 111.656 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -62.81 -16.4 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.171 0.988 . . . . 99.99 111.858 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.468 HG21 ' HB2' ' E' ' 61' ' ' ASP . 73.1 p -72.86 81.42 1.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.643 0.735 . . . . 99.99 109.99 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.93 4.1 10.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.528 1.131 . . . . 99.99 110.418 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' E' ' 62' ' ' LYS . . . -98.1 128.11 44.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.442 0.697 . . . . 99.99 109.337 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.17 -172.28 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.888 -0.782 . . . . 99.99 108.888 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.32 121.01 16.85 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.577 0.703 . . . . 99.99 111.058 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -80.84 84.77 6.28 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.09 132.04 27.65 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.706 0.803 . . . . 99.99 112.015 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.87 89.45 0.12 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.459 1.104 . . . . 99.99 111.983 -161.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 89' ' ' GLY . . . . . 0.429 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . 78.14 2.03 81.85 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.27 -0.877 . . . . 99.99 114.193 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.54 83.77 5.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.339 0.656 . . . . 99.99 110.342 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.61 128.81 48.54 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 118.779 -1.012 . . . . 99.99 111.751 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.03 68.64 1.33 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 115.265 0.866 . . . . 99.99 115.265 -167.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -121.87 62.83 0.93 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.274 -1.38 . . . . 99.99 107.274 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -124.75 -90.59 0.56 Allowed 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.949 -170.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -153.56 165.65 35.21 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 124.177 0.991 . . . . 99.99 109.897 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.4 159.26 35.06 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.55 -1.02 . . . . 99.99 110.55 -171.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.747 HD13 HD22 ' E' ' 100' ' ' LEU . 0.1 OUTLIER 80.39 -39.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 125.002 1.321 . . . . 99.99 112.559 176.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.41 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.199 1.4 . . . . 99.99 111.368 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.18 -67.68 0.78 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.938 0.495 . . . . 99.99 110.922 -174.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.747 HD22 HD13 ' E' ' 97' ' ' ILE . 39.6 tp 56.19 67.89 2.58 Favored Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.333 1.053 . . . . 99.99 111.836 -171.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -95.33 1.28 2.47 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.665 2.243 . . . . 99.99 112.678 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.629 ' HG ' ' H ' ' E' ' 103' ' ' THR . 15.1 tp 62.95 -166.41 0.23 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.1 1.36 . . . . 99.99 108.963 -169.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 103' ' ' THR . . . . . 0.629 ' H ' ' HG ' ' E' ' 102' ' ' LEU . 27.3 p -85.82 7.66 23.02 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.183 0.593 . . . . 99.99 111.31 168.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.96 177.24 34.84 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 121.121 0.29 . . . . 99.99 113.1 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.54 -16.73 55.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.113 0.965 . . . . 99.99 109.955 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -127.9 132.45 49.31 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.716 -1.216 . . . . 99.99 107.716 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 20.2 m -68.89 -50.9 45.71 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 71.11 -18.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.451 1.278 . . . . 99.99 114.451 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.477 ' HB2' ' HD2' ' D' ' 137' ' ' PHE . 27.7 m-85 -68.14 97.46 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.772 0.829 . . . . 99.99 111.26 -171.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 72.07 -7.8 1.25 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.247 1.419 . . . . 99.99 113.211 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' D' ' 44' ' ' LEU . 71.2 mt -136.24 106.6 6.43 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.154 0.982 . . . . 99.99 109.089 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.85 39.93 0.13 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.538 -0.541 . . . . 99.99 109.538 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 64.67 122.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.315 1.446 . . . . 99.99 110.96 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 67.76 -70.38 0.12 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.942 1.297 . . . . 99.99 110.168 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 6.3 m 65.35 20.65 11.86 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.302 1.441 . . . . 99.99 110.823 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.26 -79.43 0.53 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.522 -0.763 . . . . 99.99 111.527 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -118.09 120.14 32.74 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.368 1.067 . . . . 99.99 108.566 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 139.49 51.15 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.362 2.042 . . . . 99.99 111.67 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.1 -71.86 0.4 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.111 0.565 . . . . 99.99 111.405 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 232' ' ' THR . 37.9 t80 -123.7 3.66 8.89 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.295 0.638 . . . . 99.99 111.924 -169.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.508 HG11 HD13 ' D' ' 44' ' ' LEU . 46.4 t -121.04 122.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.981 0.512 . . . . 99.99 110.138 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.7 p -131.98 -77.32 0.51 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.443 0.697 . . . . 99.99 110.757 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 123' ' ' ASP . . . . . 0.703 ' HB2' ' HG2' ' E' ' 235' ' ' GLU . 18.4 m-20 -123.49 175.53 6.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.994 0.517 . . . . 99.99 110.79 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 72.3 m -136.07 141.74 44.28 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.126 0.97 . . . . 99.99 109.645 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -128.46 82.08 2.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.579 . . . . 99.99 110.431 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -164.92 117.45 1.22 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.679 0.792 . . . . 96.83 109.874 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 61.3 m -145.71 165.59 28.32 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.705 0.802 . . . . 99.99 111.435 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' B' ' 15' ' ' ARG . . . -145.0 158.38 43.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.192 0.997 . . . . 74.48 110.057 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 30.5 p -89.4 122.56 32.73 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.515 0.726 . . . . 99.99 111.761 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 122' ' ' THR . . . -149.94 138.78 20.94 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.597 1.159 . . . . 99.99 109.815 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -161.46 -166.55 1.54 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.296 0.638 . . . . 99.99 109.694 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 40.6 m -103.78 177.0 4.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.943 0.897 . . . . 99.99 111.036 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 125' ' ' GLN . 6.4 t -115.02 172.45 7.04 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 168.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -82.65 123.67 6.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.818 -0.913 . . . . 89.58 110.818 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.647 ' HA ' HD22 ' E' ' 468' ' ' LEU . 19.3 t -85.51 51.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -55.77 -36.01 66.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.777 1.231 . . . . 99.99 112.105 -168.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' E' ' 468' ' ' LEU . 41.7 p -96.73 108.63 21.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.969 -0.752 . . . . 99.99 108.969 171.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -74.24 0.26 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.369 1.068 . . . . 99.99 109.817 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 71.14 112.34 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.093 1.357 . . . . 99.99 112.687 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 131' ' ' VAL . . . 87.65 -85.39 1.51 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.779 -0.646 . . . . 99.99 111.972 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 49.27 69.69 0.56 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.082 1.353 . . . . 99.99 112.39 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.55 -75.4 0.07 Allowed 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.949 1.3 . . . . 99.99 108.714 -173.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.49 18.53 0.25 Allowed Glycine 0 N--CA 1.475 1.296 0 CA-C-O 119.972 -0.349 . . . . 99.99 112.967 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.3 p -164.81 128.56 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.871 0.869 . . . . 99.99 108.91 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -146.57 139.47 25.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.258 0.623 . . . . 99.99 111.181 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 146' ' ' ILE . . . . . 0.44 ' HB ' ' H ' ' C' ' 11' ' ' PHE . 4.5 mp -126.31 133.74 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 107.448 -1.316 . . . . 99.99 107.448 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 147' ' ' HIS . . . . . 0.542 ' HB2' HE22 ' C' ' 4' ' ' GLN . 8.5 m170 -99.53 149.75 22.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.648 0.779 . . . . 99.99 109.273 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -148.8 -178.29 6.27 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.396 0.617 . . . . 99.99 111.778 -175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -104.68 139.29 39.72 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 106.813 -1.551 . . . . 99.99 106.813 158.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.94 114.3 1.39 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.598 1.159 . . . . 99.99 111.666 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -54.61 -50.75 83.75 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 118.374 -0.822 . . . . 99.99 112.925 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 152' ' ' PRO . . . . . 0.641 ' HD3' HG21 ' C' ' 55' ' ' VAL . 62.8 Cg_endo -85.36 171.65 8.7 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.921 1.748 . . . . 99.99 111.17 168.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.0 p 46.33 75.06 0.13 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.821 1.248 . . . . 99.99 111.974 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 48.9 mm -64.58 -30.95 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.933 0.893 . . . . 99.99 111.062 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.86 -34.74 71.94 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.474 -0.785 . . . . 99.99 110.776 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 156' ' ' GLU . . . . . 0.42 ' HB2' ' HZ2' ' E' ' 471' ' ' LYS . 45.5 mt-10 64.48 -73.62 0.05 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.465 1.506 . . . . 99.99 111.197 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.89 145.29 40.62 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.817 0.847 . . . . 99.99 108.833 171.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.63 12.56 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.279 0.631 . . . . 99.99 110.351 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -62.17 -17.67 58.68 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.699 0.8 . . . . 99.99 112.925 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.15 93.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.697 0.799 . . . . 99.99 110.887 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.34 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.152 1.381 . . . . 99.99 111.959 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.22 -50.39 2.42 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.575 -0.61 . . . . 99.99 111.575 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 55.0 tp 67.17 -69.44 0.13 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.863 1.665 . . . . 99.99 112.138 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -80.14 158.79 26.25 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.598 0.759 . . . . 99.99 111.957 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 10.1 t -112.78 -3.14 14.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.252 1.021 . . . . 99.99 110.407 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.72 -133.79 23.4 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.797 -0.521 . . . . 99.99 111.797 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -89.93 1.82 55.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.581 0.752 . . . . 99.99 111.628 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.4 p 55.26 13.64 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.872 0 C-N-CA 126.398 1.879 . . . . 99.99 113.216 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 10.7 t 49.25 30.91 3.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.375 1.87 . . . . 99.99 114.203 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 29.7 m -94.37 88.86 5.67 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 122.139 -0.35 . . . . 99.99 111.311 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.1 82.54 0.06 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.712 1.605 . . . . 99.99 113.633 169.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.77 100.6 10.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.208 0.603 . . . . 99.99 109.859 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.6 129.23 35.54 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.691 -1.14 . . . . 99.99 109.916 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -77.47 89.43 3.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 121.752 0.786 . . . . 99.99 109.022 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.26 174.2 9.12 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.903 -0.589 . . . . 99.99 111.031 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.21 93.51 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.418 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 42.1 p -59.07 135.91 87.83 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.949 0.9 . . . . 99.99 110.31 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.77 96.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.051 2.5 . . . . 99.99 112.309 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 65.33 168.15 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.226 1.411 . . . . 99.99 112.874 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -163.12 118.12 1.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.059 0.944 . . . . 99.99 108.848 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 9.8 tt -92.44 122.64 35.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.483 0.713 . . . . 99.99 109.593 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.79 111.6 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.79 -3.22 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.852 1.261 . . . . 99.99 113.042 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 53.82 -97.59 0.07 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.123 1.369 . . . . 99.99 110.732 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 185' ' ' VAL . . . . . 0.418 HG23 ' H ' ' E' ' 186' ' ' THR . 0.2 OUTLIER -154.88 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.259 1.023 . . . . 99.99 108.72 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 186' ' ' THR . . . . . 0.418 ' H ' HG23 ' E' ' 185' ' ' VAL . 57.2 m 54.03 -88.91 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.194 1.397 . . . . 99.99 112.008 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 26.2 t 156.76 165.96 0.01 OUTLIER 'General case' 0 C--O 1.251 1.159 0 C-N-CA 127.864 2.465 . . . . 99.99 106.475 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 61.67 36.37 16.57 Favored 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 122.545 1.164 . . . . 99.99 110.663 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -67.75 106.76 2.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.441 -1.254 . . . . 99.99 109.301 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 15.9 t 62.38 -171.46 0.16 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.2 0.937 . . . . 99.99 111.043 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 47.2 t80 67.7 -72.96 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.508 1.523 . . . . 99.99 112.019 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -55.67 -60.87 8.13 Favored Glycine 0 C--N 1.357 1.739 0 CA-C-O 119.173 -0.793 . . . . 99.99 113.615 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.43 76.05 0.52 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.157 2.571 . . . . 99.99 112.184 170.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 17.5 m -74.32 96.18 2.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.346 0.658 . . . . 99.99 110.718 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.4 93.44 2.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.805 0.842 . . . . 99.99 109.518 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -65.78 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.947 -0.761 . . . . 99.99 108.947 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 20.7 m 63.09 56.9 1.7 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.751 1.22 . . . . 99.99 113.95 164.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.51 -52.39 9.87 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 167.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -95.7 139.21 32.27 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 113.831 -1.531 . . . . 99.99 107.163 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' E' ' 34' ' ' ALA . 57.3 m -61.89 110.36 3.14 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.316 1.046 . . . . 99.99 112.546 -171.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.45 ' HG2' ' HG2' ' E' ' 206' ' ' GLU . 71.8 Cg_endo -75.58 -33.96 3.68 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.486 2.124 . . . . 99.99 111.902 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 202' ' ' GLY . . . . . 0.585 ' HA3' ' H ' ' E' ' 206' ' ' GLU . . . -96.97 -22.48 17.63 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.642 -0.532 . . . . 99.99 112.527 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 70.61 -68.57 0.2 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.481 1.513 . . . . 99.99 111.857 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -116.32 13.45 15.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.383 0.673 . . . . 99.99 111.351 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 205' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' E' ' 40' ' ' ALA . 73.3 mt -135.18 -82.98 0.42 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.522 0.729 . . . . 99.99 111.023 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 206' ' ' GLU . . . . . 0.585 ' H ' ' HA3' ' E' ' 202' ' ' GLY . 0.2 OUTLIER 68.06 120.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.597 1.559 . . . . 99.99 110.07 -171.023 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -138.51 113.12 8.94 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.281 0.633 . . . . 99.99 109.607 -176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.91 136.6 2.79 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.726 0.641 . . . . 99.99 112.081 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 69.0 44.25 68.51 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.828 0.37 . . . . 99.99 112.549 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -84.7 131.23 34.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 81.38 -75.09 2.35 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.119 -1.192 . . . . 99.99 110.119 -164.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 212' ' ' SER . . . . . 0.5 ' HB3' ' HA ' ' B' ' 147' ' ' GLU . 55.0 p -149.39 -78.1 0.14 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.66 0.784 . . . . 99.99 109.599 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' E' ' 216' ' ' GLN . 8.5 tp -167.98 4.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.332 0 C-N-CA 124.808 1.243 . . . . 99.99 109.081 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 21.8 m 86.56 -61.59 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 126.822 2.049 . . . . 99.99 111.461 -173.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -65.4 -13.43 58.65 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -167.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 216' ' ' GLN . . . . . 0.419 ' HG3' HG22 ' E' ' 213' ' ' ILE . 27.1 mt-30 -63.07 -54.79 32.56 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 119.087 -0.482 . . . . 99.99 111.345 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 43.9 tp 47.84 61.64 2.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.416 1.073 . . . . 99.99 110.588 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 57.6 mt -74.59 98.95 3.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.305 -0.861 . . . . 99.99 110.83 -172.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -73.85 84.33 1.69 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.927 -1.033 . . . . 99.99 109.504 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -155.02 -171.11 3.71 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.035 -1.438 . . . . 99.99 108.108 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 68.91 50.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 99.99 111.164 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -86.06 126.85 34.48 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 114.944 -1.025 . . . . 99.99 109.029 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -97.69 125.41 42.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.609 0.763 . . . . 99.99 111.428 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.56 158.01 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 123.925 0.89 . . . . 99.99 108.712 171.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 20.1 p -76.94 78.78 3.5 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 109.803 -0.443 . . . . 99.99 109.803 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.3 mt 71.88 -12.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.35 1.86 . . . . 99.99 114.262 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 88.82 -51.45 3.83 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 112.036 -0.426 . . . . 99.99 112.036 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -158.85 -179.02 33.4 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.101 -0.799 . . . . 99.99 111.101 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -72.83 120.34 7.33 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.54 -0.589 . . . . 99.99 111.828 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -65.36 -75.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.92 0.488 . . . . 99.99 109.788 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.46 ' H ' ' HE2' ' E' ' 231' ' ' LYS . 0.3 OUTLIER 53.66 71.91 0.47 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.307 1.043 . . . . 99.99 111.44 177.523 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' E' ' 120' ' ' TYR . 5.7 t -147.05 125.99 12.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.484 -0.932 . . . . 99.99 108.484 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -21.24 65.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.452 0.701 . . . . 99.99 112.053 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.33 -176.47 0.2 Allowed 'General case' 0 C--O 1.248 0.979 0 C-N-CA 124.635 1.174 . . . . 99.99 111.567 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 235' ' ' GLU . . . . . 0.703 ' HG2' ' HB2' ' E' ' 123' ' ' ASP . 8.0 tp10 62.79 -90.8 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.173 0.989 . . . . 99.99 111.677 172.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.0 m -161.14 156.56 24.56 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.791 1.236 . . . . 99.99 107.854 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.12 16.5 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.198 0.999 . . . . 99.99 111.413 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 60.1 m -52.04 113.56 1.05 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.813 1.245 . . . . 99.99 110.674 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 64.46 100.21 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.731 1.212 . . . . 99.99 109.631 -169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -68.9 85.31 0.21 Allowed Glycine 0 C--N 1.347 1.154 0 CA-C-N 115.969 -0.56 . . . . 99.99 112.051 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -89.55 -24.65 21.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.893 0.877 . . . . 99.99 110.933 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -67.29 -54.6 19.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.377 1.071 . . . . 99.99 109.884 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 59.42 65.76 1.12 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.541 1.136 . . . . 99.99 111.993 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -88.08 -96.32 0.96 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.381 -1.088 . . . . 99.99 110.381 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 79.59 -45.59 0.33 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.572 1.549 . . . . 99.99 113.455 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.4 m 67.27 64.21 0.43 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.957 1.303 . . . . 99.99 111.697 173.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.5 tp -90.53 -19.02 24.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.067 -0.969 . . . . 99.99 111.161 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.75 67.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.918 0.887 . . . . 99.99 112.845 -169.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.59 -44.33 36.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.869 1.268 . . . . 99.99 113.387 -170.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.21 -27.03 65.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.357 0.873 . . . . 99.99 113.357 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -66.0 -62.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.397 1.258 . . . . 99.99 114.397 -164.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -90.79 -62.57 1.42 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.427 0.899 . . . . 99.99 113.427 -168.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.99 3.31 55.52 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -162.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 254' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' E' ' 257' ' ' GLN . 1.1 mmp_? 69.83 93.74 0.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 107.323 -1.362 . . . . 99.99 107.323 -163.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.48 108.16 1.25 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.184 -0.787 . . . . 99.99 114.176 -170.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 67.3 t80 80.14 -29.41 0.13 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.702 1.601 . . . . 99.99 111.903 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 257' ' ' GLN . . . . . 0.677 ' HA ' ' HB3' ' E' ' 264' ' ' SER . 2.1 mp0 -66.76 -70.03 0.27 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.719 -0.475 . . . . 99.99 109.719 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 46.6 tp 58.71 -77.54 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.34 1.456 . . . . 99.99 112.41 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.21 6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 123.573 0.749 . . . . 99.99 110.365 -176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 19.7 m -84.77 45.06 1.11 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.515 1.126 . . . . 99.99 110.84 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 69.76 162.24 0.23 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.643 1.577 . . . . 99.99 110.825 -167.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.86 73.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.598 -0.728 . . . . 99.99 111.234 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -83.13 -17.85 41.54 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.59 -0.732 . . . . 99.99 112.343 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 264' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' E' ' 257' ' ' GLN . 84.0 p 53.31 100.94 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.174 1.39 . . . . 99.99 112.278 -172.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.41 84.67 0.81 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.109 0.564 . . . . 99.99 110.381 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -51.99 -51.19 58.94 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.059 0.944 . . . . 99.99 110.376 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 8.5 m -148.57 -76.63 0.16 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.135 -0.939 . . . . 99.99 108.904 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.8 11.3 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.352 0.661 . . . . 99.99 112.197 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 98.15 3.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.602 0.715 . . . . 99.99 110.405 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' E' ' 273' ' ' GLN . 11.5 tp10 -69.21 132.01 45.82 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.848 -1.069 . . . . 99.99 110.288 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.85 71.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.809 0.844 . . . . 99.99 110.892 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.07 -20.84 60.15 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.717 0.807 . . . . 99.99 110.533 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' E' ' 270' ' ' GLU . 72.1 mt-30 64.24 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.163 1.785 . . . . 99.99 111.279 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -78.99 24.7 0.3 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.605 1.162 . . . . 99.99 112.893 -173.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' E' ' 276' ' ' PRO . 5.2 tppp? -50.49 119.13 10.59 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 109.766 -0.457 . . . . 99.99 109.766 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' E' ' 275' ' ' LYS . 98.1 Cg_endo -102.32 95.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.888 2.392 . . . . 99.99 113.431 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 87' ' ' ALA . 7.2 tt -58.43 -46.23 86.9 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 106.784 -1.562 . . . . 99.99 106.784 161.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.439 ' HG ' HD12 ' C' ' 98' ' ' LEU . 0.3 OUTLIER -85.08 111.13 19.48 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.726 -1.579 . . . . 99.99 107.561 173.037 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -82.14 58.65 4.94 Favored Glycine 0 C--N 1.349 1.299 0 O-C-N 123.29 0.369 . . . . 99.99 113.554 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -178.36 138.59 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.357 -1.72 . . . . 99.99 106.357 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' C' ' 98' ' ' LEU . 5.0 t80 67.98 98.52 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.153 0.981 . . . . 99.99 110.854 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -155.29 -77.61 0.1 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.395 -0.965 . . . . 99.99 108.395 172.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.29 107.61 15.48 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.743 -1.206 . . . . 99.99 107.743 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -176.27 -44.82 0.06 OUTLIER Glycine 0 C--O 1.225 -0.427 0 CA-C-O 118.93 -0.928 . . . . 99.99 112.29 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 75.11 144.54 0.08 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.7 1.2 . . . . 99.99 109.607 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 93.1 mtp -108.06 122.25 41.28 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.41 -69.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.794 2.33 . . . . 99.99 111.695 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 89.8 t 55.79 96.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.003 0 O-C-N 124.563 1.165 . . . . 99.99 111.074 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 134.88 39.79 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.512 -0.767 . . . . 99.99 110.536 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.441 ' HE1' HG23 ' C' ' 40' ' ' VAL . 30.9 t-105 -69.2 139.43 54.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 73.34 104.17 0.07 OUTLIER Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.11 84.87 0.26 Allowed 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.324 2.016 . . . . 99.99 111.099 170.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -110.02 28.95 8.09 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.492 -1.231 . . . . 99.99 110.721 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.42 -176.06 0.15 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.329 1.052 . . . . 99.99 111.752 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.584 ' HA ' HD13 ' C' ' 126' ' ' LEU . 12.2 t -128.22 -6.73 5.38 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.103 0.561 . . . . 99.99 110.63 174.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -100.71 -87.44 0.38 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.095 0.558 . . . . 99.99 111.075 -176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.83 -28.05 0.19 Allowed 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.07 1.348 . . . . 99.99 112.38 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 156.88 -111.56 0.49 Allowed Glycine 0 C--N 1.361 1.946 0 N-CA-C 111.086 -0.806 . . . . 99.99 111.086 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 70.6 -65.68 0.32 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 125.62 1.568 . . . . 99.99 113.895 170.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 47.3 pt -86.01 40.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 CA-C-O 121.437 0.637 . . . . 99.99 111.82 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.27 99.91 1.24 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.869 0.867 . . . . 99.99 110.048 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 61.41 100.54 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.033 1.333 . . . . 99.99 110.93 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.32 94.48 0.14 Allowed 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.931 2.42 . . . . 99.99 110.846 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -70.64 99.48 1.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.991 -1.004 . . . . 99.99 110.502 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' D' ' 14' ' ' GLN . 66.1 t -78.61 161.85 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.068 1.347 . . . . 99.99 109.722 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 307' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' E' ' 3' ' ' GLN . 17.6 m -56.84 114.22 1.99 Allowed 'General case' 0 C--N 1.362 1.143 0 C-N-CA 123.811 0.844 . . . . 99.99 112.013 -172.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.429 ' SG ' ' HA3' ' E' ' 89' ' ' GLY . 31.1 t -105.86 21.96 16.4 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.218 1.007 . . . . 99.99 111.186 -174.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 63.7 m 66.98 106.64 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.257 1.423 . . . . 99.99 112.523 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -84.11 97.09 0.73 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.721 2.281 . . . . 99.99 112.585 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -81.71 -40.84 1.02 Allowed Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.471 -0.776 . . . . 99.99 110.819 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.09 101.62 1.12 Allowed 'Trans proline' 0 C--N 1.397 3.098 0 C-N-CA 121.663 1.575 . . . . 99.99 111.207 167.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -68.91 102.53 1.6 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.339 -0.846 . . . . 99.99 109.693 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' E' ' 314' ' ' ARG . 9.4 mmp_? -89.63 115.57 27.11 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.789 -0.641 . . . . 99.99 110.755 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 315' ' ' ASN . . . . . 0.487 HD21 ' HA ' ' E' ' 318' ' ' VAL . 7.1 t30 -153.93 82.32 1.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.445 -1.317 . . . . 99.99 107.445 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.46 -34.41 65.35 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.529 -0.76 . . . . 99.99 109.694 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 38.5 t -89.69 104.34 16.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.918 -1.037 . . . . 99.99 108.83 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 318' ' ' VAL . . . . . 0.487 ' HA ' HD21 ' E' ' 315' ' ' ASN . 33.1 m -80.64 129.51 68.18 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 122.86 0.464 . . . . 99.99 110.433 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.58 -4.9 12.41 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.53 2.153 . . . . 99.99 113.011 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 34.0 p -76.01 90.01 3.01 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.838 0.855 . . . . 99.99 109.932 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.8 tt 65.81 -81.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.966 1.306 . . . . 99.99 110.021 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.88 -82.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.339 1.456 . . . . 99.99 113.08 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.58 13.1 12.85 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.268 1.027 . . . . 99.99 111.97 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.8 ttp 75.08 129.87 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.714 1.606 . . . . 99.99 111.452 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 325' ' ' THR . . . . . 0.573 HG23 ' H ' ' E' ' 326' ' ' ASP . 2.1 t -122.33 -84.13 0.66 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.164 -1.05 . . . . 99.99 108.164 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.573 ' H ' HG23 ' E' ' 325' ' ' THR . 5.3 m-20 59.72 20.54 9.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.537 1.135 . . . . 99.99 113.9 159.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 70.33 -4.96 1.45 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.24 1.416 . . . . 99.99 111.974 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.49 61.24 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.404 1.082 . . . . 99.99 110.61 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.97 -18.24 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 115.994 -0.548 . . . . 99.99 111.677 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -81.33 -44.37 17.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.629 0.771 . . . . 99.99 110.062 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' E' ' 332' ' ' LEU . 4.2 tt -76.91 -62.44 1.64 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' E' ' 331' ' ' LEU . 1.9 mm? -86.76 74.72 9.75 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.39 -0.967 . . . . 99.99 108.39 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 67.0 p -77.63 -50.39 12.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.571 0.749 . . . . 99.99 110.216 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.661 ' HG3' ' H ' ' E' ' 336' ' ' GLU . 11.0 ptpp? -167.75 -157.38 0.22 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 107.302 -1.37 . . . . 99.99 107.302 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -63.44 -21.96 66.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.259 0.624 . . . . 99.99 111.635 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.661 ' H ' ' HG3' ' E' ' 334' ' ' LYS . 38.5 tt0 -52.0 111.72 0.66 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.934 1.294 . . . . 99.99 110.531 168.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.44 -73.65 0.64 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.87 0.868 . . . . 99.99 110.203 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 338' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 70' ' ' GLU . . . 167.01 -166.96 39.51 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 116.569 -0.287 . . . . 99.99 113.401 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 52.5 t80 67.74 96.19 0.06 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.425 1.49 . . . . 99.99 112.096 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -101.06 -69.89 0.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.849 0.86 . . . . 99.99 111.093 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 45.6 tp -161.02 143.32 12.4 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.043 0.537 . . . . 99.99 110.257 -174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 342' ' ' GLN . . . . . 0.561 ' HG3' HG13 ' E' ' 343' ' ' VAL . 29.6 pt20 -85.59 -36.6 20.29 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.637 0.775 . . . . 99.99 112.329 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 343' ' ' VAL . . . . . 0.561 HG13 ' HG3' ' E' ' 342' ' ' GLN . 28.3 m -101.43 130.55 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.173 0.589 . . . . 99.99 111.387 -175.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.67 151.93 38.86 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.881 -0.785 . . . . 99.99 108.881 171.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -62.7 102.71 0.53 Allowed Glycine 0 C--N 1.355 1.601 0 O-C-N 123.288 0.368 . . . . 99.99 112.374 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -117.04 -41.07 3.04 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 99.99 111.249 -173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 23.2 t -84.8 9.52 13.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.89 0.876 . . . . 99.99 111.921 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.09 115.66 29.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 108.955 -0.757 . . . . 99.99 108.955 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.78 139.97 40.57 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.571 0.749 . . . . 99.99 109.321 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -77.42 160.79 28.47 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 99.99 109.309 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -75.18 26.86 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.091 1.145 . . . . 99.99 114.091 -169.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.85 127.73 11.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.738 0.815 . . . . 99.99 109.295 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -95.24 -3.42 47.62 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.648 0.779 . . . . 99.99 110.046 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.93 58.0 0.21 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.431 1.492 . . . . 99.99 111.243 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -152.65 -84.1 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.0 -1.0 . . . . 99.99 109.265 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 48.91 68.59 3.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 124.858 1.263 . . . . 99.99 111.67 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 87.88 0.4 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.348 2.032 . . . . 99.99 111.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.1 t -158.6 140.26 13.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.869 0.868 . . . . 99.99 110.19 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 157.13 -154.89 25.92 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.287 0.367 . . . . 99.99 112.589 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 136.07 40.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.203 1.001 . . . . 99.99 109.343 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 8.5 tp -116.19 -39.39 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.43 0.692 . . . . 99.99 111.435 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -166.33 -40.96 0.02 OUTLIER Glycine 0 C--N 1.349 1.261 0 C-N-CA 121.453 -0.403 . . . . 99.99 112.77 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 58.5 18.34 5.62 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.337 1.455 . . . . 99.99 112.684 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 87.2 m 62.07 98.79 0.03 OUTLIER 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.861 1.265 . . . . 99.99 110.612 -166.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.89 164.56 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 122.887 0.475 . . . . 99.99 110.033 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.2 105.19 3.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.41 0.684 . . . . 99.99 111.059 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.67 -19.33 45.48 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.733 0.813 . . . . 99.99 109.599 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -25.33 61.82 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.587 0.755 . . . . 99.99 112.927 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.17 -40.42 97.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.112 0.565 . . . . 99.99 110.852 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.56 72.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.325 0.65 . . . . 99.99 111.073 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.77 -41.36 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.49 0.716 . . . . 99.99 111.044 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.84 -16.28 62.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.064 0.546 . . . . 99.99 112.092 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.54 -25.72 67.48 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.099 0.56 . . . . 99.99 110.924 173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -70.19 -24.17 63.08 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.68 0.792 . . . . 99.99 111.87 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.57 -43.0 81.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.621 -0.881 . . . . 99.99 108.621 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.68 -35.45 78.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.128 0.571 . . . . 99.99 110.637 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -67.32 -33.52 75.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.66 0.784 . . . . 99.99 109.913 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.88 61.02 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.56 0.744 . . . . 99.99 110.709 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -76.46 -24.11 53.88 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.85 0.86 . . . . 99.99 110.038 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -112.68 38.07 2.89 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.082 0.953 . . . . 99.99 108.564 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.39 154.66 39.53 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.746 -0.661 . . . . 99.99 110.662 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 162.43 -39.13 0.36 Allowed Glycine 0 C--O 1.24 0.477 0 N-CA-C 111.229 -0.748 . . . . 99.99 111.229 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 66.7 t30 63.7 12.91 6.97 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.45 1.1 . . . . 99.99 111.316 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 46.1 p -64.3 -44.57 91.23 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.58 1.152 . . . . 99.99 110.849 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 98.1 mt -137.61 155.63 48.97 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.306 1.442 . . . . 99.99 107.728 170.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.43 115.74 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 121.226 0.536 . . . . 99.99 110.02 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.9 121.77 20.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 N-CA-C 107.924 -1.139 . . . . 99.99 107.924 169.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.77 124.67 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.831 0.707 . . . . 99.99 110.303 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 132.88 49.97 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.942 -0.762 . . . . 99.99 108.942 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.76 144.71 54.29 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.152 0.581 . . . . 99.99 111.032 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.12 146.35 28.02 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.814 0.696 . . . . 99.99 110.479 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -74.0 -64.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.551 -0.749 . . . . 99.99 111.171 -170.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -147.63 90.2 1.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.926 0.49 . . . . 99.99 111.547 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -97.33 -38.01 9.82 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.851 0.46 . . . . 99.99 111.172 173.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.28 -85.21 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.983 1.313 . . . . 99.99 111.825 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 39.2 t -172.04 54.82 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 65.86 102.57 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.013 -1.106 . . . . 99.99 108.013 -168.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.44 147.49 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 112.249 0.463 . . . . 99.99 112.249 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 31.5 t 55.72 64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 124.42 1.088 . . . . 99.99 109.711 -170.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.462 ' H ' ' HD2' ' E' ' 401' ' ' PRO . . . -163.87 -48.84 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-N 114.902 -1.044 . . . . 99.99 111.646 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.462 ' HD2' ' H ' ' E' ' 400' ' ' ALA . 32.8 Cg_endo -63.05 164.25 20.07 Favored 'Trans proline' 0 C--N 1.399 3.195 0 CA-C-N 121.451 1.554 . . . . 99.99 111.902 174.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 16.4 t70 69.32 -80.37 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.787 1.235 . . . . 99.99 110.818 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.3 m 59.91 95.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.626 1.171 . . . . 99.99 111.051 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -67.55 112.97 5.0 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.33 89.63 Favored Pre-proline 0 CA--C 1.563 1.446 0 O-C-N 124.188 0.93 . . . . 99.99 112.044 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 406' ' ' PRO . . . . . 0.64 ' HB2' ' HB2' ' E' ' 411' ' ' ALA . 42.3 Cg_endo -85.8 -158.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.202 1.935 . . . . 99.99 111.504 169.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -54.45 145.56 27.25 Favored Glycine 0 C--N 1.358 1.804 0 CA-C-O 118.766 -1.019 . . . . 99.99 111.441 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.58 73.42 0.24 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.674 1.19 . . . . 99.99 113.109 -163.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.0 t 170.13 -50.76 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.076 1.75 . . . . 99.99 109.005 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 176.5 3.19 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.827 1.251 . . . . 99.99 110.332 -174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 411' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' E' ' 406' ' ' PRO . . . 70.82 111.34 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.345 1.458 . . . . 99.99 110.363 -165.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' E' ' 415' ' ' LYS . 96.2 mt -70.56 101.53 2.04 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.542 0.737 . . . . 99.99 109.392 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.12 15.64 10.11 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.985 0.914 . . . . 99.99 111.21 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 3.1 m 61.76 14.43 6.17 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.713 1.205 . . . . 99.99 112.031 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' E' ' 412' ' ' LEU . 64.1 pttt -68.02 -18.7 64.78 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.6 0.76 . . . . 99.99 111.061 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.11 -38.83 77.21 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.12 1.368 . . . . 99.99 109.676 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -95.12 41.89 2.45 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.055 -0.975 . . . . 99.99 112.029 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.42 -81.46 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.442 1.497 . . . . 99.99 111.654 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 1.6 p 55.32 8.61 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 C-N-CA 127.273 2.229 . . . . 99.99 114.463 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.7 ptm -113.89 163.31 15.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.531 0.733 . . . . 99.99 109.605 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 86.7 t 74.27 -62.52 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 125.568 1.547 . . . . 99.99 111.146 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 21.3 ttt 60.15 52.12 5.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.868 1.267 . . . . 99.99 109.882 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.4 t -69.01 139.57 54.98 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.531 -1.213 . . . . 99.99 109.334 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -74.44 -44.88 49.77 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.698 0.799 . . . . 99.99 110.843 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 61.03 29.27 70.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.815 0.697 . . . . 99.99 113.159 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 426' ' ' ASN . . . . . 0.448 ' HA ' ' HD2' ' E' ' 471' ' ' LYS . 29.2 t-20 -79.53 160.91 26.31 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.071 0.948 . . . . 99.99 110.101 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 5.2 m -49.52 -38.67 31.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.659 1.184 . . . . 99.99 112.054 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 76.11 -59.97 0.5 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.435 1.894 . . . . 99.99 110.79 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.56 2.8 8.86 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.561 1.145 . . . . 99.99 112.527 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.09 -13.11 59.49 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.817 0.847 . . . . 99.99 111.083 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 32.8 t -59.3 -17.17 26.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.872 1.269 . . . . 99.99 112.349 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -54.63 -41.84 70.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.244 1.018 . . . . 99.99 111.77 172.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 62.31 -87.69 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.75 1.281 . . . . 99.99 110.359 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -175.19 133.25 0.31 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.797 1.239 . . . . 99.99 108.13 170.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 20.5 p -91.68 -18.22 24.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.482 0.713 . . . . 99.99 112.207 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -93.25 170.77 31.8 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-O 120.008 -0.329 . . . . 99.99 112.546 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.4 p -173.16 -154.18 0.07 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.565 1.146 . . . . 99.99 108.771 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 140.04 58.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.204 0.601 . . . . 99.99 111.476 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 42.8 mt 66.29 -92.81 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.102 1.361 . . . . 99.99 109.003 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 47.32 36.87 5.18 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.716 1.376 . . . . 99.99 114.716 170.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 30.9 pt 44.89 32.41 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 126.28 1.832 . . . . 99.99 113.269 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -123.37 -37.27 2.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.414 1.086 . . . . 99.99 109.514 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -68.75 96.49 0.74 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.445 -0.798 . . . . 99.99 110.383 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -134.98 -3.13 2.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.144 0.977 . . . . 99.99 111.441 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -81.84 163.69 44.07 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.314 -0.715 . . . . 99.99 113.108 -174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -52.34 144.96 37.8 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.935 3.09 . . . . 99.99 114.549 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -106.07 20.46 18.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.634 1.174 . . . . 99.99 110.502 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 67.9 96.09 0.06 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.339 1.456 . . . . 99.99 111.517 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -151.0 24.74 0.74 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.812 0.845 . . . . 99.99 110.893 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -142.69 159.15 42.79 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.825 -0.805 . . . . 99.99 108.825 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.591 HG22 ' SD ' ' A' ' 94' ' ' MET . 66.9 t -81.31 -52.11 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.607 0.763 . . . . 99.99 110.597 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.5 m -144.35 154.55 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.953 0.501 . . . . 99.99 110.328 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.15 18.55 31.07 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 115.952 -0.567 . . . . 99.99 113.238 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.49 123.84 30.13 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.047 0.539 . . . . 99.99 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 90.9 m -147.05 136.77 23.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.924 1.29 . . . . 99.99 108.493 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.13 -72.29 0.73 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.42 0.688 . . . . 99.99 111.608 -169.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 77.67 -53.22 0.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.403 1.881 . . . . 99.99 112.156 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.591 HG23 ' H ' ' E' ' 459' ' ' ASP . 1.9 t -77.64 -76.77 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.398 0.679 . . . . 99.99 112.17 -170.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 459' ' ' ASP . . . . . 0.591 ' H ' HG23 ' E' ' 458' ' ' THR . 23.8 t70 179.59 126.56 0.07 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.942 1.697 . . . . 99.99 106.94 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.408 HD23 ' H ' ' E' ' 460' ' ' LEU . 1.6 pt? -63.34 -64.86 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.582 1.153 . . . . 99.99 112.679 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -175.81 21.65 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.901 0.88 . . . . 99.99 110.521 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.84 -114.37 0.21 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 -170.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.9 t 177.16 147.8 0.12 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.585 1.154 . . . . 99.99 109.147 -176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.695 ' SD ' HD13 ' A' ' 42' ' ' LEU . 34.9 tpp -160.02 112.64 2.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.041 0.536 . . . . 99.99 110.346 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -172.34 106.19 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.96 1.304 . . . . 99.99 109.576 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -95.15 143.46 26.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.652 -0.87 . . . . 99.99 108.652 169.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -147.37 43.22 1.11 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.557 0.694 . . . . 99.99 109.728 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' E' ' 135' ' ' VAL . 2.7 pp -60.97 -29.03 69.42 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.692 -1.14 . . . . 99.99 113.442 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 70.98 100.77 0.05 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.424 -0.67 . . . . 99.99 111.424 -176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 87.9 mt -60.8 98.11 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.168 0.587 . . . . 99.99 109.976 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.448 ' HD2' ' HA ' ' E' ' 426' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.703 0 C-N-CA 124.403 1.081 . . . . 99.99 108.931 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.693 -0.484 . . . . 99.99 109.693 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -65.83 -61.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.534 0.734 . . . . 99.99 110.499 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -158.65 151.68 22.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.446 0.698 . . . . 99.99 110.5 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.21 16.68 19.06 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 169.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.89 -79.07 0.15 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.315 1.046 . . . . 99.99 109.4 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 23.0 m120 50.05 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.253 1.421 . . . . 99.99 113.162 171.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' C' ' 149' ' ' THR . 11.9 m 54.51 -94.39 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 125.184 1.393 . . . . 99.99 111.451 -173.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 46.12 54.59 8.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.748 1.219 . . . . 99.99 112.222 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.432 ' HB3' HG23 ' A' ' 89' ' ' ILE . 24.0 ptt? -85.36 168.26 14.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.345 -1.298 . . . . 99.99 111.591 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -140.34 140.09 35.52 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.084 0.953 . . . . 99.99 109.258 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.586 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.2 t80 -138.62 134.64 33.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.601 0.76 . . . . 99.99 110.266 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -156.8 117.43 3.63 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.015 0.926 . . . . 99.99 109.203 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.486 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 87.02 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 27.8 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 12.57 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 37.56 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 5.43 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 6.92 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 5.61 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 12.68 109.188 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 32.78 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' HD23 ' E' ' 470' ' ' LEU . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 57.34 111.083 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 48.36 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HE2' ' HB3' ' E' ' 437' ' ' SER . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' E' ' 467' ' ' ALA . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 97.85 109.401 176.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' E' ' 460' ' ' LEU . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 43.33 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 41.53 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' HB2' ' HB ' ' E' ' 452' ' ' VAL . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 88.8 109.966 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 73.87 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.533 ' HB3' HG11 ' E' ' 452' ' ' VAL . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.04 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HB ' ' HE1' ' A' ' 84' ' ' PHE . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 54.22 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 29.36 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 19.86 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 13.6 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 17.22 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 14.92 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 21.43 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 23.61 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 57.75 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 93.1 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG22 ' E' ' 165' ' ' THR . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 30.12 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 22.88 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 30.01 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 14.44 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 9.47 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 20.02 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.545 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 66.87 108.665 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.586 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m -77.32 92.37 3.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.3 141.32 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.96 0.904 . . . . 99.99 110.823 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.22 170.94 3.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.742 1.217 . . . . 99.99 109.813 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.28 59.38 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.655 0.597 . . . . 99.99 112.559 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 9' ' ' MET . 1.3 pp -132.09 139.49 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.77 0.828 . . . . 99.99 111.204 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -134.36 173.73 11.3 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.839 0.855 . . . . 99.99 110.878 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.49 7.89 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 115.319 -0.855 . . . . 99.99 114.882 172.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 t -77.85 -35.98 50.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 99.99 110.815 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 96' ' ' HIS . 47.9 tp60 -68.97 -36.2 77.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.965 0.506 . . . . 99.99 111.408 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 23.0 ptm -66.26 -43.92 85.13 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 172.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.62 66.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.745 0.818 . . . . 99.99 111.725 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 93' ' ' GLN . 57.6 m-70 -65.86 -47.64 74.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.885 -0.598 . . . . 99.99 109.992 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.4 t -69.88 -65.57 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.508 0.505 . . . . 99.99 110.987 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD22 HG12 ' E' ' 452' ' ' VAL . 2.7 pp -72.76 -16.38 61.64 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 -173.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 95.56 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 94.48 111.983 -171.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 73.2 112.595 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 48.9 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 94.19 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 55.88 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 21.71 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 15.39 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 9.95 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 20.66 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 7.34 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 15.45 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 4.41 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.4 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 7.34 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 125' ' ' GLN . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 7.28 110.239 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 4.96 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 48.88 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 26.6 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 17.97 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 8.38 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 20.1 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 13.71 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 20.05 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 115' ' ' THR . 7.1 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 56.76 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 62.97 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 56.46 113.047 -171.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 129' ' ' ALA . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 77.42 112.303 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 111.94 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -109.79 108.1 18.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.789 0.836 . . . . 99.99 109.908 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -73.4 -16.22 61.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.144 0.497 . . . . 99.99 111.362 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.28 -33.2 75.42 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.806 0.842 . . . . 99.99 111.051 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.55 -51.87 67.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.77 0.828 . . . . 99.99 112.735 -172.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.667 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.06 -26.88 65.19 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 111.773 0.286 . . . . 99.99 111.773 -177.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.76 -26.56 44.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.815 0.446 . . . . 99.99 111.779 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.4 mmt -65.72 -39.76 91.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.663 -0.495 . . . . 99.99 109.663 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 85.5 m-20 -63.05 -35.57 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 124.403 1.064 . . . . 99.99 111.477 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -80.44 -42.01 23.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.241 0.617 . . . . 99.99 111.275 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.52 -40.88 85.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.471 0.709 . . . . 99.99 111.771 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' C' ' 150' ' ' GLU . 59.3 tp60 -157.51 -13.23 0.08 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.578 0.584 . . . . 99.99 112.578 -170.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 51.3 tp60 62.08 -168.27 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.371 0.668 . . . . 99.99 109.298 -168.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 143' ' ' GLN . 29.6 tt0 -55.51 134.23 50.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 166.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.93 52.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.04 1.336 . . . . 99.99 113.171 -167.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.95 57.28 0.06 OUTLIER Glycine 0 N--CA 1.471 1.004 0 CA-C-N 116.505 -0.316 . . . . 99.99 112.442 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.73 -46.75 29.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.375 0.67 . . . . 99.99 110.285 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.9 138.59 3.73 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.532 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 29.9 m -71.32 -39.05 71.64 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.139 0.576 . . . . 99.99 110.058 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -77.77 -58.43 3.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.81 0.844 . . . . 99.99 109.164 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.49 -54.63 44.36 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.098 0.959 . . . . 99.99 112.23 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.459 ' CD2' HE22 ' C' ' 144' ' ' GLN . 5.9 t60 62.41 37.21 13.77 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.26 1.024 . . . . 99.99 110.909 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 63.67 -82.78 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.087 1.355 . . . . 99.99 111.768 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -142.72 -66.31 0.39 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.615 0.766 . . . . 99.99 109.004 -175.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 CA-C-O 118.692 -0.67 . . . . 99.99 111.143 -179.795 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.47 ' SD ' ' HG2' ' E' ' 404' ' ' LYS . 57.9 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 108.48 -0.933 . . . . 99.99 108.48 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 64.5 100.04 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.384 1.073 . . . . 99.99 110.921 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HG2' HD13 ' E' ' 408' ' ' LEU . 28.9 mm-40 -88.67 5.84 41.27 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.477 0.547 . . . . 99.99 112.477 -170.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 71.03 5.4 5.47 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.186 1.394 . . . . 99.99 113.028 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 63.8 -70.47 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.16 1.384 . . . . 99.99 111.908 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 64.75 21.67 12.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.734 1.213 . . . . 99.99 111.63 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.8 m -138.71 147.04 42.26 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.7 0.8 . . . . 99.99 110.032 -172.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -67.49 91.14 0.26 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.021 0.929 . . . . 99.99 109.455 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' B' ' 10' ' ' THR . 1.0 OUTLIER 65.93 170.38 0.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.884 1.274 . . . . 99.99 109.838 -170.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 87.3 m -135.27 118.8 16.93 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.049 -1.032 . . . . 99.99 108.629 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.567 ' HZ ' ' HG ' ' B' ' 102' ' ' CYS . 0.9 OUTLIER -138.22 122.82 18.57 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 93.55 108.356 178.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.492 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 40.88 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 85.25 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 95.33 110.97 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 13.6 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 23.1 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.445 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 6.51 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 19.94 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 5.14 108.998 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 19.25 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 9.84 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 18.09 107.048 173.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 49.39 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.653 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' B' ' 123' ' ' PHE . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 98.87 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 72.1 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.513 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 96.73 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 67.27 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.51 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 66.97 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 35.64 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 74.75 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 43.74 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 89.61 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 85.91 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 76.71 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 98.07 108.566 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 57.34 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 21.57 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 62.33 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.51 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 95.32 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 14.84 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 28.15 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 18.14 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 24.35 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 26.44 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.571 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 56.64 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 62.67 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 81.37 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.403 HG21 HD21 ' B' ' 75' ' ' LEU . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 33.32 111.219 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.571 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 25.99 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 18.76 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 16.93 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 12.76 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 8.91 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 33.15 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.538 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 11.78 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 39.34 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.492 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 63.88 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 82.93 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' B' ' 10' ' ' THR . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 98.2 111.234 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.646 ' HA ' ' HB1' ' E' ' 21' ' ' ALA . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.483 ' HG3' HD12 ' B' ' 98' ' ' LEU . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.607 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 71.23 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 59.87 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 71.19 111.579 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.607 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 50.37 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 36.29 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 87.59 111.772 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 37.19 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 13.07 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 10.37 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 12.29 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 8.75 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 59.14 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 13.3 111.203 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.574 HG23 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 9.86 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' THR . . . . . 0.425 HG21 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 13.13 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.02 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.582 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 26.78 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 13.3 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 29.79 112.615 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 23.15 112.692 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' B' ' 31' ' ' VAL . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 23.84 110.958 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 29.89 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.489 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.415 HD11 HD13 ' E' ' 6' ' ' ILE . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 72.13 106.524 170.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 73.04 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 90.81 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 43.15 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 61.27 111.193 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.495 ' HA ' HG11 ' E' ' 306' ' ' VAL . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.57 110.966 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -92.18 71.68 5.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.521 ' HE2' ' HA ' ' E' ' 10' ' ' LEU . 69.0 t80 -71.3 -19.43 62.33 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.379 -0.828 . . . . 99.99 110.149 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.44 -45.92 56.26 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.965 1.306 . . . . 99.99 110.668 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.35 68.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.56 -1.2 . . . . 99.99 112.665 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.33 -56.08 16.89 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.884 0.874 . . . . 99.99 109.994 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -80.68 -12.93 59.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.84 0.456 . . . . 99.99 111.767 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.67 -17.09 64.02 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.917 0.487 . . . . 99.99 111.23 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -73.6 -17.54 61.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.361 0.264 . . . . 99.99 110.572 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' TYR . . . . . 0.484 ' OH ' ' HA ' ' E' ' 30' ' ' GLU . 57.7 t80 -78.39 -41.7 32.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.375 -0.602 . . . . 99.99 109.375 170.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.72 -5.76 47.26 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.096 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.52 92.35 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.776 0.831 . . . . 99.99 109.194 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' E' ' 37' ' ' ASP . 58.1 tp60 -94.56 151.66 19.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.389 0.676 . . . . 99.99 109.625 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.58 -59.71 4.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.611 0.765 . . . . 99.99 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' E' ' 45' ' ' ARG . . . -145.5 13.28 1.37 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.538 -0.755 . . . . 99.99 112.028 -170.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' E' ' 37' ' ' ASP . . . 70.3 144.75 0.25 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 113.868 0.307 . . . . 99.99 113.868 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -153.67 103.04 2.59 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.658 0.729 . . . . 99.99 111.091 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.48 107.07 3.37 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.1 m -74.23 146.12 43.55 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.55 0.74 . . . . 99.99 110.423 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.507 ' HG2' ' H ' ' B' ' 151' ' ' GLU . 20.1 tt0 60.83 -150.7 0.41 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.055 0.942 . . . . 99.99 109.211 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.507 ' H ' ' HG2' ' B' ' 150' ' ' GLU . 35.1 tt0 71.62 -68.17 0.23 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.866 1.267 . . . . 99.99 112.371 173.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.407 ' HB3' ' OE1' ' E' ' 51' ' ' GLN . 8.8 p80 -106.2 95.18 5.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.85 1.26 . . . . 99.99 109.858 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -168.49 140.97 2.87 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.775 0.83 . . . . 99.99 110.206 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -168.17 118.73 0.79 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.236 1.014 . . . . 99.99 108.587 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' E' ' 376' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.729 -0.841 . . . . 99.99 108.729 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.234 0.087 . . . . 99.99 111.234 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m 61.51 -77.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.297 1.439 . . . . 99.99 111.242 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -74.61 -12.73 60.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.147 0.979 . . . . 99.99 111.434 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 70.59 18.91 6.32 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.378 1.471 . . . . 99.99 110.314 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -126.84 149.19 49.85 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.654 1.182 . . . . 99.99 108.123 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.3 19.01 3.4 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.595 0.758 . . . . 99.99 112.113 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.2 m 58.41 93.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.167 . . . . 99.99 111.076 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -82.28 66.38 7.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.593 0.757 . . . . 99.99 110.024 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.457 ' SD ' ' HG3' ' C' ' 94' ' ' MET . 3.3 mpp? 62.45 157.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.316 1.846 . . . . 99.99 114.34 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -104.58 104.46 14.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.578 -1.192 . . . . 99.99 108.5 174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 -94.51 140.54 29.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.18 0.592 . . . . 99.99 110.958 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.565 HD12 ' H ' ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 56.3 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 14.9 mm100 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 93.16 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 11.74 108.489 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 6.91 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 21.95 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.802 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 5.12 106.827 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 9.28 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 8.82 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 12.04 107.905 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 30.41 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.563 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 48.75 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 55.24 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 88.6 110.954 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASP . . . . . 0.436 ' O ' HD21 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.605 ' HB3' ' H ' ' E' ' 298' ' ' HIS . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' E' ' 294' ' ' LYS . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 68.93 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 87.15 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 94.05 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 71.87 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 62.96 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' E' ' 282' ' ' ALA . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 35.73 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 56.22 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 43.42 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' D' ' 29' ' ' PRO . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 94.06 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 81.86 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' C' ' 51' ' ' LEU . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 29.6 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 20.9 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 69.19 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 14.53 107.752 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.42 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.545 HG11 HD11 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 17.7 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 29.53 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 32.22 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 59.66 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.436 HD21 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 97.29 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 76.35 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 37.0 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 34.06 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 39.96 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 16.54 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 9.25 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.802 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 25.23 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 10.6 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 30.38 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt -142.3 139.67 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.52 119.77 2.7 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.798 -1.186 . . . . 99.99 107.798 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.09 -77.88 0.07 OUTLIER Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.552 -0.619 . . . . 99.99 111.552 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.472 HD11 ' HG ' ' E' ' 277' ' ' LEU . 45.4 mm 62.03 99.72 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.203 1.001 . . . . 99.99 110.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -154.34 31.39 0.43 Allowed 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.153 0.502 . . . . 99.99 111.194 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.58 -110.46 2.99 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.623 -0.717 . . . . 99.99 114.389 168.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 50.8 p -65.47 -40.52 93.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.575 1.15 . . . . 99.99 111.515 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -61.51 -43.32 99.07 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.729 0.643 . . . . 99.99 109.746 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.457 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 26.5 ttt -58.48 -47.5 83.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.8 -0.636 . . . . 99.99 111.076 174.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.35 -25.41 67.58 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.931 0.892 . . . . 99.99 112.48 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -69.83 -58.02 4.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.258 0.623 . . . . 99.99 110.612 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' C' ' 11' ' ' PHE . 48.9 t -66.83 -34.94 78.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.203 0.601 . . . . 99.99 111.618 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 94' ' ' MET . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 68.51 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 56.52 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.627 ' HB3' HG21 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 56.59 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.437 ' HB3' ' HZ ' ' E' ' 281' ' ' PHE . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 39.21 113.494 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 8.71 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' C' ' 82' ' ' GLY . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 37.06 112.382 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 16.74 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 9.85 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 5.88 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 7.64 110.43 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 20.64 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 13.9 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 8.58 111.414 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 8.54 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 6.56 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.565 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 5.22 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.489 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 28.53 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' SER . . . . . 0.425 ' OG ' HG21 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 17.6 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 15.17 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.563 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 24.81 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 29.42 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.439 ' HG2' ' HG3' ' B' ' 125' ' ' GLN . 15.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.545 HD11 HG11 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 59.85 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 41.85 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 38.57 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 24.62 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 24.48 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 68.05 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -60.63 -26.5 67.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.21 -28.27 69.25 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.975 0.91 . . . . 99.99 111.579 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -61.36 -23.58 65.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.489 0.716 . . . . 99.99 112.75 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.777 0.831 . . . . 99.99 109.646 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -81.4 -38.48 26.48 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.64 0.776 . . . . 99.99 111.104 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' MET . . . . . 0.537 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 1.4 tmt? -69.03 -45.0 71.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.383 1.073 . . . . 99.99 112.356 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.16 -35.8 80.46 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.585 0.231 . . . . 99.99 110.572 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.2 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.93 1.292 . . . . 99.99 109.542 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 93.3 mt -74.83 96.84 3.17 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -79.79 -179.96 7.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 99.99 111.628 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 70.02 -91.5 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.873 1.269 . . . . 99.99 110.434 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 144' ' ' GLN . . . . . 0.459 HE22 ' CD2' ' A' ' 152' ' ' HIS . 16.6 mm100 52.6 42.53 31.51 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.417 1.087 . . . . 99.99 112.76 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 66.73 21.81 10.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.599 1.16 . . . . 99.99 112.377 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -88.02 38.76 3.15 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 116.391 -0.368 . . . . 99.99 112.543 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -83.39 -31.25 26.79 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 123.995 0.918 . . . . 99.99 109.659 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.4 84.99 0.16 Allowed Glycine 0 C--N 1.35 1.327 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' THR . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 12.9 t -171.77 -42.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.768 0.427 . . . . 99.99 109.99 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 150' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 142' ' ' GLN . 9.6 tp10 -72.08 -6.96 46.14 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.687 0.795 . . . . 99.99 112.213 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.7 -12.42 46.45 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.15 0.98 . . . . 99.99 111.903 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 83.84 -34.82 0.07 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.748 1.619 . . . . 99.99 112.158 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 153' ' ' GLN . . . . . 0.499 HE22 ' HB2' ' C' ' 155' ' ' ALA . 0.8 OUTLIER 74.83 -69.44 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.23 1.412 . . . . 99.99 111.035 172.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.6 t70 80.16 -36.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.1 1.36 . . . . 99.99 113.811 166.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.499 ' HB2' HE22 ' C' ' 153' ' ' GLN . . . . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.614 1.166 . . . . 99.99 111.903 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.425 ' SD ' ' HA2' ' E' ' 211' ' ' GLY . 1.3 tmt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -75.02 -147.05 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.198 0.999 . . . . 99.99 111.276 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -20.13 53.63 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.893 0.477 . . . . 99.99 110.331 168.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.31 80.66 2.4 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.412 0.685 . . . . 99.99 111.297 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -145.43 -74.96 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.37 -0.974 . . . . 99.99 108.37 166.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.33 174.97 0.19 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.965 1.306 . . . . 99.99 113.083 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -127.0 -52.55 1.42 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.101 0.96 . . . . 99.99 108.609 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 58.95 -166.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.149 1.38 . . . . 99.99 112.722 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' E' ' 89' ' ' GLY . 27.2 ttt -32.12 145.95 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.562 1.545 . . . . 99.99 113.816 165.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p -108.76 142.8 38.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.694 0.798 . . . . 99.99 109.413 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 76.43 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' D' ' 105' ' ' ILE . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 79.46 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 53.22 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.482 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 19.87 112.494 -165.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 8.43 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 36.9 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.565 HD13 ' HE3' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 4.02 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 7.64 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 5.08 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.806 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 7.19 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 13.41 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.806 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 12.01 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 20.55 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 22.26 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 34.6 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 31.63 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 49.29 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.451 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 31.29 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 52.79 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 74.77 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 66.01 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 77.52 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 38.8 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 48.36 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 52.73 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.71 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 82.32 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 96.95 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 82.8 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 44.56 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.562 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 19.48 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 52.2 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 9.25 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 10.79 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 9.72 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 19.36 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 11.33 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.562 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 29.87 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 24.97 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 27.84 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 11.35 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 10.67 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 74' ' ' PHE . . . . . 0.451 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 7.73 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 11.05 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 5.05 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 21.68 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.437 ' O ' HD13 ' D' ' 106' ' ' LEU . 67.5 tp60 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.29 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 43.57 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 77.58 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 88.57 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.674 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 88.9 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 95.17 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.638 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 66.02 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 54.11 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.427 ' HE1' HG21 ' E' ' 309' ' ' THR . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 40.76 112.2 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 34.31 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 28.69 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 61.29 110.277 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.506 HG21 HD13 ' D' ' 13' ' ' ILE . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 19.65 110.429 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 13.09 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 10.47 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 6.22 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 10.48 111.592 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 4.16 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 10.22 110.462 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.39 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.664 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 5.37 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 7.06 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 6.71 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 5.08 111.803 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 5.65 110.465 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 10.21 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 6.99 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 18.26 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.617 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 20.06 112.746 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 16.85 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.444 HD12 ' HB1' ' E' ' 126' ' ' ALA . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 14.84 109.538 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 76.73 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 20.32 109.352 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 28.37 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 32.68 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 69.78 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.26 -53.4 35.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.67 95.67 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.667 0.787 . . . . 99.99 111.353 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' D' ' 139' ' ' ASN . 31.7 tp -76.15 -24.43 54.84 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.316 -0.856 . . . . 99.99 111.279 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -80.04 -46.38 16.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.814 0.445 . . . . 99.99 110.177 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 65.8 mtm -68.04 -20.64 65.01 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 99.99 111.085 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 139' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' D' ' 143' ' ' GLN . 4.1 t30 -55.46 -40.62 71.85 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.616 1.167 . . . . 99.99 111.302 169.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -69.95 -38.38 76.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.09 0.556 . . . . 99.99 112.4 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.71 -39.39 80.68 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.29 0.636 . . . . 99.99 111.297 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 142' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' E' ' 117' ' ' LYS . 10.7 pt20 -88.62 3.23 51.3 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.156 -0.929 . . . . 99.99 112.546 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 143' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 139' ' ' ASN . 12.0 pt20 -139.72 42.43 1.99 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.423 0.689 . . . . 99.99 109.538 172.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.36 94.75 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -172.39 -38.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.994 . . . . 99.99 109.699 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.94 -69.13 3.13 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 110.517 -1.033 . . . . 99.99 110.517 -171.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 71.74 -74.71 0.08 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.415 1.486 . . . . 99.99 111.851 170.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -163.32 -155.99 8.42 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 81.2 p 48.68 30.27 2.5 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.219 1.407 . . . . 99.99 113.061 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -76.53 158.48 31.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.032 0.933 . . . . 99.99 109.628 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 58.24 43.17 20.7 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.801 . . . . 99.99 108.91 -165.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -61.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 114.041 -1.436 . . . . 99.99 109.858 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 55.81 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.162 1.385 . . . . 99.99 113.75 166.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.17 -32.78 13.57 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.541 1.136 . . . . 99.99 110.783 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 124.066 0.946 . . . . 99.99 110.845 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.666 0.27 . . . . 99.99 110.765 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -119.89 161.11 21.39 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 69.31 160.57 0.2 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.588 1.155 . . . . 99.99 112.155 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' SER . . . . . 0.414 ' OG ' HG13 ' E' ' 306' ' ' VAL . 66.2 m -145.54 140.33 27.37 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.551 0.74 . . . . 99.99 110.687 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 16.8 m 56.25 -77.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 126.125 1.77 . . . . 99.99 112.401 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.415 HD13 HD11 ' B' ' 126' ' ' LEU . 5.2 tt -171.58 137.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.885 1.274 . . . . 99.99 108.633 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 179.96 -159.95 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.811 1.244 . . . . 99.99 108.636 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.652 HD23 ' H ' ' E' ' 8' ' ' LEU . 0.3 OUTLIER -50.89 100.46 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.755 0.822 . . . . 99.99 111.277 172.037 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.07 -54.86 11.24 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.752 -1.113 . . . . 99.99 110.932 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.521 ' HA ' ' HE2' ' B' ' 133' ' ' PHE . 1.5 tt -157.28 117.75 3.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.459 -0.791 . . . . 99.99 109.313 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.491 HD23 ' HD1' ' E' ' 15' ' ' PHE . 8.2 mp -68.79 116.26 39.29 Favored Pre-proline 0 N--CA 1.477 0.875 0 N-CA-C 108.203 -1.036 . . . . 99.99 108.203 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -39.85 81.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.976 3.784 . . . . 99.99 116.275 -163.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 62.08 -10.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.931 1.692 . . . . 99.99 115.278 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp 174.3 141.59 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.185 1.394 . . . . 99.99 107.893 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.491 ' HD1' HD23 ' E' ' 11' ' ' LEU . 41.7 t80 -75.13 153.38 38.28 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 96.6 m -57.37 114.33 8.01 Favored Pre-proline 0 N--CA 1.487 1.406 0 CA-C-O 119.052 -0.499 . . . . 99.99 110.976 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -48.72 106.34 0.11 Allowed 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 124.0 3.133 . . . . 99.99 113.048 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.76 -57.4 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 114.6 -1.182 . . . . 99.99 111.457 -166.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -98.15 31.17 2.83 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.55 1.14 . . . . 99.99 108.045 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 55.96 47.1 20.64 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.489 1.115 . . . . 99.99 108.736 -168.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.646 ' HB1' ' HA ' ' B' ' 90' ' ' GLU . . . -66.48 82.47 0.09 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 113.076 -1.875 . . . . 99.99 112.164 -170.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.609 ' HG3' HG21 ' E' ' 28' ' ' VAL . 1.1 mpt_? -129.81 137.63 50.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.291 1.436 . . . . 99.99 108.086 173.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.68 122.63 86.42 Favored Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 107.093 -1.447 . . . . 99.99 107.093 168.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.74 121.2 6.2 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.102 2.535 . . . . 99.99 114.264 -164.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 46.5 31.8 1.43 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.236 1.815 . . . . 99.99 113.659 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.5 mtt -94.6 158.47 35.39 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 109.155 -0.683 . . . . 99.99 109.155 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.87 -25.83 78.32 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 123.235 2.623 . . . . 99.99 114.128 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.609 HG21 ' HG3' ' E' ' 22' ' ' ARG . 48.2 t 62.69 78.75 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.773 1.229 . . . . 99.99 110.847 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -143.74 -56.89 0.39 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 106.536 -1.653 . . . . 99.99 106.536 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' OH ' ' B' ' 140' ' ' TYR . 1.1 pm0 -81.31 -45.87 15.55 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.418 -1.265 . . . . 99.99 111.278 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t30 59.85 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.934 1.293 . . . . 99.99 112.781 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -141.17 146.01 36.42 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.839 -0.8 . . . . 99.99 108.839 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 74.32 -57.68 0.61 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.347 1.459 . . . . 99.99 109.237 -167.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.24 -85.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.011 1.325 . . . . 99.99 112.445 166.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.97 9.25 5.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.797 0.839 . . . . 99.99 110.93 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -140.96 56.11 0.61 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.201 -0.759 . . . . 99.99 111.201 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' ASP . . . . . 0.42 ' O ' ' HA2' ' B' ' 146' ' ' GLY . 25.5 t70 -80.78 159.86 25.03 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.599 0.759 . . . . 99.99 110.833 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 39.4 pt -112.7 32.51 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 113.062 0.764 . . . . 99.99 113.062 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 1.5 p -64.39 -18.68 64.92 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.602 0.593 . . . . 99.99 112.602 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.31 82.47 11.83 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 123.44 0.696 . . . . 99.99 110.013 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -96.33 -4.56 1.64 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.011 2.474 . . . . 99.99 113.507 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.34 -111.83 0.13 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-O 119.297 -0.724 . . . . 99.99 111.611 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -84.63 0.2 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 111.087 -0.805 . . . . 99.99 111.087 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 68.69 -71.85 0.11 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.338 1.455 . . . . 99.99 112.694 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 45' ' ' ARG . . . . . 0.467 ' HG3' ' HB1' ' B' ' 145' ' ' ALA . 64.9 mtm180 -126.05 33.01 5.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.977 0.911 . . . . 99.99 109.624 171.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 63.24 43.53 6.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.698 1.199 . . . . 99.99 111.906 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.16 -42.09 76.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 106.687 -1.597 . . . . 99.99 106.687 163.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 4.0 m 65.59 11.46 7.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 125.251 1.421 . . . . 99.99 111.947 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.05 30.9 72.0 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-O 119.911 -0.383 . . . . 99.99 112.828 -171.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.89 -62.3 1.91 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.796 1.238 . . . . 99.99 111.823 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 152' ' ' HIS . 27.9 tt0 -67.14 -49.13 65.91 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.954 -0.566 . . . . 99.99 110.199 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 72.5 p -64.9 -16.8 63.69 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.845 0.858 . . . . 99.99 113.291 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.52 70.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.457 0.703 . . . . 99.99 112.339 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.6 -48.19 0.1 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.206 0.602 . . . . 99.99 111.014 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' E' ' 59' ' ' LEU . 61.7 mt -66.03 96.72 0.33 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.146 0.579 . . . . 99.99 111.197 -174.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -158.44 -154.4 0.43 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.565 1.146 . . . . 99.99 107.943 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 66.59 11.11 7.91 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.195 0.998 . . . . 99.99 110.977 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 35.3 t -168.03 -60.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.478 1.111 . . . . 99.99 108.241 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 59' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' E' ' 55' ' ' LEU . 97.3 mt -65.3 -64.27 0.9 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 124.105 0.878 . . . . 99.99 110.032 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.2 m -93.5 103.52 15.71 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.063 0.545 . . . . 99.99 109.745 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -137.47 78.92 1.72 Allowed 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 122.51 1.148 . . . . 99.99 109.553 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.572 ' H ' ' HB3' ' E' ' 317' ' ' SER . 69.2 mmtt -94.92 144.6 28.09 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 114.617 -1.174 . . . . 99.99 111.6 -172.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 99.88 1.31 Allowed 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 123.247 2.631 . . . . 99.99 112.789 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.37 170.91 10.54 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.641 0.776 . . . . 99.99 110.73 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.752 ' HE2' ' HB3' ' E' ' 79' ' ' GLU . 0.0 OUTLIER -77.17 89.56 3.66 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 174.418 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -79.18 76.65 5.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.367 1.08 . . . . 99.99 108.651 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.21 -26.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 113.958 -1.474 . . . . 99.99 110.247 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 mp 76.45 -43.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 125.496 1.519 . . . . 99.99 110.658 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 mt -72.36 83.34 1.06 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.561 0.744 . . . . 99.99 109.968 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.83 100.25 11.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.925 0.49 . . . . 99.99 109.852 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 -46.23 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.18 167.22 39.22 Favored Glycine 0 C--N 1.34 0.754 0 N-CA-C 111.351 -0.699 . . . . 99.99 111.351 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.33 91.61 0.24 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.946 -1.502 . . . . 99.99 106.946 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.21 102.43 0.21 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 115.688 1.035 . . . . 99.99 115.688 -164.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.87 31.96 16.05 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.65 1.18 . . . . 99.99 112.735 176.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.27 77.41 1.19 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -101.76 -39.41 7.43 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.93 0.892 . . . . 99.99 109.749 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.0 p -75.02 -32.3 61.57 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.246 0.546 . . . . 99.99 109.574 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.752 ' HB3' ' HE2' ' E' ' 65' ' ' LYS . 42.1 mt-10 -76.87 -24.91 52.58 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.758 1.223 . . . . 99.99 111.498 175.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 34.2 mt 60.45 73.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 125.253 1.421 . . . . 99.99 111.901 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.474 HG21 ' HB2' ' E' ' 65' ' ' LYS . 0.8 OUTLIER -155.71 111.72 3.09 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.953 0.901 . . . . 99.99 109.931 178.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.68 145.06 36.03 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.735 0.814 . . . . 99.99 109.479 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.14 29.41 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.471 0.708 . . . . 99.99 110.617 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 65.46 33.45 8.79 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.353 1.061 . . . . 99.99 110.141 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.25 98.79 4.55 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.651 -0.704 . . . . 99.99 110.61 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -78.63 91.02 4.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.073 0.549 . . . . 99.99 110.194 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.4 35.2 0.07 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.656 0.782 . . . . 99.99 111.288 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.89 91.43 1.18 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.674 -0.491 . . . . 99.99 109.674 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 89' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' D' ' 9' ' ' MET . . . 156.94 166.0 15.82 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 116.426 -0.352 . . . . 99.99 113.646 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.57 128.92 17.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.639 0.775 . . . . 99.99 109.76 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.99 147.85 5.08 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 111.698 -0.561 . . . . 99.99 111.698 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -90.0 -120.62 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 116.646 0.223 . . . . 99.99 113.487 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -81.63 95.7 7.27 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.046 0.938 . . . . 99.99 110.991 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -115.6 118.84 34.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.851 0.86 . . . . 99.99 109.645 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -64.86 121.6 14.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.982 -0.747 . . . . 99.99 108.982 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.06 -44.6 0.04 OUTLIER Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.212 -0.449 . . . . 99.99 112.155 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.468 HG21 HD22 ' E' ' 100' ' ' LEU . 30.3 mt -71.79 -73.19 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.482 0.713 . . . . 99.99 110.815 176.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.98 -72.51 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.288 1.435 . . . . 99.99 110.444 -166.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.42 86.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.851 0.86 . . . . 99.99 111.113 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.468 HD22 HG21 ' E' ' 97' ' ' ILE . 0.1 OUTLIER -76.0 113.99 32.9 Favored Pre-proline 0 CA--C 1.561 1.385 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.49 179.57 5.69 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.389 2.059 . . . . 99.99 113.361 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . 0.262 3.1 pp 51.52 17.53 0.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 126.624 1.969 . . . . 99.99 114.667 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 61.6 p -88.37 -27.18 21.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.477 0.711 . . . . 99.99 111.194 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.64 96.3 0.25 Allowed Glycine 0 C--N 1.352 1.432 0 CA-C-O 119.436 -0.647 . . . . 99.99 112.494 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 70.11 148.29 0.07 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.15 1.38 . . . . 99.99 111.407 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -70.01 128.82 37.66 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 5.7 t -54.48 139.41 37.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.643 0.777 . . . . 99.99 112.326 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -63.82 -18.68 64.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.982 0.913 . . . . 99.99 112.079 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.22 -37.2 86.63 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 99.99 110.425 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.15 8.07 3.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.014 1.326 . . . . 99.99 114.035 171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 21.0 tp 60.34 20.89 10.43 Favored 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 125.572 1.549 . . . . 99.99 112.129 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -118.72 -175.36 2.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.547 0.739 . . . . 99.99 109.028 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 113' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' E' ' 113' ' ' LYS . 11.3 mmpt? 70.33 99.4 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.77 1.228 . . . . 99.99 111.06 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -120.94 62.76 0.87 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 87.4 m -63.86 -43.25 96.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.122 0.969 . . . . 99.99 112.133 -173.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -164.77 34.39 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.374 -0.681 . . . . 99.99 112.096 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 117' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' E' ' 117' ' ' LYS 0.303 56.5 mmtt 93.68 -73.94 0.0 OUTLIER Pre-proline 0 CA--C 1.574 1.897 0 C-N-CA 127.112 2.165 . . . . 99.99 113.36 -177.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.75 -19.83 3.97 Favored 'Trans proline' 0 C--N 1.392 2.827 0 CA-C-N 123.459 2.271 . . . . 99.99 113.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 62.98 111.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.258 1.023 . . . . 99.99 111.249 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -149.86 145.31 26.48 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 109.385 -0.598 . . . . 99.99 109.385 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 91.3 t 68.32 92.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.834 1.254 . . . . 99.99 110.297 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 33.5 p -126.06 162.58 24.97 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.985 0.914 . . . . 99.99 109.629 173.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.63 97.88 0.83 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.549 0.739 . . . . 99.99 110.031 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 31.8 p -149.78 138.05 20.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.63 0.772 . . . . 99.99 109.417 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.72 -171.44 0.18 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.688 1.195 . . . . 99.99 111.421 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 126' ' ' ALA . . . . . 0.444 ' HB1' HD12 ' D' ' 126' ' ' LEU . . . 62.02 76.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.879 0.872 . . . . 96.83 111.714 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 37.3 p -148.64 17.76 1.02 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.369 0.667 . . . . 99.99 111.522 -177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.8 93.46 2.62 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.142 0.577 . . . . 74.48 109.75 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.617 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 21.6 p -70.11 136.11 49.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.417 0.687 . . . . 99.99 112.427 -174.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.85 148.32 29.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.731 1.212 . . . . 99.99 109.241 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -155.6 179.29 9.33 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.245 0.618 . . . . 99.99 110.187 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 22.9 t -116.41 120.13 37.84 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.939 0.896 . . . . 99.99 109.63 172.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 13.1 t -70.0 150.52 46.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.428 -0.582 . . . . 99.99 109.428 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.9 161.85 27.66 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 123.368 0.418 . . . . 89.58 113.389 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' C' ' 13' ' ' ILE . 2.3 m -85.29 -8.11 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.064 0.545 . . . . 99.99 110.847 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.7 tttt 75.13 -73.71 0.09 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 125.496 1.518 . . . . 99.99 110.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 13.3 t -173.34 175.68 3.04 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.637 1.175 . . . . 99.99 108.185 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -78.24 -68.69 0.61 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 68.4 8.4 6.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.472 1.109 . . . . 99.99 111.434 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.15 27.82 2.63 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 111.836 -0.506 . . . . 99.99 111.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.71 -150.03 0.42 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.491 1.116 . . . . 99.99 112.546 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 51.6 tp 73.92 -69.33 0.19 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.511 1.524 . . . . 99.99 109.54 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.64 136.73 13.44 Favored Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.137 -1.185 . . . . 99.99 110.137 168.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 13.4 m -66.86 95.86 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.751 0.786 . . . . 99.99 111.649 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.1 159.23 16.23 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.409 -0.814 . . . . 99.99 110.534 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 5.7 tp -159.58 96.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 122.105 0.955 . . . . 99.99 109.023 169.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -131.53 95.39 3.73 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.221 -1.4 . . . . 99.99 107.221 169.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.9 157.53 34.74 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 115.225 -0.898 . . . . 99.99 109.706 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -64.76 128.65 36.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.105 0.478 . . . . 99.99 110.135 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.01 146.51 49.35 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 151' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' E' ' 152' ' ' PRO . 89.1 m-70 -59.41 109.98 2.36 Favored Pre-proline 0 N--CA 1.48 1.049 0 O-C-N 123.886 0.741 . . . . 99.99 111.155 -175.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 152' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 151' ' ' HIS . 4.3 Cg_exo -77.27 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.041 2.494 . . . . 99.99 112.316 -175.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 10.1 t -71.27 -161.51 0.06 Allowed 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 115.217 -0.902 . . . . 99.99 109.809 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.51 HG13 ' H ' ' E' ' 155' ' ' LEU . 12.0 pt -49.75 -59.12 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.87 0.759 . . . . 99.99 112.201 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.51 ' H ' HG13 ' E' ' 154' ' ' ILE . 1.1 tt -122.59 -66.02 1.06 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.626 -0.879 . . . . 99.99 108.626 169.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -177.88 6.91 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.618 0.767 . . . . 99.99 109.796 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.446 ' H ' ' HB3' ' E' ' 429' ' ' GLU . 51.7 ttm -152.84 83.14 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.945 -0.761 . . . . 99.99 108.945 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.97 88.14 5.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.524 -0.762 . . . . 99.99 109.436 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.8 -28.23 40.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.659 -1.155 . . . . 99.99 111.248 -172.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.2 -51.98 5.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -85.31 80.94 8.98 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.067 0.947 . . . . 99.99 110.991 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -174.55 -47.13 0.05 OUTLIER Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.623 -0.717 . . . . 99.99 111.356 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -58.27 6.07 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 72.16 140.74 0.06 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.056 1.343 . . . . 99.99 112.507 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 165' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 70' ' ' GLU . 43.5 p 58.49 164.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.517 1.927 . . . . 99.99 114.01 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -139.32 -11.28 0.78 Allowed Glycine 0 N--CA 1.467 0.764 0 CA-C-N 114.307 -1.315 . . . . 99.99 110.838 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -60.58 114.42 2.97 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.299 1.039 . . . . 99.99 109.277 167.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 6.1 p -155.24 -50.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 99.99 111.469 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m -74.57 -75.93 0.15 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.231 0.613 . . . . 99.99 111.022 -171.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 9.9 t -172.11 155.89 3.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.853 0.861 . . . . 99.99 110.243 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -150.79 11.44 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.372 1.069 . . . . 99.99 109.881 173.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.52 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 126.321 1.849 . . . . 99.99 113.246 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.67 -112.36 0.21 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -134.04 84.44 2.12 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.034 0.834 . . . . 99.99 110.952 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.98 -179.6 5.74 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.42 -109.64 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 117.987 -1.006 . . . . 99.99 109.731 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.9 m 66.42 144.27 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.041 0 C-N-CA 123.881 0.872 . . . . 99.99 112.233 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.96 -175.76 0.23 Allowed 'Trans proline' 0 C--N 1.388 2.633 0 C-N-CA 122.25 1.967 . . . . 99.99 112.745 167.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -61.45 -56.42 20.32 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.22 0.608 . . . . 99.99 111.552 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.44 16.59 5.29 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.104 1.361 . . . . 99.99 113.623 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.8 pp -94.01 158.81 15.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.497 0.719 . . . . 99.99 112.269 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.57 151.7 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 124.092 0.957 . . . . 99.99 110.052 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.92 -65.1 0.33 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.352 1.461 . . . . 99.99 114.003 166.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.53 -73.38 0.07 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.367 1.067 . . . . 99.99 112.078 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 55.1 t 54.43 -78.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 125.075 1.35 . . . . 99.99 111.133 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 30.2 m 66.34 94.19 0.07 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.974 1.31 . . . . 99.99 112.266 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 45.4 p -85.39 48.8 1.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.825 1.25 . . . . 99.99 109.354 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 61.54 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.474 1.51 . . . . 99.99 109.587 -163.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.47 135.11 0.53 Allowed 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.251 1.42 . . . . 99.99 108.141 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 64.4 m 74.57 -57.34 0.61 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.642 1.577 . . . . 99.99 112.415 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 76.4 t80 72.81 -65.05 0.37 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.428 1.491 . . . . 99.99 111.023 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -67.74 112.65 4.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 119.119 -0.823 . . . . 99.99 111.839 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.18 89.19 1.19 Allowed 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.944 2.429 . . . . 99.99 111.77 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.2 p -73.67 83.88 1.59 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.431 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 195' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' E' ' 213' ' ' ILE . . . -88.67 -6.68 57.31 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.054 0.942 . . . . 99.99 112.233 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.3 m 69.33 -74.02 0.08 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.005 1.322 . . . . 99.99 110.621 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 p -166.21 -22.74 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.122 0.969 . . . . 99.99 110.514 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 71.26 -72.14 0.12 Allowed 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.231 1.412 . . . . 99.99 110.39 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.5 ' H ' HD11 ' E' ' 205' ' ' LEU . 63.6 tttp -135.01 -176.11 4.14 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.099 -1.445 . . . . 99.99 107.099 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' E' ' 199' ' ' LYS . 21.1 p -56.73 116.5 13.3 Favored Pre-proline 0 CA--C 1.555 1.171 0 N-CA-C 109.342 -0.614 . . . . 99.99 109.342 165.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.54 46.59 2.05 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 123.013 2.475 . . . . 99.99 113.561 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -72.81 -107.37 0.06 OUTLIER Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.341 -0.391 . . . . 99.99 112.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.46 92.58 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 117.323 0.562 . . . . 99.99 110.883 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 62.84 20.35 12.12 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.737 1.215 . . . . 99.99 113.371 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 205' ' ' LEU . . . . . 0.5 HD11 ' H ' ' E' ' 199' ' ' LYS . 42.9 tp 58.35 83.35 0.12 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.942 0.897 . . . . 99.99 108.786 -172.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . 0.283 12.6 pt-20 52.96 -68.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.557 1.943 . . . . 99.99 112.242 -160.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -171.11 27.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.946 0.879 . . . . 99.99 108.901 171.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.19 -71.48 0.25 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.837 -1.074 . . . . 99.99 111.987 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 167.12 -155.59 26.79 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 111.145 -0.782 . . . . 99.99 111.145 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -150.06 -58.53 0.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.83 0.815 . . . . 99.99 111.029 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 211' ' ' GLY . . . . . 0.425 ' HA2' ' SD ' ' D' ' 1' ' ' MET . . . 165.84 -95.87 0.12 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.784 -0.453 . . . . 99.99 113.686 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.2 m 67.11 -71.34 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.75 1.62 . . . . 99.99 112.028 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' E' ' 195' ' ' ALA . 54.3 mt -72.93 109.19 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 124.494 1.118 . . . . 99.99 110.864 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.3 m -132.94 -25.58 1.81 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.716 0.806 . . . . 99.99 110.323 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.9 -9.21 52.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.289 1.036 . . . . 99.99 111.857 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -51.5 -26.39 8.26 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.811 1.041 . . . . 99.99 113.811 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 4.6 tt -89.09 -53.85 4.39 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 58.7 tp 58.93 78.2 0.27 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.533 1.133 . . . . 99.99 110.7 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 69.46 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.665 1.186 . . . . 99.99 112.517 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -66.95 95.87 0.4 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.382 0.61 . . . . 99.99 110.443 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.16 -169.15 1.81 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.34 1.056 . . . . 99.99 111.679 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 59.23 39.7 22.38 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.71 1.204 . . . . 99.99 111.38 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.82 112.13 2.42 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.669 0.788 . . . . 99.99 110.704 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 84.8 t -118.25 123.8 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.188 -1.041 . . . . 99.99 108.188 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 52.8 p -78.03 80.24 4.47 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.181 0.592 . . . . 99.99 110.323 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.31 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.564 1.546 . . . . 99.99 109.932 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.2 20.26 72.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-O 119.9 -0.389 . . . . 99.99 113.097 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -73.22 90.47 0.61 Allowed Glycine 0 C--N 1.351 1.368 0 O-C-N 123.863 0.39 . . . . 99.99 112.92 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -85.09 -179.66 50.95 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-O 121.462 0.479 . . . . 99.99 114.036 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -96.12 -48.72 5.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.801 0.841 . . . . 99.99 111.377 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt 58.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.013 1.325 . . . . 99.99 110.706 -170.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' E' ' 235' ' ' GLU . 68.3 p -69.97 -18.24 63.33 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.2 1.0 . . . . 99.99 112.19 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 69.94 -69.46 0.17 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.656 1.582 . . . . 99.99 111.13 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.18 47.25 2.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.887 0.875 . . . . 99.99 109.153 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 235' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' E' ' 232' ' ' THR . 4.1 mp0 56.32 60.5 3.13 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.512 1.125 . . . . 99.99 111.596 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 8.5 m 71.38 -0.41 3.13 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.146 1.378 . . . . 99.99 111.996 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 65.89 123.35 0.02 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.26 1.424 . . . . 99.99 112.072 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' E' ' 241' ' ' GLU . 23.4 m 77.46 -46.59 0.48 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.698 1.599 . . . . 99.99 112.342 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -61.81 -19.84 62.97 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.575 0.954 . . . . 99.99 113.575 -176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -73.93 -7.14 75.14 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 119.647 -0.529 . . . . 99.99 114.383 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 241' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' E' ' 402' ' ' ASP . 10.5 pt-20 -88.22 -15.6 35.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 117.546 0.673 . . . . 99.99 110.615 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 61.41 87.59 0.09 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.64 1.576 . . . . 99.99 111.23 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -82.66 74.39 9.63 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.409 0.684 . . . . 99.99 110.801 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.71 -45.38 3.69 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 110.734 -0.946 . . . . 99.99 110.734 172.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.689 ' H ' ' HB1' ' E' ' 405' ' ' ALA . 52.8 mtpt 56.57 24.03 8.3 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.837 1.655 . . . . 99.99 112.615 177.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 2.5 t -100.99 -55.87 2.46 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.645 0.778 . . . . 99.99 111.037 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.37 -38.09 81.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.094 0.558 . . . . 99.99 111.959 -171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.639 ' HD3' ' HB3' ' E' ' 404' ' ' LYS . 15.4 tpt180 -58.15 -51.85 68.02 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 123.648 0.592 . . . . 99.99 111.379 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.83 -52.04 7.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.884 0.474 . . . . 99.99 112.031 -173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -75.51 -26.38 58.04 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.021 0.749 . . . . 99.99 113.021 -165.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -77.15 -15.92 59.34 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 111.887 0.329 . . . . 99.99 111.887 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -69.32 -13.49 62.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.516 0.726 . . . . 99.99 112.047 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -55.24 -56.31 21.47 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.398 0.679 . . . . 99.99 111.198 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 63.04 152.53 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 125.031 1.332 . . . . 99.99 113.114 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 66.16 56.4 14.24 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 112.263 -0.335 . . . . 99.99 112.263 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -58.47 -40.87 83.86 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.572 0.749 . . . . 99.99 111.566 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 63.05 -76.85 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.528 1.531 . . . . 99.99 111.545 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 55.73 -82.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.279 1.432 . . . . 99.99 112.292 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' E' ' 262' ' ' ALA . 41.1 t -71.51 -42.0 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.636 0.775 . . . . 99.99 110.75 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 16.5 t 74.44 -57.59 0.61 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.722 1.609 . . . . 99.99 111.496 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.38 116.56 5.29 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.39 0.676 . . . . 99.99 110.64 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 262' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' E' ' 259' ' ' VAL . . . -92.36 -0.71 57.36 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.541 1.136 . . . . 99.99 113.156 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -58.56 -64.43 0.93 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -166.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 73.2 m -161.62 -35.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.164 0.986 . . . . 99.99 110.302 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 91.2 mt 65.11 -80.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 99.99 111.442 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -136.71 -4.08 2.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.786 0.834 . . . . 99.99 111.209 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 26.7 m 55.33 -96.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.341 1.456 . . . . 99.99 112.999 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.1 p -176.24 -28.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.794 0.838 . . . . 99.99 110.974 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 28.2 m 65.03 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.95 1.3 . . . . 99.99 109.955 -166.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' E' ' 273' ' ' GLN . 7.9 pt-20 -138.56 112.65 8.58 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.543 0.737 . . . . 99.99 110.239 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -88.55 -54.11 4.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.254 -0.885 . . . . 99.99 109.523 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -36.68 6.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.644 0.778 . . . . 99.99 111.864 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.575 ' HG2' ' HB2' ' E' ' 270' ' ' GLU . 24.2 mm-40 61.71 -98.26 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 99.99 111.617 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -131.08 14.36 5.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.254 0.622 . . . . 99.99 111.807 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -49.76 131.89 20.86 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 123.345 0.658 . . . . 99.99 111.856 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -79.66 34.37 0.53 Allowed 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 123.396 2.73 . . . . 99.99 113.14 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.492 HD23 ' N ' ' E' ' 278' ' ' LEU . 3.5 tt -72.16 144.03 48.71 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.834 -1.173 . . . . 99.99 107.834 169.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.492 ' N ' HD23 ' E' ' 277' ' ' LEU . 3.2 tm? 80.04 101.35 0.06 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.358 1.463 . . . . 99.99 109.498 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -124.49 135.87 9.77 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 110.793 -0.923 . . . . 99.99 110.793 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 95.9 mt 63.24 -178.41 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.14 0.976 . . . . 99.99 111.152 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' C' ' 103' ' ' PRO . 9.2 t80 61.87 26.59 16.12 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.49 1.116 . . . . 99.99 111.467 172.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 282' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' C' ' 47' ' ' ALA . . . -142.58 20.33 2.02 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.586 -0.696 . . . . 99.99 111.288 -175.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -171.03 -39.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.213 0.605 . . . . 99.99 110.162 -168.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -78.27 -178.88 50.05 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 123.536 0.522 . . . . 99.99 113.258 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -139.82 156.15 46.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.283 0.633 . . . . 99.99 109.592 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 24.1 mmt -96.12 111.57 56.81 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 123.374 0.67 . . . . 99.99 109.196 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.39 82.91 1.32 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 121.868 1.712 . . . . 99.99 110.126 166.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.46 -47.21 30.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 C-N-CA 124.003 0.921 . . . . 99.99 110.409 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 65.79 128.19 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.928 1.291 . . . . 99.99 110.049 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -62.16 126.55 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.142 0.577 . . . . 99.99 111.696 -174.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.97 -177.11 47.82 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.92 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.646 2.897 . . . . 99.99 111.479 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' C' ' 37' ' ' GLN . 65.4 mttm -63.72 126.36 27.34 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.675 -0.491 . . . . 99.99 109.675 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -137.11 169.04 18.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.086 0.554 . . . . 99.99 110.106 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 4.7 m 72.46 163.46 0.27 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.994 1.318 . . . . 99.99 110.364 -172.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 66.74 -164.42 0.23 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.003 0.921 . . . . 99.99 110.939 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 298' ' ' HIS . . . . . 0.605 ' H ' ' HB3' ' C' ' 36' ' ' TRP . 56.7 t-80 75.17 0.72 3.57 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.473 1.109 . . . . 99.99 111.621 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -94.2 145.58 17.74 Favored Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.473 -0.651 . . . . 99.99 111.473 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.32 98.22 3.19 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.553 0.741 . . . . 99.99 110.768 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.42 93.5 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -87.88 146.02 25.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.261 0.624 . . . . 99.99 110.567 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 131.93 51.85 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 123.611 0.764 . . . . 99.99 110.818 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.409 ' HA ' ' HB3' ' E' ' 4' ' ' SER . 24.0 Cg_exo -68.56 176.55 5.68 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.367 2.045 . . . . 99.99 112.583 162.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -146.44 10.79 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.601 0.76 . . . . 99.99 110.805 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' B' ' 131' ' ' VAL . 23.9 m -80.12 108.65 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-O 121.612 0.72 . . . . 99.99 111.885 -170.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 37.3 m -138.16 112.29 8.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.165 0.986 . . . . 99.99 109.174 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 92.9 m -150.43 102.6 3.06 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.76 0.824 . . . . 99.99 109.598 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 309' ' ' THR . . . . . 0.427 HG21 ' HE1' ' D' ' 101' ' ' TYR . 1.7 p -157.67 144.89 13.48 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.078 1.351 . . . . 99.99 109.09 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -95.65 171.66 1.22 Allowed 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 123.004 2.469 . . . . 99.99 113.368 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.529 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 35.6 t-20 -102.0 -50.24 0.17 Allowed Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 114.246 -1.343 . . . . 99.99 112.722 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.529 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 19.6 Cg_endo -54.63 111.69 0.8 Allowed 'Trans proline' 0 C--N 1.402 3.385 0 C-N-CA 122.803 2.336 . . . . 99.99 114.115 -171.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -130.79 174.41 9.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.713 1.205 . . . . 99.99 109.686 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 64.25 8.59 4.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 124.174 0.99 . . . . 99.99 113.471 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.96 92.92 4.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.305 -0.998 . . . . 99.99 108.305 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.89 125.05 28.65 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.54 -0.541 . . . . 99.99 109.54 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 317' ' ' SER . . . . . 0.572 ' HB3' ' H ' ' E' ' 62' ' ' LYS . 71.1 m -142.47 104.02 4.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.964 0.905 . . . . 99.99 108.79 177.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 318' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' E' ' 319' ' ' PRO . 10.6 m -105.2 107.59 59.32 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.553 0.741 . . . . 99.99 109.451 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 319' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' E' ' 318' ' ' VAL . 14.5 Cg_exo -68.16 82.39 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.674 2.916 . . . . 99.99 112.8 -174.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 16.8 p -144.7 -29.26 0.47 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.299 1.04 . . . . 99.99 110.613 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.71 -81.79 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.933 0.493 . . . . 99.99 110.354 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -90.18 -5.36 56.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.015 0.526 . . . . 99.99 111.538 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.2 -69.79 0.23 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 165.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.6 -62.1 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.689 1.868 . . . . 99.99 114.399 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.0 m 78.93 58.05 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.2 1.8 . . . . 99.99 107.69 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.643 ' HA ' ' HA ' ' E' ' 331' ' ' LEU . 15.4 p-10 -112.33 44.91 1.36 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.619 1.568 . . . . 99.99 110.196 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.463 ' HB3' HG22 ' E' ' 387' ' ' ILE . 3.2 mptp? -105.93 -45.11 4.44 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 112.837 0.68 . . . . 99.99 112.837 -167.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' E' ' 332' ' ' LEU . . . -75.9 -83.39 0.06 Allowed 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 118.312 -0.851 . . . . 99.99 113.26 -166.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' E' ' 339' ' ' PHE . 3.2 mp -94.39 -77.19 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.322 1.419 . . . . 99.99 109.569 176.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -97.07 -64.52 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.369 -1.715 . . . . 99.99 106.369 156.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.643 ' HA ' ' HA ' ' E' ' 326' ' ' ASP . 3.2 mm? -97.43 -68.32 0.81 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 114.582 -1.19 . . . . 99.99 110.695 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' E' ' 328' ' ' ALA . 59.7 tp -170.43 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 CA-C-N 114.72 -1.127 . . . . 99.99 109.278 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 38.6 t 61.03 91.99 0.05 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.913 1.285 . . . . 99.99 110.295 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 97.29 0.13 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -142.08 133.16 26.08 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.149 0.98 . . . . 99.99 108.367 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.8 123.46 22.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 66.75 24.26 9.95 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.303 1.041 . . . . 99.99 110.256 -173.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -73.84 -170.36 21.3 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.745 -0.661 . . . . 99.99 113.333 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 339' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' E' ' 329' ' ' ILE . 54.4 t80 69.34 177.99 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.828 1.251 . . . . 99.99 109.66 -175.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -78.54 3.32 16.39 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.464 0.705 . . . . 99.99 111.361 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 62.0 tp 67.48 -73.47 0.08 Allowed 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.756 1.622 . . . . 99.99 110.084 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -150.74 110.57 4.07 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.47 126.58 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.09 157.12 29.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.74 0.816 . . . . 99.99 111.409 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -92.24 41.76 2.77 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 116.067 -0.515 . . . . 99.99 112.781 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.59 69.46 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.463 0.649 . . . . 99.99 111.039 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 10.6 t -113.55 138.7 49.77 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 106.755 -1.572 . . . . 99.99 106.755 172.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 8.4 tt -68.85 152.86 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-N 118.634 0.652 . . . . 99.99 109.571 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -55.83 152.08 10.4 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.747 1.219 . . . . 99.99 113.184 -173.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.3 tttt 68.79 -76.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.17 1.388 . . . . 99.99 112.711 170.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -136.3 130.9 33.66 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.018 0.927 . . . . 99.99 108.697 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -110.41 -53.66 2.66 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.004 0.922 . . . . 99.99 110.818 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -99.34 -38.47 8.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.891 0.477 . . . . 99.99 109.742 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 54.53 -87.74 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.366 1.467 . . . . 99.99 112.678 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 54.92 83.76 0.08 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.191 1.396 . . . . 99.99 112.685 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -97.42 -33.71 0.26 Allowed Pre-proline 0 CA--C 1.571 1.782 0 N-CA-C 114.592 1.33 . . . . 99.99 114.592 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.92 21.88 0.91 Allowed 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 122.658 1.985 . . . . 99.99 113.299 -173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 55.9 m -72.41 -8.62 55.96 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.989 0.916 . . . . 99.99 112.139 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -61.38 -27.25 67.44 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 122.814 0.245 . . . . 99.99 112.981 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 62.06 -87.55 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.323 1.449 . . . . 99.99 111.984 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 9.6 tt -95.17 -38.29 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.241 1.016 . . . . 99.99 109.905 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 74.0 -75.46 1.11 Allowed Glycine 0 C--N 1.35 1.337 0 CA-C-N 115.929 -0.578 . . . . 99.99 111.753 -172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 63.14 123.03 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.789 1.635 . . . . 99.99 112.571 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.6 m 62.49 19.52 11.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 124.587 1.155 . . . . 99.99 109.53 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.17 136.95 22.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 C-N-CA 124.074 0.949 . . . . 99.99 108.703 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.28 127.82 34.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.24 -39.51 90.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.658 0.783 . . . . 99.99 110.267 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.96 -37.19 78.67 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.822 0.701 . . . . 99.99 110.966 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 1.0 OUTLIER -70.15 -40.52 74.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.423 0.689 . . . . 99.99 109.353 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.73 60.37 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.714 -0.675 . . . . 99.99 111.653 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 6.9 p -77.89 -31.46 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.591 0.356 . . . . 99.99 110.75 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' E' ' 369' ' ' GLU . 5.4 pp0? -70.64 -19.77 62.78 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 119.225 -0.417 . . . . 99.99 110.55 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.783 ' HA ' ' HB3' ' E' ' 376' ' ' GLU . 90.4 mtt-85 -65.53 -24.46 67.13 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 123.772 0.67 . . . . 99.99 112.283 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 83.01 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.144 0.497 . . . . 99.99 110.301 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 89.9 mt -86.36 -26.74 24.66 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.944 0.898 . . . . 99.99 112.087 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 376' ' ' GLU . . . . . 0.783 ' HB3' ' HA ' ' E' ' 373' ' ' ARG . 1.7 tm-20 -70.83 -57.45 4.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.736 0.815 . . . . 99.99 110.063 -173.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -57.71 -35.57 70.82 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.147 0.904 . . . . 99.99 111.94 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.04 -59.11 3.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.56 0.744 . . . . 99.99 110.941 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -76.01 -14.44 60.22 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 114.846 -1.07 . . . . 99.99 111.635 -174.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -54.65 -41.08 69.68 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.505 1.122 . . . . 99.99 111.136 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 73.88 -64.94 0.37 Allowed 'General case' 0 C--O 1.245 0.829 0 O-C-N 125.395 1.685 . . . . 99.99 110.397 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 81.74 17.05 71.4 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.333 0.396 . . . . 99.99 112.705 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -139.22 136.66 35.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.11 0.964 . . . . 99.99 109.977 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 96.3 m -66.58 -27.88 68.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 124.385 1.074 . . . . 99.99 110.416 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.0 mt 73.83 -71.6 0.13 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.799 1.639 . . . . 99.99 111.174 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.06 137.81 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.948 0.499 . . . . 99.99 110.652 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 387' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' E' ' 327' ' ' LYS . 31.8 pt -109.94 133.15 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.193 0.597 . . . . 99.99 109.812 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 388' ' ' VAL . . . . . 0.441 HG12 ' HD3' ' E' ' 327' ' ' LYS . 7.5 p -86.71 110.67 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.257 0.551 . . . . 99.99 109.909 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 36.7 m -142.79 107.34 4.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.806 0.842 . . . . 99.99 108.765 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -158.72 105.19 1.8 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -143.89 155.09 43.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 -172.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -124.81 7.83 8.13 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.152 0.581 . . . . 99.99 112.244 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -135.21 102.0 5.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.717 0.807 . . . . 99.99 110.327 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -87.62 -27.44 22.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.762 0.825 . . . . 99.99 110.583 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.59 -176.63 5.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.505 1.122 . . . . 99.99 110.367 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.0 m -122.1 -84.66 0.66 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.847 0.459 . . . . 99.99 109.815 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.584 ' HG3' ' HB2' ' E' ' 402' ' ' ASP . 23.9 mp0 53.8 -157.56 0.18 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 124.088 0.955 . . . . 99.99 110.982 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 398' ' ' ILE . . . . . 0.416 ' O ' HG22 ' E' ' 399' ' ' VAL . 56.4 mt 70.17 157.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 C-N-CA 123.522 0.729 . . . . 99.99 112.01 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.416 HG22 ' O ' ' E' ' 398' ' ' ILE 0.283 3.2 m 74.6 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.557 0 C-N-CA 127.796 2.438 . . . . 99.99 114.061 174.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.461 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -161.93 -53.33 0.01 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-O 118.309 -0.853 . . . . 99.99 111.373 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 5.7 Cg_exo -79.24 127.12 7.32 Favored 'Trans proline' 0 C--N 1.395 2.976 0 CA-C-N 121.012 1.397 . . . . 99.99 111.199 175.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 402' ' ' ASP . . . . . 0.584 ' HB2' ' HG3' ' E' ' 397' ' ' GLN . 50.8 m-20 47.81 75.63 0.13 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.402 1.481 . . . . 99.99 113.151 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 403' ' ' THR . . . . . 0.571 HG23 ' HG3' ' E' ' 404' ' ' LYS . 9.3 t -160.8 -150.98 0.22 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 105.758 -1.942 . . . . 99.99 105.758 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.639 ' HB3' ' HD3' ' E' ' 248' ' ' ARG . 85.7 mttt 80.39 -42.88 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.764 1.226 . . . . 99.99 111.384 170.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 405' ' ' ALA . . . . . 0.689 ' HB1' ' H ' ' E' ' 245' ' ' LYS . . . -56.33 -43.34 99.25 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.261 1.024 . . . . 99.99 112.208 170.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -95.38 174.63 1.06 Allowed 'Trans proline' 0 C--N 1.388 2.607 0 C-N-CA 122.665 2.243 . . . . 99.99 112.196 163.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 163.84 41.43 0.02 OUTLIER Glycine 0 C--N 1.349 1.282 0 CA-C-O 119.553 -0.582 . . . . 99.99 113.718 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 408' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' B' ' 3' ' ' GLU . 8.0 mp 70.77 -66.73 0.28 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.122 1.769 . . . . 99.99 112.626 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 67.88 20.8 9.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.225 1.41 . . . . 99.99 110.737 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -75.66 80.83 2.63 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.833 0.853 . . . . 99.99 109.932 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.09 14.04 5.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.008 1.323 . . . . 99.99 113.274 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.29 -83.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.918 0.887 . . . . 99.99 111.65 -170.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -162.38 125.06 2.85 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.709 -0.848 . . . . 99.99 108.709 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.9 t -164.26 176.15 9.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.784 0.834 . . . . 99.99 109.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -83.48 130.43 35.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.659 0.784 . . . . 99.99 109.151 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.65 -45.0 31.65 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.564 -0.532 . . . . 99.99 109.564 172.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 59.68 22.33 56.7 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 123.708 0.63 . . . . 99.99 114.212 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.59 126.5 35.31 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.657 0.783 . . . . 99.99 109.814 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 419' ' ' VAL . . . . . 0.579 HG12 ' H ' ' E' ' 422' ' ' MET . 56.4 t 75.76 -35.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 125.149 1.38 . . . . 99.99 112.74 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.9 mtt 59.72 41.12 18.91 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.706 1.202 . . . . 99.99 112.208 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 19.2 t 58.82 45.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.347 0 CA-C-O 122.336 1.065 . . . . 99.99 109.478 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 422' ' ' MET . . . . . 0.579 ' H ' HG12 ' E' ' 419' ' ' VAL . 42.0 ttm 65.4 22.48 11.96 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.624 1.57 . . . . 99.99 112.449 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 14.9 m -95.66 49.28 1.17 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.738 0.78 . . . . 99.99 108.945 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -156.48 146.53 21.19 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.699 -1.137 . . . . 99.99 109.209 -165.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 87.38 -48.28 3.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.371 -0.377 . . . . 99.99 112.237 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -84.93 155.73 21.52 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.858 0.863 . . . . 99.99 109.465 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.9 m 63.06 23.71 14.12 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.476 1.111 . . . . 99.99 111.32 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -81.78 87.45 6.34 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.537 -1.283 . . . . 99.99 107.537 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 429' ' ' GLU . . . . . 0.446 ' HB3' ' H ' ' E' ' 157' ' ' MET . 47.9 mm-40 -90.62 -0.98 57.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.134 -1.394 . . . . 99.99 112.82 -171.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -73.97 -42.3 60.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.908 0.483 . . . . 99.99 109.91 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 82.8 p -67.03 -37.59 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.005 0.922 . . . . 99.99 110.754 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -33.02 74.92 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.112 . . . . 99.99 109.965 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.85 -42.81 97.49 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.802 0.841 . . . . 99.99 109.885 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -77.53 74.75 4.09 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 122.855 0.462 . . . . 99.99 110.393 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 14.8 p -70.26 99.15 1.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.565 0.746 . . . . 99.99 110.468 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 436' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' E' ' 465' ' ' LYS . . . 66.32 37.68 93.04 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.505 -0.77 . . . . 99.99 112.933 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 437' ' ' SER . . . . . 0.577 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 70.3 m 63.18 19.79 11.88 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.285 1.034 . . . . 99.99 112.357 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.29 -78.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.259 1.424 . . . . 99.99 110.617 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.95 -21.8 61.55 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.963 0.905 . . . . 99.99 111.927 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 80.25 -43.17 0.24 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.342 1.457 . . . . 99.99 112.293 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.3 mp 77.27 -33.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 125.199 1.4 . . . . 99.99 111.58 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -63.35 94.22 0.08 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.414 0.686 . . . . 99.99 111.414 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -90.45 5.83 45.94 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.574 1.15 . . . . 99.99 112.668 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 62.13 -160.98 0.3 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.609 1.164 . . . . 99.99 112.416 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -151.02 -175.93 23.4 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 119.823 -0.431 . . . . 99.99 113.299 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.94 144.64 83.45 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.229 2.619 . . . . 99.99 112.306 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -76.72 -24.99 53.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.284 0.634 . . . . 99.99 110.488 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -69.26 93.95 0.66 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.302 0.641 . . . . 99.99 110.222 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 449' ' ' ALA . . . . . 0.471 ' HB1' ' HA3' ' E' ' 453' ' ' GLY . . . -154.2 166.23 33.77 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.046 0.938 . . . . 99.99 109.941 -174.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -135.4 115.93 13.72 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.993 0.517 . . . . 99.99 110.628 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 69.6 t 59.44 -80.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.063 1.345 . . . . 99.99 110.784 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.614 HG12 HD22 ' A' ' 98' ' ' LEU . 24.1 m -95.13 129.59 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.471 ' HA3' ' HB1' ' E' ' 449' ' ' ALA . . . -161.2 29.94 0.32 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 116.447 -0.342 . . . . 99.99 112.565 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.63 120.05 19.66 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 10.6 m -95.79 176.98 5.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.09 0.956 . . . . 99.99 109.705 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.8 153.26 40.53 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 122.825 0.45 . . . . 99.99 110.364 168.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 49.54 32.79 5.13 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.874 1.27 . . . . 99.99 111.996 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 49.9 m -101.71 130.29 48.06 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.72 115.52 2.61 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.917 0.761 . . . . 99.99 109.705 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 44' ' ' LEU . 2.7 pp -70.34 -34.59 72.84 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.426 0.454 . . . . 99.99 111.78 -176.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.499 ' N ' HD12 ' E' ' 460' ' ' LEU . 0.1 OUTLIER -176.94 -39.04 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.133 -1.432 . . . . 99.99 107.133 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -162.3 -179.66 7.18 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.658 0.783 . . . . 99.99 111.715 174.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 86.9 m -125.02 150.68 46.49 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.754 1.222 . . . . 99.99 108.061 168.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 42' ' ' LEU . 98.1 mmm -85.23 18.68 2.51 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.286 0.634 . . . . 99.99 112.402 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.618 ' HA ' ' HA2' ' E' ' 436' ' ' GLY . 3.2 mppt? 62.73 -76.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.411 1.484 . . . . 99.99 110.889 -176.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -159.05 143.98 15.87 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 106.922 -1.511 . . . . 99.99 106.922 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 467' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -73.3 -73.51 0.21 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 117.924 0.329 . . . . 99.99 111.364 -172.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pp -174.02 144.05 0.97 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.673 0.389 . . . . 99.99 111.612 -165.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -97.09 38.43 3.1 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-N 116.378 -0.374 . . . . 99.99 112.318 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.41 HD23 ' HD2' ' A' ' 38' ' ' PRO . 4.1 mm? 71.48 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.176 1.39 . . . . 99.99 112.295 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.479 ' HB2' ' HZ3' ' E' ' 471' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.413 0 N-CA-C 106.306 -1.738 . . . . 99.99 106.306 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HA3' ' E' ' 338' ' ' GLY . 16.0 tpt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.502 -0.555 . . . . 99.99 109.502 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -155.9 67.02 0.6 Allowed 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.04 -1.467 . . . . 99.99 107.04 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.39 76.4 5.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.836 -171.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.455 ' HA ' ' HB2' ' E' ' 400' ' ' ALA . 28.0 tt0 67.44 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.841 1.256 . . . . 99.99 111.402 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -100.24 174.91 5.92 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.936 1.294 . . . . 99.99 110.135 -172.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -67.46 174.01 3.68 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.957 0.903 . . . . 99.99 110.906 169.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 152' ' ' HIS . 85.0 m -73.24 -86.9 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 118.937 -0.554 . . . . 99.99 111.49 -173.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 50.32 -155.56 0.12 Allowed 'General case' 0 C--N 1.365 1.281 0 C-N-CA 123.896 0.878 . . . . 99.99 112.085 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.452 ' HB2' ' HB ' ' E' ' 451' ' ' VAL . 22.7 ptt? -156.7 133.18 10.01 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.232 -0.655 . . . . 99.99 109.232 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -166.59 145.22 5.43 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 122.085 0.945 . . . . 99.99 112.49 173.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.35 117.76 14.71 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 104.886 -2.264 . . . . 99.99 104.886 163.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -148.33 135.63 20.39 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' HD12 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 87.02 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 27.8 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 12.57 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 37.56 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 5.43 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 6.92 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 5.61 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 12.68 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 32.78 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' E' ' 470' ' ' LEU . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 57.34 112.655 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 48.36 110.291 -177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 97.85 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 43.33 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 41.53 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 88.8 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 73.87 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' HD11 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.04 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 54.22 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 29.36 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 19.86 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 13.6 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 17.22 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 14.92 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 21.43 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 23.61 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 57.75 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 37' ' ' GLN . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 93.1 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 30.12 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 22.88 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 30.01 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 14.44 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 9.47 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 106' ' ' LEU . 52.5 tp60 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 20.02 112.343 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 66.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' HE1' HG22 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p -117.32 122.87 45.1 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.5 tp -105.64 148.61 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.206 1.002 . . . . 99.99 110.781 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.95 140.3 11.84 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.912 0.885 . . . . 99.99 110.093 166.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -33.17 5.22 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 114.476 0.55 . . . . 99.99 114.476 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.11 146.21 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.241 0.616 . . . . 99.99 109.893 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 94' ' ' MET . 9.9 pt-20 -156.89 -152.68 0.38 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.949 0.899 . . . . 99.99 109.238 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.67 -146.37 38.51 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 118.203 0.456 . . . . 99.99 113.22 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -64.56 -25.76 68.12 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 117.023 0.412 . . . . 99.99 111.048 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -57.85 -36.17 71.93 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.362 0.665 . . . . 99.99 111.477 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HG2' ' HA ' ' A' ' 90' ' ' GLU . 10.2 mmt -59.92 -46.85 88.04 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 123.297 0.373 . . . . 99.99 111.202 168.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.71 67.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.523 0.329 . . . . 99.99 111.776 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -76.93 -41.43 43.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.698 0.799 . . . . 99.99 110.311 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.7 t -69.33 -56.11 8.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.41 1.084 . . . . 99.99 110.994 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.512 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp -72.85 -20.34 61.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.179 -1.373 . . . . 99.99 112.16 -172.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 134' ' ' ASP . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 95.56 114.907 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 94.48 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 73.2 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 106' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 48.9 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.545 HD22 ' HB2' ' A' ' 132' ' ' ASN . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 94.19 111.459 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 55.88 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD21 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 21.71 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 15.39 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 9.95 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 20.66 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 7.34 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 15.45 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 4.41 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.432 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 7.34 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.599 HG21 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 7.28 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 4.96 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 48.88 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 26.6 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 17.97 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 8.38 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.459 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 20.1 109.964 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 13.71 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 20.05 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.47 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 56.76 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 62.97 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 56.46 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 77.42 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' E' ' 458' ' ' THR . 16.8 t -135.15 129.3 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.545 ' HB2' HD22 ' A' ' 104' ' ' ASN . 46.3 t30 -94.67 111.39 23.16 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.399 0.68 . . . . 99.99 111.311 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -66.59 -33.37 75.51 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.555 0.742 . . . . 99.99 112.236 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 100' ' ' ALA . 34.4 t70 -67.55 -46.19 73.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.477 -0.329 . . . . 99.99 111.446 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.28 -19.04 65.78 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.998 0.811 . . . . 99.99 112.067 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.86 -50.9 30.24 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 108.748 -0.834 . . . . 99.99 108.748 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.31 -36.86 85.33 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.745 -1.116 . . . . 99.99 110.975 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -41.6 67.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 99.99 108.84 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.01 -41.45 83.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.959 0.904 . . . . 99.99 110.483 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -76.36 -30.41 57.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.074 0.949 . . . . 99.99 110.55 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.38 -53.16 25.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.641 0.776 . . . . 99.99 109.666 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.636 ' HG3' ' H ' ' A' ' 144' ' ' GLN . 13.7 pt20 -174.64 -21.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 56.02 5.25 0.16 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 125.193 1.397 . . . . 99.99 113.99 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 142' ' ' GLN . 25.5 tt0 -75.38 89.43 2.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.084 0.954 . . . . 99.99 110.574 -174.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 55.37 29.62 13.41 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.329 1.052 . . . . 99.99 111.49 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.98 -137.13 14.86 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.979 -0.848 . . . . 99.99 110.979 -170.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.16 141.02 12.11 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.8 -86.41 0.14 Allowed Glycine 0 CA--C 1.499 -0.924 0 N-CA-C 110.009 -1.236 . . . . 99.99 110.009 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m 70.36 157.49 0.17 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.369 1.068 . . . . 99.99 110.833 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 70.16 18.54 6.95 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.129 0.972 . . . . 99.99 110.367 -171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.74 161.44 28.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.089 0.556 . . . . 99.99 110.465 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.44 ' HB3' HG23 ' A' ' 7' ' ' THR . 6.9 m-70 -62.34 -28.08 69.5 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.862 0.465 . . . . 99.99 111.047 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -97.98 -61.24 1.41 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.561 0.744 . . . . 99.99 109.138 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t70 65.98 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.417 1.487 . . . . 99.99 112.463 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 123.712 0.805 . . . . 99.99 109.509 -177.371 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.783 0.801 . . . . 99.99 110.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.48 ' HA ' HG23 ' B' ' 7' ' ' THR . 65.0 m -92.91 -20.45 20.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.087 0.555 . . . . 99.99 112.457 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.42 -17.86 62.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.725 0.81 . . . . 99.99 112.292 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -76.94 22.41 0.19 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 113.478 0.918 . . . . 99.99 113.478 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 74.64 -66.19 0.31 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 126.04 1.736 . . . . 99.99 110.983 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 9' ' ' MET . 11.8 m120 -65.77 -30.75 71.45 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.862 0.865 . . . . 99.99 111.247 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.48 HG23 ' HA ' ' B' ' 2' ' ' SER . 80.6 m 73.96 -58.0 0.6 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.085 1.354 . . . . 99.99 111.198 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.53 88.16 6.2 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.449 -0.945 . . . . 99.99 108.449 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' B' ' 6' ' ' ASN . 0.3 OUTLIER 67.23 171.31 0.26 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.587 1.155 . . . . 99.99 111.283 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -142.73 138.9 30.85 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.691 -0.63 . . . . 99.99 110.26 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 -148.6 145.35 27.76 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.135 -0.484 . . . . 93.55 110.489 -176.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 40.88 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 85.25 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.459 HH21 ' HB ' ' A' ' 122' ' ' THR . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 95.33 111.371 -173.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 13.6 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 23.1 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.575 HG21 HD11 ' B' ' 21' ' ' ILE . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 6.51 109.467 174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 19.94 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.575 HD11 HG21 ' B' ' 18' ' ' THR . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 5.14 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 19.25 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 9.84 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 18.09 109.522 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 18.7 m120 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 49.39 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.604 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.604 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 98.87 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 72.1 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' E' ' 6' ' ' ILE . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 96.73 108.848 169.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 67.27 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 66.97 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 35.64 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 74.75 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 43.74 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 89.61 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 85.91 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 76.71 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 98.07 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 57.34 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 21.57 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 62.33 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.696 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 95.32 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 14.84 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 28.15 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.664 HG13 HG21 ' E' ' 6' ' ' ILE . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 18.14 109.0 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 24.35 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 26.44 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.542 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 56.64 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 62.67 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 81.37 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 33.32 111.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 25.99 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 18.76 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 16.93 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 12.76 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' B' ' 113' ' ' CYS . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 8.91 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.696 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 33.15 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 11.78 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 39.34 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.495 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 63.88 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 82.93 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 98' ' ' LEU . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 98.2 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.65 ' SD ' HG22 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' E' ' 64' ' ' ALA . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.501 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 71.23 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 59.87 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 71.19 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 50.37 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 36.29 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 87.59 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 37.19 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 13.07 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 10.37 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 12.29 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 8.75 111.142 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 59.14 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.567 ' HB3' HG21 ' B' ' 78' ' ' VAL . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 13.3 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.449 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 9.86 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 13.13 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.02 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 26.78 112.167 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 13.3 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 29.79 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.565 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 23.15 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 23.84 109.09 171.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 29.89 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 72.13 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' E' ' 304' ' ' PRO . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 73.04 109.029 175.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 90.81 109.476 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 43.15 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 61.27 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.419 HG11 ' O ' ' E' ' 8' ' ' LEU . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.57 109.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -110.5 74.8 0.89 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -60.34 -36.7 78.57 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.861 -1.063 . . . . 99.99 109.135 171.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -41.81 61.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.089 1.356 . . . . 99.99 111.721 173.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' E' ' 73' ' ' ASP . . . -74.87 -32.43 61.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.674 0.79 . . . . 99.99 111.937 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.72 -47.56 85.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.808 0.843 . . . . 99.99 110.416 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 97.1 m-85 -71.22 -38.05 72.03 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.536 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.41 64.91 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.459 0.703 . . . . 99.99 111.028 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -74.93 -24.46 58.49 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.81 -1.086 . . . . 99.99 110.484 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -84.57 -25.18 28.87 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.058 0.943 . . . . 99.99 110.822 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 79.8 mt -83.09 35.82 0.49 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.299 1.04 . . . . 99.99 111.973 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . 77.2 mt-30 -78.53 174.61 11.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.231 0.539 . . . . 99.99 110.826 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' B' ' 143' ' ' GLN . 3.1 pp0? -81.38 34.16 0.37 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.016 0.926 . . . . 99.99 112.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLN . . . . . 0.457 ' HG2' ' HB2' ' B' ' 142' ' ' GLN . 87.6 mm-40 -67.57 -15.6 63.74 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 99.99 111.564 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.91 163.96 0.27 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.052 1.341 . . . . 99.99 111.478 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.5 13.09 83.59 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.189 -173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -109.55 -179.09 3.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.333 1.053 . . . . 99.99 110.221 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.39 61.72 0.06 OUTLIER Glycine 0 C--N 1.339 0.701 0 N-CA-C 111.603 -0.599 . . . . 99.99 111.603 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 54.3 m -151.47 95.5 2.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.411 0.685 . . . . 99.99 109.558 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 72.82 -31.83 0.23 Allowed 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.495 1.918 . . . . 99.99 114.403 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -177.39 5.73 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.415 0.686 . . . . 99.99 111.591 -168.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -70.92 80.27 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.841 0.713 . . . . 99.99 110.176 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 176.45 -51.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.05 -73.47 0.29 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.638 -1.165 . . . . 99.99 109.788 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.765 -0.636 . . . . 99.99 109.697 -178.336 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtm . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.16 -0.311 . . . . 99.99 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.469 ' HB2' HG23 ' E' ' 137' ' ' THR . 50.0 m -84.09 -164.11 0.89 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.666 0.787 . . . . 99.99 110.569 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' E' ' 137' ' ' THR . 33.7 tt0 77.39 -72.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.246 1.018 . . . . 99.99 111.629 168.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLN . . . . . 0.406 ' H ' ' HG3' ' C' ' 4' ' ' GLN . 3.2 pp0? -91.41 154.4 19.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.176 0.99 . . . . 99.99 110.834 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ASN . . . . . 0.442 HD21 ' HB3' ' C' ' 8' ' ' GLU . 4.1 p30 -143.82 -85.3 0.14 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.578 0.751 . . . . 99.99 110.141 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -133.16 -61.74 0.82 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.785 -0.82 . . . . 99.99 108.785 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 34.6 m -128.44 -33.43 2.12 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.017 0.527 . . . . 99.99 110.398 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.442 ' HB3' HD21 ' C' ' 5' ' ' ASN . 43.4 tt0 -67.4 80.94 0.15 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.526 0.73 . . . . 99.99 110.784 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 54.0 ttp 60.39 114.31 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.468 1.507 . . . . 99.99 112.116 -174.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -116.73 98.39 6.49 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 169.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -116.66 163.07 16.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.788 -1.096 . . . . 99.99 108.406 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 56.3 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 14.7 mm100 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 93.16 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.47 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 11.74 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.401 ' HB2' ' HA2' ' D' ' 121' ' ' GLY . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 6.91 109.059 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 21.95 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 5.12 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 9.28 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 8.82 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 12.04 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 30.41 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 48.75 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.719 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 55.24 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 88.6 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 41.7 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 68.93 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 87.15 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.402 ' H ' HD13 ' C' ' 42' ' ' LEU . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 94.05 109.271 171.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.652 HD12 HD12 ' C' ' 136' ' ' LEU . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 71.87 110.131 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.697 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 62.96 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 35.73 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 56.22 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 43.42 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 94.06 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 81.86 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 29.6 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 20.9 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 69.19 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 14.53 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.42 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.539 HG23 HD13 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 17.7 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 29.53 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 32.22 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 59.66 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 97.29 109.008 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 76.35 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 37.0 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 34.06 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 39.96 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 16.54 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 9.25 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.753 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 25.23 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 10.6 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.499 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.535 HD12 HD11 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 30.38 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 94' ' ' MET . 11.6 tt -157.54 126.71 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.93 -13.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.005 0.743 . . . . 99.99 113.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.23 -36.04 80.86 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.179 0.832 . . . . 99.99 115.179 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' E' ' 276' ' ' PRO . 37.7 mm 72.29 128.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.942 1.297 . . . . 99.99 110.264 -175.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.02 63.26 1.24 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.542 -0.91 . . . . 99.99 108.542 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 53.35 -125.04 30.49 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.743 -1.117 . . . . 99.99 113.884 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -83.81 -21.37 32.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.383 0.673 . . . . 99.99 111.589 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -61.02 -67.46 0.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.786 0.435 . . . . 99.99 110.735 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 86' ' ' ILE . 1.1 tmt? -63.16 -36.97 85.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.364 0.665 . . . . 99.99 111.717 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.8 97.53 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.21 0.604 . . . . 99.99 111.447 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' E' ' 280' ' ' LEU . 24.4 t-80 -83.93 -21.61 31.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.168 0.587 . . . . 99.99 110.985 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t -70.29 -43.36 70.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.229 0.612 . . . . 99.99 110.74 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 68.51 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' C' ' 134' ' ' ASP . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 56.52 111.81 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.464 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 56.59 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.402 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 39.21 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 104' ' ' ASN . . . . . 0.601 ' HB2' ' HB3' ' C' ' 134' ' ' ASP . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 8.71 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.499 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 37.06 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 16.74 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 9.85 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.599 ' HE2' HG21 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 5.88 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 7.64 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 20.64 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 13.9 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.539 HD13 HG23 ' C' ' 64' ' ' VAL . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 8.58 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 8.54 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 6.56 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.611 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 5.22 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 28.53 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 17.6 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' THR . . . . . 0.431 HG23 ' HB3' ' D' ' 17' ' ' TYR . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 15.17 112.904 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.568 ' HE1' HG11 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 24.81 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.648 ' HG3' ' H ' ' E' ' 297' ' ' TYR . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 29.42 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 59.85 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 41.85 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 38.57 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 24.62 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 24.48 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 68.05 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -81.19 -11.36 59.44 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.601 ' HB3' ' HB2' ' C' ' 104' ' ' ASN . 2.5 p-10 -58.07 -35.52 71.5 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.341 1.056 . . . . 99.99 110.264 160.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.41 24.3 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.155 0.982 . . . . 99.99 113.254 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.652 HD12 HD12 ' C' ' 44' ' ' LEU . 2.0 tm? -68.44 -25.5 65.04 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.041 0.936 . . . . 99.99 111.964 -177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 137' ' ' PHE . . . . . 0.602 ' HB2' ' HD2' ' E' ' 281' ' ' PHE . 0.0 OUTLIER -47.8 -40.96 22.42 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 115.066 1.506 . . . . 99.99 115.066 -174.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -79.22 -37.62 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.406 1.082 . . . . 99.99 110.236 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -64.25 -37.48 87.64 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.943 -1.026 . . . . 99.99 110.938 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.48 -93.12 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 O-C-N 123.874 0.733 . . . . 99.99 110.544 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.68 91.67 3.03 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.07 55.69 0.19 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 99.99 108.187 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 44.6 84.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.325 1.45 . . . . 99.99 112.327 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.98 79.43 1.18 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 122.094 0.95 . . . . 99.99 110.257 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -162.42 14.37 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.75 1.62 . . . . 99.99 109.176 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -152.07 71.29 0.29 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.78 -60.86 2.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.599 1.159 . . . . 99.99 110.563 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.86 5.05 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 115.764 -0.653 . . . . 99.99 113.352 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 24.8 p -63.86 -17.14 62.86 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 125.062 1.345 . . . . 99.99 113.777 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -72.29 -56.38 5.61 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 110.281 -0.266 . . . . 99.99 110.281 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.48 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.4 0.437 . . . . 99.99 111.684 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -116.46 -88.82 0.58 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.588 0.755 . . . . 99.99 109.845 -174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -153.54 -46.61 0.09 Allowed 'General case' 0 C--N 1.35 0.606 0 N-CA-C 107.784 -1.191 . . . . 99.99 107.784 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.29 106.07 16.06 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 106.761 -1.57 . . . . 99.99 106.761 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 C-N-CA 124.306 1.042 . . . . 99.99 110.271 -167.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.388 -0.597 . . . . 99.99 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' D' ' 5' ' ' ASN . 75.6 m -76.19 71.68 2.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.119 0.567 . . . . 99.99 112.271 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.4 -45.51 62.58 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.587 0.708 . . . . 99.99 110.028 173.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -85.69 -25.8 26.31 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.51 -1.223 . . . . 99.99 111.044 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ASN . . . . . 0.749 ' HB2' ' HB3' ' D' ' 2' ' ' SER . 71.1 m-20 -81.88 108.95 15.8 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.176 -0.676 . . . . 99.99 109.176 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.69 -173.07 2.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.901 0.88 . . . . 99.99 109.972 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 64.5 m -60.6 110.23 1.23 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.939 0.895 . . . . 99.99 112.649 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.17 -179.09 6.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.981 -1.008 . . . . 99.99 109.226 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 15.4 ttt -28.58 128.29 0.08 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.243 1.417 . . . . 99.99 114.348 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -107.02 144.29 33.87 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.514 0.725 . . . . 99.99 109.299 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 76.43 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.655 HD13 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 79.46 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ARG . . . . . 0.457 HH12 ' HA ' ' E' ' 301' ' ' ILE . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.591 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 53.22 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.431 ' HB3' HG23 ' C' ' 122' ' ' THR . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 19.87 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 8.43 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 36.9 109.48 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.611 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 4.02 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 7.64 108.749 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.573 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 5.08 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 7.19 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 13.41 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 12.01 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 20.55 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 22.26 109.088 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.527 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 34.6 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 31.63 109.263 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 49.29 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 37' ' ' GLN . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 31.29 112.196 -173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 52.79 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' D' ' 43' ' ' ASP . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.658 ' HB2' HG13 ' E' ' 121' ' ' VAL . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 74.77 106.424 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD22 ' E' ' 111' ' ' LEU . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 66.01 111.191 -166.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.483 ' HB ' ' OG1' ' E' ' 107' ' ' THR . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 77.52 109.527 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 38.8 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 48.36 110.401 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 52.73 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' E' ' 100' ' ' LEU . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.71 108.813 176.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 82.32 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 96.95 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 82.8 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 44.56 109.664 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 19.48 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 52.2 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 9.25 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 10.79 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 9.72 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 19.36 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 11.33 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 29.87 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 24.97 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 27.84 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 11.35 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.56 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 10.67 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 7.73 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 11.05 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.481 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 5.05 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.555 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 21.68 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.29 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 43.57 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 77.58 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 88.57 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' E' ' 97' ' ' ILE . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.444 ' H ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 88.9 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.56 ' ND1' HD22 ' D' ' 141' ' ' LEU . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 95.17 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.703 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 66.02 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 54.11 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.442 ' HA ' HD22 ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 40.76 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 34.31 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 28.69 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 61.29 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.655 HG21 HD13 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 19.65 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 13.09 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 10.47 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 6.22 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 10.48 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 4.16 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 10.22 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.39 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.548 HD12 HD11 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 5.37 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 7.06 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 6.71 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 5.08 111.541 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.52 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 5.65 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 10.21 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 6.99 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 121' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' C' ' 17' ' ' TYR . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 18.26 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.565 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 20.06 113.069 173.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 16.85 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.494 HD13 HG21 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 14.84 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.459 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 76.73 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.548 HD11 HD12 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 20.32 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 28.37 110.401 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.543 ' HB3' HD13 ' E' ' 71' ' ' ILE . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 32.68 114.286 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 69.78 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.13 -43.01 87.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.84 88.72 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.235 0.959 . . . . 99.99 112.218 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.61 -27.46 64.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.705 0.802 . . . . 99.99 111.304 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.621 ' HE1' ' HG ' ' E' ' 111' ' ' LEU . 5.7 m-85 -93.63 -27.4 16.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.347 0.659 . . . . 99.99 110.643 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 40.3 ttm -54.27 -40.21 67.61 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.333 1.453 . . . . 99.99 112.907 -170.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.4 -30.81 70.79 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.826 0.85 . . . . 99.99 111.496 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -85.9 -39.06 17.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.192 0.997 . . . . 99.99 111.371 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.56 HD22 ' ND1' ' D' ' 96' ' ' HIS . 27.2 tp -61.03 -36.52 79.77 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.559 0.744 . . . . 99.99 111.549 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.83 0.31 18.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.359 -0.837 . . . . 99.99 112.276 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.82 88.16 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.765 0.826 . . . . 99.99 109.612 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -151.37 -61.62 0.18 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.623 -0.88 . . . . 99.99 108.623 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.05 106.04 1.51 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.54 0.736 . . . . 99.99 110.689 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.75 -65.85 4.03 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.122 -0.791 . . . . 99.99 111.122 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 89.37 0.09 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.525 1.53 . . . . 99.99 110.248 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.19 48.06 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 115.559 -0.746 . . . . 99.99 113.101 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.2 m -146.83 -61.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.028 -1.101 . . . . 99.99 108.028 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.92 20.36 11.34 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.445 1.098 . . . . 99.99 112.77 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' D' ' 152' ' ' HIS . 11.4 pt-20 46.61 -69.72 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.506 2.322 . . . . 99.99 116.052 172.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 152' ' ' HIS . . . . . 0.426 ' H ' ' HG3' ' D' ' 151' ' ' GLU . 30.1 m80 68.38 -177.86 0.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 124.802 1.241 . . . . 99.99 112.097 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.25 79.06 9.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.33 0.652 . . . . 99.99 109.596 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 20.2 t70 62.59 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.566 1.546 . . . . 99.99 111.017 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.08 0.952 . . . . 99.99 108.468 -179.374 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.951 -0.389 . . . . 99.99 109.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -162.15 150.61 14.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.218 0.607 . . . . 99.99 110.472 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -83.18 89.03 6.91 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.602 0.761 . . . . 99.99 109.386 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -141.84 147.7 37.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.146 -0.934 . . . . 99.99 110.744 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 30.1 m -67.59 148.57 51.24 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.135 0.974 . . . . 99.99 110.801 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.664 HG21 HG13 ' B' ' 64' ' ' VAL . 1.2 pp -58.46 108.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 113.893 1.071 . . . . 99.99 113.893 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' B' ' 128' ' ' LEU . . . -170.01 -90.11 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.253 -0.885 . . . . 99.99 108.696 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' E' ' 8' ' ' LEU . 0.2 OUTLIER -176.86 35.9 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.136 -1.061 . . . . 99.99 108.136 176.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 84.1 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.733 0.813 . . . . 99.99 112.586 -167.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp 56.52 91.68 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.233 1.413 . . . . 99.99 111.854 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' E' ' 65' ' ' LYS . 2.6 pt? -56.24 154.8 14.52 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.338 -0.846 . . . . 99.99 111.478 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -46.8 154.21 1.12 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.997 3.132 . . . . 99.99 114.476 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.65 133.38 49.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.704 0.801 . . . . 99.99 110.338 -174.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.52 -178.3 0.17 Allowed 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.276 0.985 . . . . 99.99 112.645 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HE3' ' B' ' 94' ' ' MET . 1.4 t80 -172.03 101.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 103.028 -2.953 . . . . 99.99 103.028 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 19.9 m -77.08 -63.35 0.52 Allowed Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.215 -0.898 . . . . 99.99 112.624 -164.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 71.5 Cg_endo -99.78 132.9 0.2 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 122.475 2.117 . . . . 99.99 113.728 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' B' ' 94' ' ' MET . 41.2 t -62.24 -37.11 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 CA-C-O 121.657 0.742 . . . . 99.99 110.251 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' E' ' 17' ' ' PRO . 9.0 t -100.25 154.78 18.19 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.523 -1.217 . . . . 99.99 108.723 171.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.464 ' HB3' ' HG2' ' E' ' 22' ' ' ARG . 0.4 OUTLIER 74.39 -61.06 0.5 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.005 1.322 . . . . 99.99 112.122 -178.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.52 15.37 7.82 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 124.784 1.234 . . . . 99.99 113.417 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' E' ' 20' ' ' LYS . 39.7 ptt180 -112.79 -178.17 3.32 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.707 0.803 . . . . 99.99 109.897 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.21 149.84 82.43 Favored Pre-proline 0 CA--C 1.558 1.281 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.03 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -51.38 126.87 20.49 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 123.366 2.711 . . . . 99.99 113.531 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.43 -85.95 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.371 1.468 . . . . 99.99 112.051 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.9 mtt -120.2 136.82 25.36 Favored Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 122.943 0.497 . . . . 99.99 109.97 -171.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -76.49 81.49 2.49 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.276 1.984 . . . . 99.99 110.012 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -55.5 108.87 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 114.748 -1.114 . . . . 99.99 111.54 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' LEU . . . . . 0.423 HD21 ' HE ' ' E' ' 32' ' ' ARG . 31.0 tp 76.57 -26.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.786 1.634 . . . . 99.99 112.955 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 58.76 -96.99 0.07 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.607 1.163 . . . . 99.99 110.34 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -153.3 125.89 8.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.877 0.871 . . . . 99.99 109.078 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ARG . . . . . 0.423 ' HE ' HD21 ' E' ' 29' ' ' LEU . 27.2 ptt180 -122.3 86.52 2.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.721 0.772 . . . . 99.99 109.955 172.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.38 42.72 0.83 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.172 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.62 82.88 2.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.129 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -161.71 151.94 17.2 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.354 0.662 . . . . 99.99 109.807 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.78 15.35 52.76 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.354 0.409 . . . . 99.99 113.422 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' E' ' 38' ' ' ILE . 10.4 t70 -78.52 88.53 4.47 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.226 1.01 . . . . 99.99 110.563 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' E' ' 419' ' ' VAL . 16.2 tt 169.84 163.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.771 1.628 . . . . 99.99 108.81 170.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m 85.24 -36.27 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.351 1.46 . . . . 99.99 111.91 172.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.526 ' H ' ' HD2' ' E' ' 41' ' ' PRO . . . -142.02 -48.05 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 123.397 0.679 . . . . 99.99 110.088 173.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 41' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' E' ' 40' ' ' ALA . 66.0 Cg_endo -74.49 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.797 0 C-N-CA 121.39 1.393 . . . . 99.99 111.963 164.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.87 -64.17 1.03 Allowed Glycine 0 C--N 1.341 0.846 0 N-CA-C 111.226 -0.75 . . . . 99.99 111.226 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.13 -162.21 40.09 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.993 0.467 . . . . 99.99 111.966 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 76.5 -44.38 0.48 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.985 1.476 . . . . 99.99 114.985 164.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' E' ' 45' ' ' ARG . 3.9 ppt_? 37.47 89.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.845 1.658 . . . . 99.99 112.575 -165.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -75.81 -1.27 24.35 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 115.243 -0.889 . . . . 99.99 112.168 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.42 168.46 27.02 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.745 1.218 . . . . 99.99 109.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 62.9 m -65.43 -28.16 69.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.375 0.67 . . . . 99.99 111.138 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 116.48 -108.96 1.87 Allowed Glycine 0 C--N 1.34 0.769 0 N-CA-C 109.278 -1.529 . . . . 99.99 109.278 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.58 -72.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.427 1.491 . . . . 99.99 113.09 169.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.03 -26.8 62.9 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.932 1.293 . . . . 99.99 111.753 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.957 0.503 . . . . 99.99 111.519 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.11 -42.16 17.72 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.277 0.631 . . . . 99.99 110.077 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.3 16.72 8.73 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.643 1.177 . . . . 99.99 112.877 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.09 -65.22 0.16 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.217 1.407 . . . . 99.99 110.982 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -123.14 -60.25 1.51 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 107.213 -1.403 . . . . 99.99 107.213 168.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -175.2 -28.46 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 114.053 -1.43 . . . . 99.99 109.806 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -73.28 6.83 2.58 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.85 1.26 . . . . 99.99 114.329 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.88 62.47 5.69 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.691 -0.485 . . . . 99.99 109.691 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -178.38 -62.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.929 0.892 . . . . 99.99 108.659 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -135.47 -178.53 5.16 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.701 0.8 . . . . 99.99 109.832 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -100.07 98.17 7.17 Favored Pre-proline 0 N--CA 1.478 0.939 0 C-N-CA 123.896 0.878 . . . . 99.99 109.114 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.17 -58.07 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.943 2.429 . . . . 99.99 114.099 -168.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' B' ' 96' ' ' HIS . . . 59.0 92.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.697 1.199 . . . . 99.99 111.781 -173.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' E' ' 11' ' ' LEU . 0.5 OUTLIER -136.51 108.29 7.06 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 109.496 -0.557 . . . . 99.99 109.496 176.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.5 150.66 19.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.883 0.873 . . . . 99.99 109.49 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 13.7 tt -103.71 104.31 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.87 -28.51 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.197 0.999 . . . . 99.99 111.368 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.91 -47.37 80.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.181 0.992 . . . . 99.99 109.945 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt 61.75 90.48 0.07 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.819 1.325 . . . . 99.99 111.131 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' D' ' 130' ' ' PRO . 5.9 tp -75.64 -35.72 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.98 -56.49 0.16 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 109.65 -1.38 . . . . 99.99 109.65 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 73' ' ' ASP . . . . . 0.575 ' HB3' ' HB2' ' B' ' 135' ' ' ALA . 25.4 m-20 56.6 94.58 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.39 1.476 . . . . 99.99 113.338 163.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.52 103.27 0.65 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.882 -0.599 . . . . 99.99 112.444 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 75' ' ' MET . . . . . 0.414 ' HG2' ' HB1' ' B' ' 135' ' ' ALA . 64.6 mtt -68.61 96.03 0.69 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.272 0.629 . . . . 99.99 110.213 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.3 163.69 54.86 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.219 -0.9 . . . . 99.99 112.46 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.97 155.48 39.37 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.759 0.824 . . . . 99.99 110.701 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -61.44 -31.05 70.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.871 0.868 . . . . 99.99 112.09 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.485 ' HA ' ' NH2' ' E' ' 84' ' ' ARG . 41.3 mm-40 -78.32 -20.66 50.98 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.018 0.527 . . . . 99.99 111.503 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 8.6 mt 64.23 23.18 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.47 0 C-N-CA 125.034 1.333 . . . . 99.99 109.624 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 36.2 p 54.0 165.73 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 126.915 2.086 . . . . 99.99 113.997 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' E' ' 85' ' ' ASN . . . 64.06 -76.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.692 1.597 . . . . 99.99 113.092 173.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.28 -70.77 0.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.766 0.827 . . . . 99.99 109.295 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' E' ' 84' ' ' ARG . 0.1 OUTLIER -143.33 19.36 1.9 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.64 0.734 . . . . 99.99 109.548 173.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 85' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' E' ' 82' ' ' ALA . 4.5 p30 -166.56 154.25 9.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.844 0.857 . . . . 99.99 110.179 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.96 166.56 15.49 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.031 0.932 . . . . 99.99 111.889 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.0 -177.44 5.54 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.622 0.769 . . . . 99.99 110.142 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.25 -56.86 10.35 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.507 0.723 . . . . 99.99 109.84 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 89' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' E' ' 309' ' ' THR . . . 74.36 -154.23 47.33 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 114.958 -1.019 . . . . 99.99 113.669 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.53 146.76 25.5 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.635 1.174 . . . . 99.99 108.075 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.96 90.68 0.01 OUTLIER Glycine 0 C--N 1.346 1.121 0 O-C-N 124.244 0.965 . . . . 99.99 114.357 -171.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 92' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . -137.29 138.55 9.81 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 110.817 -0.913 . . . . 99.99 110.817 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.16 170.41 11.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.183 0.993 . . . . 99.99 109.804 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -115.05 142.37 46.73 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.188 0.595 . . . . 99.99 110.029 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 95' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' E' ' 95' ' ' LYS . 9.8 mptt -109.09 133.56 52.84 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.889 0.876 . . . . 99.99 109.958 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.31 27.98 0.07 OUTLIER Glycine 0 C--N 1.347 1.187 0 O-C-N 123.347 0.404 . . . . 99.99 112.961 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' D' ' 87' ' ' ALA . 59.8 mt -137.46 139.74 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.411 1.085 . . . . 99.99 109.202 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.38 -60.01 2.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.362 0.665 . . . . 99.99 109.607 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.32 133.2 34.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.059 . . . . 99.99 109.068 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.454 ' HG ' HG21 ' E' ' 97' ' ' ILE . 2.7 mp -97.45 89.43 0.71 Allowed Pre-proline 0 CA--C 1.558 1.266 0 N-CA-C 107.471 -1.307 . . . . 99.99 107.471 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -69.69 -20.62 34.92 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.267 2.644 . . . . 99.99 113.666 -164.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.719 ' HG ' ' H ' ' E' ' 104' ' ' GLY . 25.4 tp 71.4 140.9 0.05 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.644 1.577 . . . . 99.99 111.965 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 10.9 t -78.46 -13.15 59.97 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.063 0.945 . . . . 99.99 111.326 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 104' ' ' GLY . . . . . 0.719 ' H ' ' HG ' ' E' ' 102' ' ' LEU . . . 158.78 132.63 1.41 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.932 -0.867 . . . . 99.99 110.932 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -55.51 -44.96 77.09 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.681 0.753 . . . . 99.99 110.153 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -118.42 163.21 17.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.111 -1.404 . . . . 99.99 107.226 158.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 107' ' ' THR . . . . . 0.483 ' OG1' ' HB ' ' D' ' 46' ' ' THR . 61.1 m -66.67 87.69 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.247 0.546 . . . . 99.99 109.942 175.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.08 -20.21 62.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.958 -1.019 . . . . 99.99 110.472 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.229 -0.896 . . . . 99.99 111.001 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 110' ' ' ALA . . . . . 0.458 ' H ' HG22 ' E' ' 107' ' ' THR . . . 69.04 130.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.127 1.371 . . . . 99.99 110.924 -170.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.621 ' HG ' ' HE1' ' D' ' 137' ' ' PHE . 6.6 mp -64.72 116.6 6.43 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.26 0.624 . . . . 99.99 110.936 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 46.3 t30 72.86 139.9 0.06 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.258 1.423 . . . . 99.99 110.937 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -106.92 -44.29 4.45 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 114' ' ' LYS . . . . . 0.413 ' HB2' ' HD3' ' E' ' 118' ' ' PRO . 61.2 mttm -91.61 111.04 22.39 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.637 -0.711 . . . . 99.99 109.773 -171.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 5.7 t -67.91 105.66 2.06 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.399 0.619 . . . . 99.99 111.409 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.61 58.35 4.58 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 114.993 -1.003 . . . . 99.99 113.633 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 117' ' ' LYS . . . . . 0.6 ' HB3' ' HD3' ' E' ' 118' ' ' PRO . 60.0 tttm -151.87 -56.66 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.51 0 CA-C-O 118.538 -0.744 . . . . 99.99 111.044 175.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' E' ' 117' ' ' LYS . 30.6 Cg_endo -100.43 26.05 0.15 Allowed 'Trans proline' 0 C--N 1.389 2.688 0 C-N-CA 122.786 2.324 . . . . 99.99 111.19 171.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.49 140.06 31.73 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.014 -0.994 . . . . 99.99 110.42 -171.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -120.84 5.43 10.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.467 0.707 . . . . 99.99 111.527 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.658 HG13 ' HB2' ' D' ' 42' ' ' LEU . 85.2 t -72.35 109.53 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 122.853 0.461 . . . . 99.99 110.324 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 16.8 m 65.24 112.88 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.355 1.462 . . . . 99.99 113.37 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -109.69 155.17 21.87 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.057 -0.72 . . . . 99.99 109.057 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 23.7 t -79.15 68.48 5.13 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.431 0.693 . . . . 99.99 109.814 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -159.01 155.23 27.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.519 1.128 . . . . 99.99 109.411 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 126' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' D' ' 127' ' ' ASN . . . 65.89 86.5 0.13 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.325 1.05 . . . . 96.83 111.297 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 51.0 m -134.52 147.25 50.29 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.586 0.754 . . . . 99.99 110.067 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.93 91.72 0.98 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.607 0.763 . . . . 74.48 109.499 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.565 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 9.0 t -107.5 141.21 39.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 99.99 111.379 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.02 169.32 18.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.793 1.237 . . . . 99.99 108.909 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -147.14 165.77 28.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.534 0.334 . . . . 99.99 110.166 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 57.4 m -58.8 156.55 11.0 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.377 1.471 . . . . 99.99 114.14 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 30.9 p -80.87 -28.86 35.86 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.147 0.979 . . . . 99.99 111.847 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.02 149.83 26.27 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 110.589 -1.004 . . . . 89.58 110.589 -168.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' E' ' 468' ' ' LEU . 14.5 p -157.91 165.79 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.232 0.613 . . . . 99.99 110.112 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.65 -167.34 0.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.404 1.082 . . . . 99.99 109.231 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' C' ' 3' ' ' GLU . 25.1 m 70.06 75.8 0.21 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.002 1.321 . . . . 99.99 111.068 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -126.18 133.25 51.6 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.89 1.276 . . . . 99.99 109.371 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -144.31 -168.42 2.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.588 1.155 . . . . 99.99 108.023 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.05 146.02 18.47 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 116.823 -0.172 . . . . 99.99 113.037 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -167.63 12.83 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.852 0.861 . . . . 99.99 110.987 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.55 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.402 1.481 . . . . 99.99 111.062 -169.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.0 141.34 6.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.392 -0.367 . . . . 99.99 112.814 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.0 m -122.2 81.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-O 121.939 0.876 . . . . 99.99 109.168 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.3 115.25 21.37 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.624 -0.716 . . . . 99.99 110.171 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.23 109.51 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -139.64 88.23 2.23 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.461 . . . . 99.99 107.054 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.24 164.54 25.34 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.21 0.604 . . . . 99.99 110.605 -174.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -64.32 132.0 48.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.457 -0.792 . . . . 99.99 109.741 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.2 128.06 35.17 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.21 -0.663 . . . . 99.99 109.21 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -63.52 115.95 22.23 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.868 0.73 . . . . 99.99 111.272 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.11 -175.26 1.96 Allowed 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.875 2.384 . . . . 99.99 111.525 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 153' ' ' THR . . . . . 0.47 ' HA ' ' OG ' ' E' ' 347' ' ' SER . 27.8 m 62.11 81.33 0.2 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.084 0.953 . . . . 99.99 110.926 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.32 -14.83 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.116 -0.947 . . . . 99.99 111.767 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.94 -42.59 94.36 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.571 1.148 . . . . 99.99 110.018 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -85.44 -17.17 37.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.923 0.712 . . . . 99.99 112.923 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 91.9 mtp -58.53 -41.41 85.43 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.814 0.446 . . . . 99.99 111.709 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 158' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' E' ' 161' ' ' ALA . . . -166.91 120.92 1.03 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.053 0.541 . . . . 99.99 110.369 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -86.19 -66.52 0.89 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.562 -0.533 . . . . 99.99 109.562 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -94.28 -41.35 9.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.897 0.879 . . . . 99.99 110.535 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 161' ' ' ALA . . . . . 0.732 ' HB2' ' HB1' ' E' ' 158' ' ' ALA . . . 64.85 -82.05 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.03 1.332 . . . . 99.99 111.56 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 144.7 53.6 0.03 OUTLIER Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.331 -1.108 . . . . 99.99 110.331 -175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.32 152.67 38.15 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.808 0.843 . . . . 99.99 111.486 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 74.88 174.29 0.26 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.248 1.419 . . . . 99.99 112.746 172.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 49.7 m -61.48 -43.27 99.16 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 115.173 -0.921 . . . . 99.99 111.42 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.82 90.74 0.52 Allowed Glycine 0 C--N 1.34 0.753 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -100.53 125.97 46.93 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.025 0.53 . . . . 99.99 110.149 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 168' ' ' VAL . . . . . 0.445 HG22 HD13 ' E' ' 398' ' ' ILE . 55.7 t -84.84 -62.76 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.679 0.792 . . . . 99.99 109.495 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 18.0 t 74.03 -47.06 0.64 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.07 1.748 . . . . 99.99 112.721 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 4.7 m 61.77 33.93 17.57 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.281 1.032 . . . . 99.99 110.095 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.55 -17.38 60.09 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.556 -0.747 . . . . 99.99 111.923 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 172' ' ' GLU . . . . . 0.805 ' HB2' HD11 ' E' ' 329' ' ' ILE . 6.3 mp0 -90.81 158.15 16.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.841 -0.8 . . . . 99.99 108.841 174.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.12 102.82 1.07 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.46 -0.941 . . . . 99.99 108.46 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.549 HE22 ' HA ' ' E' ' 326' ' ' ASP . 29.9 tt0 -69.6 102.81 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.19 0.519 . . . . 99.99 110.272 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.63 167.88 24.44 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.363 -0.835 . . . . 99.99 108.928 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 74.52 -65.63 0.34 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.957 1.303 . . . . 99.99 110.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 29.8 m 65.38 82.71 0.2 Allowed Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.306 1.043 . . . . 99.99 111.192 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.7 121.28 5.02 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 122.985 2.457 . . . . 99.99 111.735 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.75 89.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.103 0.561 . . . . 99.99 110.718 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 180' ' ' ALA . . . . . 0.44 ' HB1' ' H ' ' E' ' 336' ' ' GLU . . . 59.48 82.24 0.15 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.754 1.222 . . . . 99.99 111.797 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.17 152.6 21.26 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.827 0.851 . . . . 99.99 109.481 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 73.1 t -68.74 104.52 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -94.25 154.05 17.73 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 123.503 0.721 . . . . 99.99 110.526 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 76.6 -7.0 1.91 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.26 1.424 . . . . 99.99 112.669 173.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.0 t 67.34 -71.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 124.918 1.287 . . . . 99.99 111.345 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m 64.23 -77.17 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.837 1.655 . . . . 99.99 112.376 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.7 m -65.75 -43.61 88.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.835 . . . . 99.99 111.288 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 61.45 102.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.934 1.294 . . . . 99.99 110.568 -172.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 81.49 -40.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.859 1.664 . . . . 99.99 111.216 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 51.9 t 79.91 -45.84 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 125.612 1.565 . . . . 99.99 112.877 171.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -79.85 -21.86 43.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.541 0.737 . . . . 99.99 111.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -163.65 153.1 23.37 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 121.224 -0.512 . . . . 99.99 113.422 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.2 -173.28 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.588 2.858 . . . . 99.99 111.845 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 194' ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' E' ' 198' ' ' GLU . 15.9 m -67.69 -35.42 78.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.375 0.27 . . . . 99.99 111.113 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 58.11 -78.63 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.329 1.452 . . . . 99.99 113.357 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 24.9 m -64.37 -31.95 73.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.313 0.645 . . . . 99.99 110.643 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.0 t -108.32 31.62 5.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.898 0.879 . . . . 99.99 110.026 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.871 ' HB2' ' HB2' ' E' ' 194' ' ' SER . 34.0 tt0 -148.85 107.89 3.89 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.051 -0.722 . . . . 99.99 109.051 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 59.98 36.05 21.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.193 0.997 . . . . 99.99 110.6 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 37.7 t -57.84 -39.95 80.11 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 114.352 -1.295 . . . . 99.99 113.074 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.44 73.53 4.53 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 120.895 1.355 . . . . 99.99 111.501 167.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -74.98 -23.61 74.16 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 115.348 -0.842 . . . . 99.99 112.046 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.02 148.71 51.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 99.99 110.443 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.6 71.68 2.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 99.99 110.148 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 17.3 tp 60.1 29.38 18.96 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.948 1.299 . . . . 99.99 111.387 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 61.19 23.8 13.97 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.574 1.149 . . . . 99.99 111.256 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -83.71 123.11 29.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.519 -0.548 . . . . 99.99 109.519 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -84.58 44.89 3.41 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 122.952 0.311 . . . . 99.99 113.303 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -98.44 -145.66 19.17 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -64.95 -55.37 19.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.951 0.501 . . . . 99.99 110.341 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 57.87 48.24 83.55 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 123.92 0.762 . . . . 99.99 114.06 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 77.7 p -123.0 151.15 42.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.369 0.668 . . . . 99.99 110.005 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' E' ' 216' ' ' GLN . 40.1 pt -69.28 -33.43 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.359 0.412 . . . . 99.99 111.258 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 28.7 m 59.51 -82.7 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.221 1.408 . . . . 99.99 112.898 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.57 0.748 . . . . 99.99 111.6 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 216' ' ' GLN . . . . . 0.611 ' HB3' HD12 ' E' ' 213' ' ' ILE . 1.0 OUTLIER -66.77 -54.67 20.32 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 45.8 tp 75.78 -36.56 0.29 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.269 1.428 . . . . 99.99 113.183 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 59.1 tp 60.98 86.72 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.943 1.297 . . . . 99.99 110.989 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -100.03 -72.51 0.66 Allowed 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.677 -0.692 . . . . 99.99 109.621 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.59 -76.78 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.887 1.275 . . . . 99.99 110.114 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -160.04 -62.19 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 168.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -174.87 -78.7 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.556 -1.202 . . . . 99.99 109.23 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -174.13 26.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.734 1.213 . . . . 99.99 108.185 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 32.4 m -79.25 -172.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 114.635 -1.166 . . . . 99.99 113.034 -162.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 6.2 m -70.55 93.2 0.89 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.235 1.014 . . . . 99.99 110.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 8.4 tt -157.76 -55.3 0.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.054 -0.721 . . . . 99.99 109.054 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -95.93 29.06 10.49 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.681 -0.691 . . . . 99.99 113.241 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 83.3 156.49 22.01 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.844 0.322 . . . . 99.99 113.135 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 85.93 -50.31 4.27 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 119.849 -0.417 . . . . 99.99 113.155 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 75.21 -50.02 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.847 1.659 . . . . 99.99 111.921 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.69 20.18 11.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.694 1.198 . . . . 99.99 110.958 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.7 t -171.11 92.7 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.762 1.225 . . . . 99.99 108.641 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 233' ' ' PHE . . . . . 0.425 ' HD2' ' HA ' ' E' ' 354' ' ' ALA . 84.4 t80 62.38 108.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.237 1.015 . . . . 99.99 111.243 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -170.98 -179.42 2.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.297 0.639 . . . . 99.99 110.973 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 58.31 42.94 20.82 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.837 1.336 . . . . 99.99 112.031 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 66.8 m -81.27 -38.6 26.59 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.79 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -78.96 -29.33 43.87 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.879 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 29.9 m -106.29 96.53 6.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.746 . . . . 99.99 109.183 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 69.92 178.08 0.26 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.631 1.172 . . . . 99.99 111.932 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 90.47 -16.22 58.26 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 115.806 -0.634 . . . . 99.99 112.302 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 241' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' E' ' 242' ' ' TRP . 8.6 tp10 -89.26 -176.33 5.06 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.046 0.938 . . . . 99.99 109.448 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 242' ' ' TRP . . . . . 0.477 ' H ' ' HG3' ' E' ' 241' ' ' GLU . 32.9 t90 84.31 -49.53 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 126.269 1.828 . . . . 99.99 108.654 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.555 ' HB3' ' HB3' ' E' ' 381' ' ' GLU . 75.7 mt-30 71.55 165.13 0.29 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.425 1.49 . . . . 99.99 113.415 164.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 140.39 -172.08 23.69 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.932 -1.031 . . . . 99.99 111.108 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 112.95 8.77 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.449 0.7 . . . . 99.99 110.406 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.554 HG22 ' HB3' ' E' ' 248' ' ' ARG . 21.5 m 55.78 107.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.989 1.316 . . . . 99.99 113.518 163.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.11 -23.58 65.61 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.469 0.708 . . . . 99.99 111.506 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.554 ' HB3' HG22 ' E' ' 246' ' ' THR . 3.9 tpp180 -62.03 -14.57 37.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.902 1.281 . . . . 99.99 112.508 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' E' ' 252' ' ' GLN . 19.0 pt-20 -47.92 -27.38 2.13 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.8 1.24 . . . . 99.99 113.721 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.41 -52.91 59.57 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.407 1.083 . . . . 99.99 111.126 175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 251' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' E' ' 248' ' ' ARG . . . -84.82 -13.99 49.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.323 1.049 . . . . 99.99 112.042 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 252' ' ' GLN . . . . . 0.516 ' HB3' ' HA ' ' E' ' 249' ' ' GLU . 27.3 tt0 -73.51 -13.79 61.11 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.28 1.032 . . . . 99.99 111.195 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -45.55 -59.62 2.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.36 1.064 . . . . 99.99 111.704 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 58.76 -172.19 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.56 1.144 . . . . 99.99 112.858 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -129.73 98.52 0.43 Allowed Glycine 0 C--N 1.34 0.782 0 N-CA-C 109.692 -1.363 . . . . 99.99 109.692 172.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -83.08 -82.73 0.14 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.436 -0.579 . . . . 99.99 109.436 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 52.81 23.78 2.94 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.707 1.203 . . . . 99.99 112.665 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.16 67.32 9.69 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.991 0.901 . . . . 99.99 108.575 -173.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -49.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 125.688 1.595 . . . . 99.99 106.866 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 15.5 p -88.16 -45.53 10.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.113 0.965 . . . . 99.99 109.413 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.69 91.98 4.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.277 0.631 . . . . 99.99 109.446 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -89.94 1.4 56.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.477 1.111 . . . . 99.99 112.632 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.28 42.74 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.129 0.971 . . . . 99.99 112.804 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 23.5 m 65.2 3.22 2.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.735 1.214 . . . . 99.99 114.002 173.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 265' ' ' LEU . . . . . 0.403 ' HB3' ' OG ' ' E' ' 267' ' ' SER . 0.5 OUTLIER 65.46 0.51 1.41 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 125.09 1.356 . . . . 99.99 111.739 -178.007 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 53.57 32.83 15.04 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.468 1.107 . . . . 99.99 112.504 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 267' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' E' ' 265' ' ' LEU . 13.6 m -75.88 71.45 2.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.959 0.904 . . . . 99.99 111.554 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.01 -21.03 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.21 0.604 . . . . 99.99 110.93 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 30.4 m -125.01 108.88 12.3 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 72.68 176.27 0.27 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.157 1.383 . . . . 99.99 111.529 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.0 27.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.529 0.732 . . . . 99.99 112.803 -170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -88.58 -55.74 3.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.86 0.464 . . . . 99.99 111.653 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.28 -165.87 1.21 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.942 0.719 . . . . 99.99 112.942 -165.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -127.38 -40.2 1.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.6 1.16 . . . . 99.99 109.213 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -112.77 127.16 27.19 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.16 0.984 . . . . 99.99 109.437 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.533 ' HB2' HD12 ' C' ' 89' ' ' ILE . 8.2 Cg_endo -89.15 -82.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.123 2.548 . . . . 99.99 112.143 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' C' ' 94' ' ' MET . 1.5 tt 51.06 -85.42 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.636 1.575 . . . . 99.99 111.24 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 74.4 mt -145.55 -167.03 2.59 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.408 1.083 . . . . 99.99 109.329 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 74.87 -100.46 1.22 Allowed Glycine 0 C--N 1.345 1.033 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.307 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.699 HD13 ' H ' ' E' ' 282' ' ' ALA . 2.5 tm? 62.67 -83.75 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.345 1.058 . . . . 99.99 109.103 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.602 ' HD2' ' HB2' ' C' ' 137' ' ' PHE . 14.7 m-85 53.95 14.41 0.68 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.542 1.137 . . . . 99.99 113.979 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 282' ' ' ALA . . . . . 0.699 ' H ' HD13 ' E' ' 280' ' ' LEU . . . -93.47 -173.8 3.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.807 1.243 . . . . 99.99 110.292 176.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.38 75.82 0.38 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.615 1.166 . . . . 99.99 110.606 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -140.88 -114.45 1.11 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-O 119.357 -0.691 . . . . 99.99 111.945 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 10.2 t30 63.31 97.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.379 1.072 . . . . 99.99 111.713 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.67 153.9 23.85 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.149 0.58 . . . . 99.99 109.93 176.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.47 133.5 22.59 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.541 2.16 . . . . 99.99 110.549 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.7 -44.76 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 C-N-CA 123.336 0.655 . . . . 99.99 110.464 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? 56.99 73.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.445 1.098 . . . . 99.99 110.21 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -96.95 174.19 6.9 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.047 -1.433 . . . . 99.99 110.41 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -124.87 176.92 17.02 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.57 -174.32 1.23 Allowed 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.125 2.55 . . . . 99.99 112.594 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? 76.85 -43.16 0.44 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 125.648 1.579 . . . . 99.99 112.697 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.64 80.05 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.874 0.87 . . . . 99.99 111.911 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 27.1 m -81.86 131.4 35.25 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.509 -0.769 . . . . 99.99 109.027 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.648 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 32.8 m-85 73.23 24.86 2.34 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.657 1.583 . . . . 99.99 111.9 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.33 -41.63 98.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.415 0.686 . . . . 99.99 110.634 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -169.39 108.03 0.28 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.463 -0.655 . . . . 99.99 111.463 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -164.39 -32.11 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.558 0.743 . . . . 99.99 110.576 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.457 ' HA ' HH12 ' D' ' 15' ' ' ARG . 91.3 mt -88.38 126.64 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.572 0.749 . . . . 99.99 109.082 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.91 68.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.255 1.422 . . . . 99.99 109.824 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.407 ' HB3' ' HD3' ' E' ' 304' ' ' PRO . 17.8 tppt? -168.23 -60.95 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.838 -174.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' B' ' 127' ' ' ASN . 44.0 Cg_endo -96.25 28.57 0.21 Allowed 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 122.933 2.422 . . . . 99.99 111.956 -170.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -120.16 141.19 50.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.233 1.013 . . . . 99.99 109.729 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 38.4 t -79.36 105.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.6 p -135.8 167.6 20.85 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.059 0.943 . . . . 99.99 109.556 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' E' ' 92' ' ' GLY . 27.8 p -63.6 126.14 26.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.964 0.505 . . . . 99.99 109.874 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 309' ' ' THR . . . . . 0.479 ' HA ' ' HA2' ' E' ' 89' ' ' GLY . 10.2 t -83.71 118.09 70.45 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 123.15 0.58 . . . . 99.99 111.292 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -93.15 -179.0 0.85 Allowed 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.798 2.332 . . . . 99.99 112.049 171.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -109.05 144.66 30.12 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 115.234 -0.894 . . . . 99.99 108.716 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.19 85.2 1.05 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.045 1.83 . . . . 99.99 111.158 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.53 -20.42 65.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.484 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -114.72 46.8 1.34 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.708 0.803 . . . . 99.99 108.95 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -66.19 96.16 0.32 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.491 -0.929 . . . . 99.99 108.491 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -163.39 102.23 0.95 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.351 -0.841 . . . . 99.99 109.661 -169.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 317' ' ' SER . . . . . 0.57 ' HB2' ' HG3' ' E' ' 432' ' ' GLN . 69.5 m -143.84 151.97 40.59 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.807 0.843 . . . . 99.99 109.985 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 24.5 m -126.47 147.34 59.91 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.934 0.894 . . . . 99.99 110.181 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.48 128.53 26.29 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.586 2.19 . . . . 99.99 111.094 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 28.8 m -45.98 -45.49 15.73 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.357 1.463 . . . . 99.99 114.36 -168.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 20.3 tp -139.19 21.7 2.59 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.012 0.434 . . . . 99.99 110.411 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.97 28.95 13.45 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.82 1.248 . . . . 99.99 114.269 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 63.35 104.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.509 1.124 . . . . 99.99 111.484 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.46 145.43 9.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.52 0.728 . . . . 99.99 109.372 173.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 9.8 t -157.34 150.63 23.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.981 0.913 . . . . 99.99 109.678 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.549 ' HA ' HE22 ' E' ' 174' ' ' GLN . 60.4 m-20 -102.0 -114.64 0.2 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.423 0.689 . . . . 99.99 109.169 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm 77.57 -29.7 0.17 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.305 1.442 . . . . 99.99 114.336 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.92 62.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.087 0.555 . . . . 99.99 111.671 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.805 HD11 ' HB2' ' E' ' 172' ' ' GLU . 8.0 tp -66.68 -27.23 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.295 1.038 . . . . 99.99 111.527 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.57 -28.13 68.28 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.644 0.778 . . . . 99.99 111.318 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.524 ' HA ' ' HE3' ' E' ' 334' ' ' LYS . 84.5 mt -75.81 -30.67 59.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.627 0.771 . . . . 99.99 110.3 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 28.5 tp -79.38 145.13 33.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.417 -0.811 . . . . 99.99 109.318 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 32.6 t 66.54 13.34 9.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.392 1.077 . . . . 99.99 110.823 -169.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' E' ' 331' ' ' LEU . 13.7 ttpp -136.21 29.23 3.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.387 0.675 . . . . 99.99 109.705 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.57 111.86 8.11 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.323 -0.621 . . . . 99.99 109.323 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.44 ' H ' ' HB1' ' E' ' 180' ' ' ALA . 42.2 mt-10 64.66 18.23 11.3 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.537 1.135 . . . . 99.99 111.593 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -84.95 135.82 33.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.173 -0.921 . . . . 99.99 109.085 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 338' ' ' GLY . . . . . 0.515 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . 111.62 4.95 26.34 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-O 120.064 -0.298 . . . . 99.99 113.311 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.04 156.67 27.39 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.372 0.669 . . . . 99.99 109.565 170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -72.32 78.58 1.0 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.548 0.689 . . . . 99.99 110.624 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.2 tp -87.26 -38.94 15.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.926 -1.034 . . . . 99.99 108.852 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -114.58 92.4 3.94 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.896 0.878 . . . . 99.99 108.977 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 4.1 p -146.15 108.89 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.26 161.55 19.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.49 1.116 . . . . 99.99 109.673 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -65.8 -83.28 0.1 OUTLIER Glycine 0 C--N 1.344 0.988 0 O-C-N 124.03 0.831 . . . . 99.99 111.831 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 72.25 -35.64 0.33 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.567 1.547 . . . . 99.99 113.003 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 347' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' E' ' 153' ' ' THR . 29.9 t -79.95 85.87 5.52 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.616 0.766 . . . . 99.99 110.397 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.73 126.63 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 N-CA-C 108.103 -1.073 . . . . 99.99 108.103 172.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -110.51 155.71 21.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.696 0.798 . . . . 99.99 110.883 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 55.4 tttm 82.82 116.46 0.05 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.826 1.651 . . . . 99.99 110.862 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 67.01 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.298 1.439 . . . . 99.99 111.331 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 352' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' E' ' 355' ' ' ALA . 15.5 t70 -170.79 161.53 7.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.387 0.675 . . . . 99.99 109.32 -169.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -49.12 -37.36 21.59 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.363 1.465 . . . . 99.99 112.883 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 354' ' ' ALA . . . . . 0.425 ' HA ' ' HD2' ' E' ' 233' ' ' PHE . . . -152.93 -47.8 0.1 Allowed 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.061 0.944 . . . . 99.99 110.253 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 355' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' E' ' 352' ' ' ASP . . . 71.12 -74.33 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.626 1.57 . . . . 99.99 111.316 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 102.51 -59.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.698 0 C-N-CA 128.276 2.63 . . . . 99.99 110.562 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.518 ' HD3' ' HG2' ' E' ' 376' ' ' GLU . 98.3 Cg_endo -75.04 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-N 121.924 1.723 . . . . 99.99 111.672 169.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 38.6 t -121.46 24.17 10.01 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.061 -0.972 . . . . 99.99 108.81 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 359' ' ' GLY . . . . . 0.405 ' O ' HG13 ' E' ' 361' ' ' ILE . . . 138.34 -116.54 1.31 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.561 -1.416 . . . . 99.99 109.561 -170.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 47.44 26.7 0.81 Allowed 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 125.926 1.69 . . . . 99.99 114.04 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.405 HG13 ' O ' ' E' ' 359' ' ' GLY . 85.8 mt -87.96 139.29 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.162 0.985 . . . . 99.99 109.667 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 132.29 170.76 12.62 Favored Glycine 0 N--CA 1.471 0.974 0 N-CA-C 111.557 -0.617 . . . . 99.99 111.557 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.39 86.88 0.43 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.186 0.517 . . . . 99.99 109.9 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 36.0 m -154.85 103.94 2.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.151 0.98 . . . . 99.99 108.528 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.15 139.42 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.349 0.66 . . . . 99.99 109.588 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 366' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' E' ' 369' ' ' GLU . 15.0 t70 -126.15 149.57 48.88 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.371 -1.344 . . . . 99.99 107.371 170.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.46 -42.23 86.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.771 0.428 . . . . 99.99 111.993 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.04 -41.66 63.94 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.213 0.605 . . . . 99.99 110.646 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 38.2 tt0 -64.8 -34.29 78.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.947 0.899 . . . . 99.99 112.287 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -55.84 -16.0 3.98 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.097 1.147 . . . . 99.99 114.097 -170.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 13.6 p -59.51 -24.49 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 124.24 1.016 . . . . 99.99 112.09 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' E' ' 376' ' ' GLU . 0.0 OUTLIER -59.57 -27.15 66.0 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 112.776 0.658 . . . . 99.99 112.776 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.459 ' HG3' ' OE1' ' E' ' 372' ' ' GLN . 51.5 mtp180 -58.77 -38.57 78.78 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.269 0.627 . . . . 99.99 111.006 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.58 39.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.199 -0.909 . . . . 99.99 110.502 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.38 -20.56 65.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.619 0.768 . . . . 99.99 112.409 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 376' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' E' ' 372' ' ' GLN . 52.1 mt-10 -59.27 -45.71 90.49 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.74 0.816 . . . . 99.99 111.277 174.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 377' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' E' ' 380' ' ' LYS . 93.7 m-85 -68.18 -46.02 71.85 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.052 0.541 . . . . 99.99 110.276 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.16 -10.84 60.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.722 0.809 . . . . 99.99 112.548 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 379' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' E' ' 379' ' ' LYS . 0.3 OUTLIER -61.64 -41.0 96.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.148 0.979 . . . . 99.99 110.975 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 380' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 22.6 pttp -69.87 3.21 2.75 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.72 1.007 . . . . 99.99 113.72 -169.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 381' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' E' ' 243' ' ' GLN . 40.4 mm-40 -64.62 98.23 0.25 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.951 0.5 . . . . 99.99 109.713 165.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 159.6 104.59 0.2 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 116.436 -0.347 . . . . 99.99 112.675 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -128.03 -39.49 1.75 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.079 0.951 . . . . 99.99 109.042 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 11.3 m 62.82 -80.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.569 1.548 . . . . 99.99 110.717 -175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 81.5 mt 58.53 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.521 1.528 . . . . 99.99 113.197 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 47.3 t -81.22 104.85 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.277 0.631 . . . . 99.99 110.783 -171.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.78 101.12 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.232 -1.396 . . . . 99.99 107.232 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.14 111.21 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.402 0.62 . . . . 99.99 110.511 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.2 t -144.95 157.8 44.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.681 0.792 . . . . 99.99 110.33 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.86 108.12 10.87 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.287 -0.634 . . . . 99.99 109.287 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.8 161.18 17.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.877 0.871 . . . . 99.99 111.825 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 392' ' ' HIS . . . . . 0.466 ' HB2' ' HA2' ' E' ' 338' ' ' GLY . 51.5 p-80 -60.23 -8.36 2.48 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.569 1.547 . . . . 99.99 113.683 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -62.77 -167.17 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.696 1.198 . . . . 99.99 113.072 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 394' ' ' HIS . . . . . 0.46 ' HA ' ' O ' ' E' ' 397' ' ' GLN . 83.2 t60 -47.74 -24.99 1.08 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.884 1.273 . . . . 99.99 113.494 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -48.0 -41.09 24.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.47 1.108 . . . . 99.99 113.072 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 56.6 p -106.68 -4.48 19.46 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.547 0.739 . . . . 99.99 112.942 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' E' ' 394' ' ' HIS . 15.1 pt20 -157.88 125.09 5.07 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.283 0.563 . . . . 99.99 112.252 -173.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 398' ' ' ILE . . . . . 0.445 HD13 HG22 ' E' ' 168' ' ' VAL . 3.1 mp -108.33 -44.93 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.831 0.853 . . . . 99.99 108.779 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.589 HG13 ' H ' ' E' ' 400' ' ' ALA 0.297 5.7 p 37.47 -94.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 126.543 1.937 . . . . 99.99 113.073 -171.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.589 ' H ' HG13 ' E' ' 399' ' ' VAL 0.294 . . 92.21 -86.73 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.63 0 C-N-CA 126.425 1.89 . . . . 99.99 114.581 172.132 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.7 129.43 11.72 Favored 'Trans proline' 0 C--N 1.401 3.336 0 CA-C-N 123.562 2.308 . . . . 99.99 113.295 -165.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.4 -25.9 46.28 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.606 0.762 . . . . 99.99 110.187 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -75.99 -40.16 54.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.12 0.968 . . . . 99.99 111.139 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.75 -86.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.141 1.376 . . . . 99.99 110.941 -170.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -150.3 79.54 7.42 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.676 0.79 . . . . 99.99 109.877 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -89.49 148.42 5.2 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 122.641 2.227 . . . . 99.99 112.139 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -74.09 -78.33 0.59 Allowed Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.521 -1.032 . . . . 99.99 110.521 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 86.9 mt 46.82 34.28 2.55 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.331 1.452 . . . . 99.99 113.563 172.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.4 m -74.14 99.69 3.45 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.762 -0.653 . . . . 99.99 109.976 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -84.88 1.05 48.88 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.288 -0.869 . . . . 99.99 111.069 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -61.74 110.24 1.46 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 123.613 0.765 . . . . 99.99 109.85 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.653 HD23 ' H ' ' E' ' 412' ' ' LEU . 1.9 pt? -103.55 34.33 3.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.53 0.732 . . . . 99.99 110.292 -177.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -63.19 95.94 0.09 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.835 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 9.8 t -67.8 154.13 42.22 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.266 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.499 ' HG2' ' HB3' ' E' ' 41' ' ' PRO . 8.3 mtmp? -122.69 26.11 8.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.964 0.905 . . . . 99.99 108.763 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -125.45 -18.42 5.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.727 0.811 . . . . 99.99 111.151 -169.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.34 -51.0 29.17 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.819 -0.434 . . . . 99.99 114.036 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 52.47 85.08 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.61 1.164 . . . . 99.99 111.707 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 419' ' ' VAL . . . . . 0.597 ' HB ' HD12 ' E' ' 38' ' ' ILE . 93.3 t -54.7 -48.55 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.132 0.573 . . . . 99.99 110.806 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 57.5 ttp -155.08 -70.33 0.12 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.5 m -95.19 154.85 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.284 0.633 . . . . 99.99 110.618 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 24.2 ttt -89.32 -66.35 0.93 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.378 -0.828 . . . . 99.99 109.97 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 44.8 m -117.52 95.53 5.0 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.403 0.681 . . . . 99.99 110.374 -171.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.74 -37.76 15.24 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -110.71 -149.32 11.9 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.227 -0.897 . . . . 99.99 111.966 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -153.77 155.89 36.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.285 0.634 . . . . 99.99 109.717 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 51.1 p -76.96 100.74 5.7 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 165.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -139.69 0.31 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.739 0.816 . . . . 99.99 110.73 -172.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.35 -38.23 68.63 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.472 0.709 . . . . 99.99 111.96 -168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.52 -38.23 77.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.184 0.516 . . . . 99.99 110.073 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 22.2 m -64.35 -28.25 69.57 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.254 -0.885 . . . . 99.99 111.082 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 432' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' E' ' 317' ' ' SER . 20.7 tp60 -86.72 0.53 54.49 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 124.529 1.132 . . . . 99.99 110.569 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 82.39 -58.5 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.457 1.903 . . . . 99.99 111.454 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 74.2 t60 69.62 13.72 8.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.373 1.069 . . . . 99.99 111.758 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.413 HG22 ' H ' ' E' ' 436' ' ' GLY . 5.1 m -135.32 177.41 7.83 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.789 0.836 . . . . 99.99 110.267 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 436' ' ' GLY . . . . . 0.413 ' H ' HG22 ' E' ' 435' ' ' THR . . . -114.67 86.61 0.42 Allowed Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.433 -0.667 . . . . 99.99 111.433 170.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 76.3 p -76.72 -24.79 53.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.109 0.564 . . . . 99.99 111.204 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -71.88 88.89 1.05 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.455 0.702 . . . . 99.99 109.763 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.3 158.49 0.15 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 99.99 111.868 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -105.68 94.08 5.0 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.422 -0.955 . . . . 99.99 108.422 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.13 132.2 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.153 -0.93 . . . . 99.99 109.419 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 69.46 28.16 4.74 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.888 1.275 . . . . 99.99 111.939 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -107.04 171.15 7.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.306 0.642 . . . . 99.99 111.81 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 67.14 177.63 0.24 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.261 1.424 . . . . 99.99 111.41 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 149.73 -174.97 29.08 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 120.018 -0.323 . . . . 99.99 113.277 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.92 135.57 56.31 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 123.349 2.7 . . . . 99.99 112.092 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.22 -22.73 20.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.177 0.591 . . . . 99.99 110.602 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 61.12 32.79 19.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.579 1.151 . . . . 99.99 111.525 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -120.04 175.42 5.93 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.781 0.832 . . . . 99.99 111.459 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -77.52 172.79 12.8 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.948 0.899 . . . . 99.99 110.421 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.52 HG22 ' H ' ' E' ' 452' ' ' VAL . 9.1 p -108.95 177.47 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.278 0.631 . . . . 99.99 110.401 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.52 ' H ' HG22 ' E' ' 451' ' ' VAL . 93.9 t -54.32 99.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 124.701 1.2 . . . . 99.99 111.224 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -137.59 38.5 1.71 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 108.919 -1.672 . . . . 99.99 108.919 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.43 HD21 ' SG ' ' A' ' 97' ' ' CYS . 2.2 pp -79.86 133.21 36.24 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.818 -1.191 . . . . 99.99 111.805 -169.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -136.95 -96.71 0.21 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.0 0.92 . . . . 99.99 109.719 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.56 78.66 0.2 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.389 1.076 . . . . 99.99 111.543 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -80.57 97.81 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.473 0.654 . . . . 99.99 109.358 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.537 ' HB ' HG13 ' A' ' 131' ' ' VAL . 2.2 m -88.4 -81.72 0.25 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.167 -170.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -171.09 -177.9 2.31 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.664 0.786 . . . . 99.99 109.113 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 35.1 tp -93.55 137.61 32.65 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.015 0.825 . . . . 99.99 109.486 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.54 115.55 8.34 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.221 0.534 . . . . 99.99 110.351 -175.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -139.87 -154.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 106.792 -1.559 . . . . 99.99 106.792 171.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 463' ' ' THR . . . . . 0.548 HG23 ' HA ' ' A' ' 41' ' ' LYS . 48.0 m -68.39 83.47 0.26 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.195 -1.409 . . . . 99.99 107.195 166.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 72.1 mtm -70.85 116.59 11.32 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.926 -1.034 . . . . 99.99 110.751 -169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.41 -27.79 66.33 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.541 -1.209 . . . . 99.99 111.127 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -72.74 86.0 1.22 Allowed 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 167.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -70.38 139.64 51.94 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.114 -0.948 . . . . 99.99 111.684 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' E' ' 135' ' ' VAL . 3.4 pp -70.56 -21.33 62.71 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.678 -0.692 . . . . 99.99 111.241 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 158.97 -164.77 33.9 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.345 -0.843 . . . . 99.99 111.075 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.671 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 84.8 mt 63.64 23.01 13.38 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.589 1.156 . . . . 99.99 112.427 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 -174.632 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.956 -0.386 . . . . 99.99 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -120.51 141.36 50.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.92 0.888 . . . . 99.99 109.595 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -80.87 167.77 19.52 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.797 0.439 . . . . 99.99 111.006 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 64.6 11.36 6.63 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.714 1.206 . . . . 99.99 111.741 -172.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.5 -174.89 4.48 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 106.618 -1.623 . . . . 99.99 106.618 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -117.38 -73.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.132 -1.432 . . . . 99.99 107.132 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 m 56.62 -75.33 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.938 1.695 . . . . 99.99 113.282 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 74.22 140.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.096 1.758 . . . . 99.99 109.961 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.59 ' HG2' ' HB ' ' E' ' 451' ' ' VAL . 0.5 OUTLIER -156.14 152.97 28.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.764 0.826 . . . . 99.99 109.722 -169.587 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -138.85 141.99 38.63 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.257 0.623 . . . . 99.99 110.618 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' HB2' HG13 ' E' ' 451' ' ' VAL . 72.4 t80 -120.33 133.88 55.37 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.425 1.09 . . . . 99.99 108.819 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 -139.32 135.7 34.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.054 0.542 . . . . 99.99 110.161 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 87.02 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 27.8 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 12.57 109.554 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 37.56 110.244 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.892 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 5.43 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 6.92 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 5.61 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 12.68 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 32.78 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.771 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 57.34 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG22 ' HG ' ' E' ' 468' ' ' LEU . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 48.36 109.154 -175.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 97.85 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.622 HG21 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 43.33 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 41.53 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 88.8 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 73.87 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.04 106.608 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 98' ' ' LEU . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 54.22 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 29.36 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 19.86 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 13.6 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 17.22 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.659 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 14.92 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 21.43 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 23.61 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 57.75 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 93.1 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 30.12 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 22.88 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 30.01 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 14.44 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.659 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 9.47 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' O ' HD13 ' A' ' 106' ' ' LEU . 64.0 tp60 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 20.02 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t -118.37 115.41 24.63 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 1.7 mp -97.39 149.95 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 125.034 1.334 . . . . 99.99 108.399 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.56 144.8 20.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.284 0.634 . . . . 99.99 110.096 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.45 8.24 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 123.963 0.79 . . . . 99.99 114.705 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -130.96 177.2 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 123.704 0.802 . . . . 99.99 112.334 -166.019 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HA ' ' SD ' ' A' ' 94' ' ' MET . 0.0 OUTLIER -149.08 179.66 7.71 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.194 0.997 . . . . 99.99 110.86 -171.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.39 -135.17 51.95 Favored Glycine 0 C--N 1.356 1.667 0 O-C-N 123.777 0.673 . . . . 99.99 114.324 170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -65.7 -23.67 66.82 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.491 0.716 . . . . 99.99 112.232 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -62.42 -56.05 21.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 90' ' ' GLU . 13.5 ptm -77.99 -18.95 55.35 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.013 -0.539 . . . . 99.99 111.264 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.01 41.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.293 0.637 . . . . 99.99 112.414 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -91.58 -18.72 23.63 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 117.995 -1.002 . . . . 99.99 112.682 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.809 ' HB2' HG13 ' E' ' 452' ' ' VAL . 31.5 t -53.06 -40.39 63.97 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.943 0.878 . . . . 99.99 112.811 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -73.95 -10.32 59.52 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 113.435 -1.711 . . . . 99.99 112.793 -179.492 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' E' ' 454' ' ' LEU . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 95.56 114.204 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 94.48 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 73.2 114.271 -172.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.445 ' HD3' HG11 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 48.9 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 94.19 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 55.88 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 21.71 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.431 ' HD1' HD11 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 15.39 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 9.95 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 20.66 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 7.34 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.604 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 15.45 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 4.41 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 7.34 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 7.28 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 4.96 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 48.88 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 26.6 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 17.97 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 8.38 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.42 HG21 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 20.1 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 13.71 108.749 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.582 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 20.05 112.693 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 56.76 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 62.97 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' E' ' 138' ' ' TYR . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 56.46 111.124 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.604 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 77.42 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.616 HG12 HE22 ' C' ' 4' ' ' GLN . 18.0 m -101.08 135.45 37.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -82.45 64.91 7.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.012 0.925 . . . . 99.99 112.337 -167.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HG ' ' A' ' 136' ' ' LEU . 23.9 m-85 -60.71 -28.57 68.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.923 -0.485 . . . . 99.99 111.084 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.03 -28.95 64.93 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.773 0.829 . . . . 99.99 111.0 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' HB3' ' HZ ' ' E' ' 461' ' ' PHE . . . -82.27 -17.26 46.55 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 133' ' ' PHE . 4.2 pp -71.78 -20.61 61.84 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.268 0.94 . . . . 99.99 110.218 175.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.55 -27.47 69.28 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.272 0.629 . . . . 99.99 111.268 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 97.5 mmm -57.9 -26.39 62.1 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.156 0.583 . . . . 99.99 111.499 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.578 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 45.0 m-80 -55.88 -61.06 2.62 Favored 'General case' 0 C--N 1.364 1.198 0 O-C-N 123.535 0.522 . . . . 99.99 109.94 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -57.11 -31.58 65.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.215 0.947 . . . . 99.99 111.758 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.658 ' HG ' ' HG3' ' A' ' 142' ' ' GLN . 25.9 tp -68.93 -56.06 9.06 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 123.398 0.436 . . . . 99.99 111.396 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.658 ' HG3' ' HG ' ' A' ' 141' ' ' LEU . 57.8 mt-30 -157.63 -15.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 112.773 0.657 . . . . 99.99 112.773 -169.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 17.5 mm-40 -94.88 -17.23 22.23 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.563 0.949 . . . . 99.99 113.563 -165.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 139' ' ' ASN . 12.6 pt20 -85.55 -27.05 25.81 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.297 0.499 . . . . 99.99 110.139 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.2 150.94 1.21 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.975 1.31 . . . . 99.99 108.319 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 108.68 -113.48 3.79 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.69 -0.564 . . . . 99.99 111.69 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.52 -58.14 3.51 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.257 0.623 . . . . 99.99 110.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.63 82.25 0.37 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 110.624 -0.99 . . . . 99.99 110.624 -168.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 11.8 m -61.24 98.63 0.08 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.433 1.093 . . . . 99.99 111.098 -174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 59.98 28.76 18.33 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.267 1.427 . . . . 99.99 112.152 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 62.08 -86.81 0.02 OUTLIER 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.011 1.324 . . . . 99.99 110.496 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -139.31 -4.84 1.45 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.182 0.993 . . . . 99.99 110.181 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.16 142.46 27.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.364 1.066 . . . . 99.99 110.43 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -94.24 -18.19 21.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.503 0.721 . . . . 99.99 109.844 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.527 1.131 . . . . 99.99 109.604 -176.219 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.88 -0.415 . . . . 99.99 109.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' B' ' 147' ' ' GLU . 38.5 t -81.25 168.86 18.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.98 0.912 . . . . 99.99 111.209 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' B' ' 93' ' ' GLN . 3.9 tm-20 -81.01 -36.53 30.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.814 0.845 . . . . 99.99 109.427 170.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.42 ' HG2' ' OG ' ' B' ' 2' ' ' SER . 10.8 pt20 -83.46 -168.48 2.12 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.565 0.746 . . . . 99.99 110.947 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 71.2 100.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.399 1.479 . . . . 99.99 110.067 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 56.77 65.84 1.31 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.183 0.993 . . . . 99.99 110.366 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.2 p -79.08 87.13 4.86 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.372 -0.831 . . . . 99.99 109.291 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.444 ' HB2' ' HB1' ' E' ' 64' ' ' ALA . 47.1 mt-10 -131.66 -62.46 0.86 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.584 -0.734 . . . . 99.99 110.271 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.475 ' SD ' HD11 ' B' ' 89' ' ' ILE . 24.1 ttt 62.43 -178.06 0.14 Allowed 'General case' 0 CA--C 1.564 1.491 0 O-C-N 124.103 0.877 . . . . 99.99 109.711 -171.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' B' ' 9' ' ' MET . 23.7 m -137.36 125.73 23.36 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 162.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.499 ' HA ' HG22 ' B' ' 86' ' ' ILE . 16.8 t80 -130.43 133.73 46.56 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 93.55 107.867 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 40.88 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 85.25 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' E' ' 128' ' ' ALA . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 95.33 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 13.6 107.438 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.423 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 23.1 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 6.51 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 19.94 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.667 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 5.14 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 19.25 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 9.84 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 18.09 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 49.39 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.544 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 98.87 110.345 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' NE2' ' B' ' 37' ' ' GLN . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.522 HG11 HD11 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 72.1 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' E' ' 7' ' ' ALA . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 96.73 108.377 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD22 HD11 ' E' ' 11' ' ' LEU . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 67.27 110.021 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 66.97 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 35.64 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 74.75 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 43.74 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 89.61 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 85.91 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.56 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 76.71 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 98.07 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 57.34 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 21.57 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 62.33 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.752 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 95.32 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 14.84 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 28.15 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 18.14 109.494 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 24.35 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 26.44 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 56.64 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 62.67 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 81.37 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 33.32 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 25.99 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 18.76 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 16.93 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.683 ' SG ' HG23 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 12.76 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 8.91 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 33.15 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 11.78 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 39.34 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 63.88 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.611 ' HB3' HG22 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 82.93 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.551 ' O ' HG22 ' E' ' 18' ' ' VAL . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 98.2 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' E' ' 19' ' ' THR . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.614 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' B' ' 3' ' ' GLU . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.614 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' E' ' 13' ' ' LEU . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.512 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 71.23 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 59.87 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.606 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 71.19 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 50.37 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 36.29 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 87.59 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 37.19 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 13.07 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 10.37 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 12.29 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 8.75 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 59.14 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 13.3 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.683 HG23 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 9.86 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 13.13 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.02 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 26.78 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 13.3 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 29.79 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 23.15 112.382 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 23.84 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 29.89 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.522 HD11 HG11 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 72.13 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 73.04 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.636 HD23 ' H ' ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 90.81 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 43.15 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.403 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 61.27 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.448 ' H ' ' HG ' ' E' ' 8' ' ' LEU . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.57 111.067 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -76.56 79.62 3.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -90.31 -10.5 43.89 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 115.661 -0.7 . . . . 99.99 110.017 164.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.606 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 8.4 t70 -57.32 -37.5 72.61 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.818 1.647 . . . . 99.99 112.336 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.37 69.63 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.013 0.821 . . . . 99.99 110.936 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.47 -35.65 76.4 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.263 1.025 . . . . 99.99 110.489 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -43.03 99.91 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.49 0.716 . . . . 99.99 110.349 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.04 -34.02 44.19 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.679 0.392 . . . . 99.99 111.833 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.4 -33.19 64.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.423 0.289 . . . . 99.99 110.434 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.16 -47.8 82.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.663 0.602 . . . . 99.99 109.673 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.479 ' HA ' ' HB3' ' B' ' 144' ' ' GLN . 97.6 mt -83.61 -3.29 57.58 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.45 -0.795 . . . . 99.99 112.154 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -74.19 -47.73 33.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.029 0.531 . . . . 99.99 110.217 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -84.15 -36.47 22.86 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.017 -0.538 . . . . 99.99 110.465 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' B' ' 141' ' ' LEU . 7.9 tp60 -61.73 -25.65 67.57 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.448 0.699 . . . . 99.99 111.205 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.1 115.0 4.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.625 0.77 . . . . 99.99 111.029 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.25 -49.41 57.43 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.934 0.771 . . . . 99.99 112.68 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 2' ' ' SER . 3.5 mp0 -72.22 94.46 1.57 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.95 -0.759 . . . . 99.99 108.95 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -167.49 49.64 0.24 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.547 -1.021 . . . . 99.99 110.547 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.2 m -66.27 -30.37 70.78 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.912 0.885 . . . . 99.99 111.98 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 69.42 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.86 1.264 . . . . 99.99 110.035 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -120.04 -45.74 2.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.307 1.043 . . . . 99.99 108.963 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -111.63 -64.78 1.24 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 106.807 -1.553 . . . . 99.99 106.807 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -142.48 -55.19 0.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 105.344 -2.095 . . . . 99.99 105.344 157.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -152.88 -56.79 0.13 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 99.99 107.262 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.801 -1.091 . . . . 99.99 109.111 171.22 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.541 ' HG3' ' HB ' ' E' ' 389' ' ' THR . 77.5 mtp . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.61 7.46 1.89 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.689 1.196 . . . . 99.99 113.67 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 58.01 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.073 1.349 . . . . 99.99 112.168 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLN . . . . . 0.616 HE22 HG12 ' A' ' 131' ' ' VAL . 16.9 mm-40 70.93 -88.06 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.354 1.462 . . . . 99.99 109.227 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' E' ' 148' ' ' GLU . 3.4 t-20 36.37 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.322 1.449 . . . . 99.99 113.702 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -65.04 81.93 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.781 1.232 . . . . 99.99 109.883 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -167.12 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.536 2.335 . . . . 99.99 106.342 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 67.22 159.8 0.15 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 126.675 1.99 . . . . 99.99 111.626 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.3 136.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.866 1.267 . . . . 99.99 112.404 177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 93.5 m -84.32 99.18 10.44 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.716 -0.615 . . . . 99.99 109.998 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' E' ' 141' ' ' ALA . 55.1 m-85 -124.62 138.43 54.31 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 166.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.442 ' HA ' ' HD2' ' E' ' 138' ' ' TYR . 0.1 OUTLIER -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' C' ' 84' ' ' PHE . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 56.3 108.12 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 13.3 mm100 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 93.16 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 11.74 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' OG1' ' D' ' 122' ' ' THR . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 6.91 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 21.95 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 5.12 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 9.28 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 8.82 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 12.04 108.263 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 30.41 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' C' ' 25' ' ' ALA . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 48.75 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.571 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 55.24 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.504 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 88.6 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.65 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 68.93 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 87.15 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.448 ' H ' ' HA ' ' E' ' 289' ' ' ARG . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 94.05 108.765 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.643 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' E' ' 285' ' ' ASN . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 71.87 108.255 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 62.96 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 35.73 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.406 ' OG ' ' HG3' ' E' ' 275' ' ' LYS . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 56.22 110.312 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 43.42 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.518 HD11 HD12 ' C' ' 83' ' ' ILE . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 94.06 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 81.86 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 29.6 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 20.9 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 69.19 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 14.53 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.42 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 114' ' ' ILE . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 17.7 108.657 -172.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 29.53 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 32.22 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 59.66 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.557 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 97.29 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 76.35 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 37.0 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 34.06 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 39.96 111.815 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 16.54 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 9.25 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 25.23 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 63.8 tp60 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 10.6 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 30.38 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' C' ' 13' ' ' ILE . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' C' ' 10' ' ' THR . 2.5 tp -131.34 128.36 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.5 173.51 14.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.739 1.215 . . . . 99.99 110.57 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.01 -60.33 0.34 Allowed Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.899 -0.591 . . . . 99.99 114.555 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.79 168.15 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.544 0.737 . . . . 99.99 111.083 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -155.03 152.07 29.19 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.695 -1.139 . . . . 99.99 108.365 -174.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.3 -136.37 13.19 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-O 119.577 -0.568 . . . . 99.99 113.106 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.465 ' HA ' HD21 ' E' ' 265' ' ' LEU . 40.5 p -61.37 -49.89 75.12 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.623 0.769 . . . . 99.99 111.827 -174.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -50.43 69.54 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.93 0.892 . . . . 99.99 110.059 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -47.14 79.77 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 114.662 -1.154 . . . . 99.99 110.881 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.08 77.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.475 0.71 . . . . 99.99 112.311 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -73.06 -25.63 60.99 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 122.355 -0.215 . . . . 99.99 111.469 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.06 -40.02 20.44 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.181 0.593 . . . . 99.99 110.716 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' E' ' 280' ' ' LEU . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 68.51 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 56.52 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 56.59 113.053 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.446 ' HG3' ' HZ ' ' E' ' 281' ' ' PHE . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 39.21 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.477 HD12 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 8.71 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 37.06 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 16.74 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 9.85 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 5.88 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 7.64 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 20.64 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 13.9 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.649 HG21 HG21 ' C' ' 64' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 8.58 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' THR . . . . . 0.46 HG23 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 8.54 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 6.56 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.561 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 5.22 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 114' ' ' ILE . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 28.53 110.124 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 17.6 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' THR . . . . . 0.46 HG23 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 15.17 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 24.81 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 29.42 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 59.85 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 41.85 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 38.57 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 24.62 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 24.48 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 68.05 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -65.24 -27.31 68.57 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.69 -47.82 83.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.552 0.741 . . . . 99.99 109.703 175.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.89 -29.16 61.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.434 1.094 . . . . 99.99 111.649 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.604 HD21 HG22 ' E' ' 288' ' ' VAL . 1.2 tt -63.72 -30.99 72.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.202 1.001 . . . . 99.99 110.216 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.38 -32.93 71.76 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.104 0.562 . . . . 99.99 110.647 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.6 -39.16 46.43 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.045 0.938 . . . . 99.99 110.843 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -54.21 -32.28 55.35 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.236 1.014 . . . . 99.99 112.592 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -42.66 -82.02 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.849 1.26 . . . . 99.99 111.933 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' E' ' 262' ' ' ALA . 41.9 tp -82.9 74.26 9.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 122.351 1.072 . . . . 99.99 109.415 174.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -122.22 -22.3 5.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.268 -1.333 . . . . 99.99 108.682 172.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 73.05 138.62 0.05 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.705 1.602 . . . . 99.99 110.143 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 17.4 pm0 -84.94 141.2 30.54 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.892 0.877 . . . . 99.99 110.882 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.09 30.58 0.76 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.681 0.792 . . . . 99.99 111.456 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.81 -39.73 2.78 Favored Glycine 0 C--N 1.35 1.309 0 N-CA-C 112.202 -0.359 . . . . 99.99 112.202 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 65.71 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.544 1.538 . . . . 99.99 111.925 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.62 164.35 34.03 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.475 -0.25 . . . . 99.99 112.475 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.0 t -153.5 43.37 0.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.828 1.251 . . . . 99.99 107.655 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.59 -34.77 69.58 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.486 -1.234 . . . . 99.99 111.835 -172.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.98 139.34 50.0 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -161.56 122.17 2.69 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.216 1.406 . . . . 99.99 107.444 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -63.01 -66.79 0.49 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.369 0.667 . . . . 99.99 112.196 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -103.13 -51.73 3.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.19 0.596 . . . . 99.99 110.445 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.7 0.8 . . . . 99.99 109.142 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.488 ' N ' ' HB3' ' E' ' 83' ' ' ALA . 13.3 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 45.43 -91.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 125.416 1.486 . . . . 99.99 113.033 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.7 ' HG3' ' HG3' ' D' ' 93' ' ' GLN . 3.9 mp0 -102.82 63.61 0.84 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.935 0.894 . . . . 99.99 109.383 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 54.21 83.41 0.08 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.111 1.364 . . . . 99.99 111.696 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.09 70.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.027 0.931 . . . . 99.99 110.284 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -77.4 109.05 10.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 121.274 0.559 . . . . 99.99 110.325 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.493 ' HB ' ' HA2' ' D' ' 88' ' ' GLY . 35.7 m -77.39 66.16 3.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.761 1.224 . . . . 99.99 109.905 175.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' E' ' 87' ' ' ALA . 27.0 mm-40 42.43 61.19 2.1 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.427 1.491 . . . . 99.99 112.11 -174.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 25.5 ttt -31.41 124.38 0.24 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.182 1.393 . . . . 99.99 113.924 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -119.28 138.91 52.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 76.43 108.377 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.657 HD13 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 79.46 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 53.22 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HB3' HG23 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 19.87 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 8.43 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 36.9 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 4.02 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 7.64 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 5.08 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 7.19 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 13.41 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 12.01 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.428 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 20.55 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 22.26 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 34.6 110.973 -170.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.455 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.636 ' HA ' HE21 ' D' ' 33' ' ' GLN . 0.0 OUTLIER -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 31.63 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 49.29 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 31.29 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' GLU . . . . . 0.65 ' HG3' HD23 ' E' ' 321' ' ' LEU . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.483 HG21 HD13 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 52.79 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 74.77 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.43 HD23 HD11 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 66.01 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 77.52 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 38.8 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 48.36 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 52.73 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.71 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 82.32 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 96.95 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 82.8 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 44.56 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.514 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 19.48 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.43 HD11 HD23 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 52.2 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 9.25 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 10.79 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 9.72 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 19.36 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 11.33 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.501 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 29.87 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 24.97 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 27.84 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 11.35 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.501 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 10.67 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 7.73 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 11.05 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 5.05 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 21.68 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.462 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.29 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 43.57 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 77.58 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 88.57 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 88' ' ' GLY . . . . . 0.493 ' HA2' ' HB ' ' D' ' 7' ' ' THR . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' D' ' 3' ' ' GLU . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.7 ' HG3' ' HG3' ' D' ' 3' ' ' GLU . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.492 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 88.9 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 95.17 111.796 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 66.02 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 54.11 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 40.76 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 34.31 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 28.69 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.471 HD21 ' HA ' ' D' ' 132' ' ' ASN . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 61.29 111.521 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.657 HG21 HD13 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 19.65 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.462 HD13 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 13.09 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 10.47 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 6.22 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 10.48 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 4.16 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 10.22 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.39 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.426 HG12 ' SG ' ' D' ' 76' ' ' CYS . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 5.37 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 7.06 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 6.71 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 5.08 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 5.65 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 10.21 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 6.99 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' C' ' 17' ' ' TYR . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 18.26 111.595 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 20.06 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 16.85 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.483 HD13 HG21 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 14.84 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 76.73 108.05 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 20.32 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.449 ' HB3' HE21 ' E' ' 313' ' ' GLN . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 28.37 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 32.68 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.688 HG21 HG22 ' E' ' 121' ' ' VAL . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 69.78 110.935 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD21 ' D' ' 104' ' ' ASN . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.59 ' HD2' HD21 ' E' ' 111' ' ' LEU . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -59.39 -44.85 92.72 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.33 -29.6 68.38 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.145 0.978 . . . . 99.99 110.081 -176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' E' ' 113' ' ' LYS . 58.1 tp -68.56 -43.8 75.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.275 1.03 . . . . 99.99 110.523 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.69 -45.63 85.82 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.817 0.847 . . . . 99.99 110.406 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.435 ' HA ' HD23 ' D' ' 141' ' ' LEU . 76.2 mtm -74.35 -18.59 60.66 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.064 -0.971 . . . . 99.99 111.365 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.7 -24.26 59.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.442 0.697 . . . . 99.99 110.524 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.73 -22.41 66.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.522 0.329 . . . . 99.99 111.821 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 138' ' ' MET . 4.0 mm? -66.94 -44.98 79.22 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.248 0.619 . . . . 99.99 110.095 173.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -92.53 30.78 1.45 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.923 0.889 . . . . 99.99 111.785 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -118.16 100.07 7.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.248 0.619 . . . . 99.99 110.61 -167.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.09 95.03 3.03 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.56 69.66 0.7 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.687 1.195 . . . . 99.99 109.055 -166.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.96 -161.31 40.92 Favored Glycine 0 C--N 1.353 1.477 0 CA-C-N 115.45 -0.796 . . . . 99.99 111.506 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.69 83.55 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.112 -1.44 . . . . 99.99 107.112 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 74.87 -21.57 1.6 Allowed Glycine 0 CA--C 1.541 1.669 0 N-CA-C 115.355 0.902 . . . . 99.99 115.355 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 12.8 t -79.06 -33.82 44.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.932 0.893 . . . . 99.99 111.35 -172.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.51 154.06 28.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.902 0.881 . . . . 99.99 110.019 -173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.08 -177.21 5.69 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.619 1.167 . . . . 99.99 108.243 167.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 69.34 116.9 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.275 1.03 . . . . 99.99 111.518 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.37 174.44 8.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.297 0.639 . . . . 99.99 111.305 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.49 81.05 0.57 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.25 0.62 . . . . 99.99 109.365 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.418 -0.81 . . . . 99.99 109.397 -178.264 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.472 ' HG2' ' HD3' ' E' ' 304' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -114.45 98.29 6.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.405 1.082 . . . . 99.99 109.101 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -128.63 120.82 27.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.155 0.582 . . . . 99.99 109.612 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 72.1 p -90.16 28.65 1.37 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.639 0.776 . . . . 99.99 111.804 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 17.7 m -142.68 22.36 1.97 Allowed 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.854 0.862 . . . . 99.99 109.196 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tp -137.77 150.43 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.465 -0.772 . . . . 99.99 111.319 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' HB2' ' B' ' 42' ' ' LEU . . . -85.34 -149.06 0.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.421 1.088 . . . . 99.99 109.949 172.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 131' ' ' VAL . 3.2 mm? 65.19 26.96 12.33 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.179 0.991 . . . . 99.99 110.476 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.46 45.57 1.29 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.367 1.067 . . . . 99.99 111.624 -172.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp 65.06 153.04 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.563 1.545 . . . . 99.99 112.36 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.568 HD11 HD22 ' B' ' 44' ' ' LEU . 2.5 mm? -118.78 151.64 50.38 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.532 0.733 . . . . 99.99 109.829 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.81 -78.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.195 2.597 . . . . 99.99 114.175 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' B' ' 95' ' ' ALA . 38.9 tp -138.96 -30.12 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.497 0.719 . . . . 99.99 110.357 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.423 HD11 ' CB ' ' E' ' 11' ' ' LEU . 2.2 mp 58.86 -83.85 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.953 1.701 . . . . 99.99 112.458 176.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.76 143.18 50.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.205 1.002 . . . . 99.99 108.561 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.456 ' H ' ' HD3' ' E' ' 17' ' ' PRO . 11.5 p -125.96 -46.99 0.04 OUTLIER Pre-proline 0 CA--C 1.573 1.832 0 N-CA-C 114.323 1.231 . . . . 99.99 114.323 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' E' ' 16' ' ' THR . 5.1 Cg_exo -77.0 100.86 1.45 Allowed 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-N 121.984 1.744 . . . . 99.99 111.483 -172.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.551 HG22 ' O ' ' B' ' 86' ' ' ILE . 6.5 p -170.46 114.84 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 123.421 0.688 . . . . 99.99 110.217 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 87' ' ' ALA . 54.0 p -124.38 -103.25 0.37 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.189 -1.862 . . . . 99.99 110.433 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -29.88 97.33 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.353 0 C-N-CA 125.598 1.559 . . . . 99.99 113.436 -168.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.23 34.79 1.11 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.965 1.098 . . . . 99.99 113.965 -162.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -157.11 130.82 8.12 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.442 -0.577 . . . . 99.99 109.442 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 38.7 m -82.07 115.03 55.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.446 0.698 . . . . 99.99 109.267 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.72 167.42 26.39 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.659 2.239 . . . . 99.99 111.818 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 66.64 19.34 10.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.714 1.206 . . . . 99.99 111.767 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.01 112.84 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.581 1.552 . . . . 99.99 112.632 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' E' ' 408' ' ' LEU . 73.4 Cg_endo -74.65 -169.64 0.64 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.792 2.328 . . . . 99.99 111.783 170.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' E' ' 408' ' ' LEU . 12.7 m -65.72 82.32 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 CA-C-O 122.384 1.088 . . . . 99.99 111.481 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -125.44 -58.63 1.42 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.473 1.109 . . . . 99.99 108.117 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' E' ' 32' ' ' ARG . 15.7 pt-20 -89.87 147.33 23.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.678 -1.146 . . . . 99.99 110.334 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -85.55 68.41 10.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.831 0.852 . . . . 99.99 109.065 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ARG . . . . . 0.46 ' HB2' ' HG3' ' E' ' 30' ' ' GLU . 15.2 ttt180 -90.38 41.35 1.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.422 1.089 . . . . 99.99 109.649 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.25 77.27 2.37 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.057 0.943 . . . . 99.99 109.703 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.28 -50.94 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.826 1.25 . . . . 99.99 108.63 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -148.02 144.44 27.94 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.122 0.969 . . . . 99.99 109.825 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.12 93.71 0.97 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 110.722 -0.951 . . . . 99.99 110.722 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -74.76 141.93 44.36 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.417 -0.957 . . . . 99.99 108.417 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.12 78.66 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 121.322 0.582 . . . . 99.99 110.303 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t 49.42 20.94 0.51 Allowed 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 126.82 2.048 . . . . 99.99 115.928 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 -46.07 2.06 Favored Pre-proline 0 CA--C 1.566 1.579 0 N-CA-C 112.325 0.491 . . . . 99.99 112.325 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -104.02 -147.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.51 2.806 . . . . 99.99 111.659 175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.18 -41.44 2.14 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.818 -0.513 . . . . 99.99 111.818 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.36 75.87 0.44 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 -175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.3 7.37 4.37 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.984 0.914 . . . . 99.99 113.147 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 70.32 -71.16 0.13 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.514 1.526 . . . . 99.99 111.105 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 77.21 -33.16 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.45 1.5 . . . . 99.99 113.476 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.42 125.16 20.76 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.886 0.874 . . . . 99.99 108.732 165.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 3.6 t 53.52 20.85 2.23 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 126.006 1.722 . . . . 99.99 113.263 -172.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.73 44.19 1.06 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.982 -0.847 . . . . 99.99 110.982 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 160.59 25.34 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.751 0.821 . . . . 99.99 110.807 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -61.28 -30.97 70.8 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.775 0.83 . . . . 99.99 111.154 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -66.73 -42.44 86.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.765 0.826 . . . . 99.99 110.544 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.31 68.77 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.393 -0.821 . . . . 99.99 111.364 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.94 82.51 0.11 Allowed 'General case' 0 C--N 1.36 1.045 0 O-C-N 124.599 1.187 . . . . 99.99 110.034 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.73 1.14 0.92 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.824 1.416 . . . . 99.99 114.824 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 72.47 167.23 0.31 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.337 1.455 . . . . 99.99 111.837 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.69 -72.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.206 -1.035 . . . . 99.99 108.206 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -152.85 -63.37 0.16 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.803 -0.814 . . . . 99.99 108.803 175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.57 -172.88 3.48 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.393 0.677 . . . . 99.99 110.448 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 22.9 m -63.98 129.27 39.38 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.354 0.662 . . . . 99.99 110.219 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.76 95.89 1.55 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 141.48 26.26 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.459 1.504 . . . . 99.99 114.419 -171.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -84.16 1.82 8.53 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.137 2.558 . . . . 99.99 111.91 170.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' B' ' 8' ' ' GLU . . . -60.1 125.86 25.29 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.018 0.927 . . . . 99.99 110.191 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.587 ' HB2' HG23 ' B' ' 89' ' ' ILE . 0.0 OUTLIER -120.86 176.3 5.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.321 0.648 . . . . 99.99 110.756 -169.782 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 57.01 112.61 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.132 1.773 . . . . 99.99 112.713 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 11' ' ' PHE . 5.2 tt -55.01 112.69 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 C-N-CA 124.644 1.178 . . . . 99.99 112.629 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 tt -91.82 -34.78 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.123 0.569 . . . . 99.99 110.348 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.93 92.89 0.03 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.824 1.25 . . . . 99.99 110.962 -166.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 31.1 tp -150.78 134.18 16.29 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.26 -0.645 . . . . 99.99 109.26 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.95 -52.95 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.842 0.857 . . . . 99.99 109.607 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.28 -133.1 2.5 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.559 -1.416 . . . . 99.99 109.559 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.64 150.81 0.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.495 1.118 . . . . 99.99 111.893 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.68 41.7 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.792 -0.64 . . . . 99.99 111.987 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.2 146.11 54.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.009 0.924 . . . . 99.99 110.556 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.74 105.42 0.66 Allowed Glycine 0 C--N 1.352 1.465 0 N-CA-C 111.129 -0.788 . . . . 99.99 111.129 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.6 154.8 3.42 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.075 1.35 . . . . 99.99 112.601 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 41.4 m -62.76 -16.12 56.39 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.844 1.258 . . . . 99.99 113.744 -170.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.0 -15.88 57.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.636 1.174 . . . . 99.99 113.079 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.16 -53.02 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.053 0.541 . . . . 99.99 109.633 169.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.445 HG22 ' HB2' ' E' ' 83' ' ' ALA . 38.1 m 65.88 120.28 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.438 1.495 . . . . 99.99 111.722 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.02 -57.65 11.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.767 0.827 . . . . 99.99 110.408 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' N ' ' D' ' 1' ' ' MET . . . 50.16 100.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.544 1.537 . . . . 99.99 113.614 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -62.56 156.83 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.811 0.845 . . . . 99.99 111.516 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.39 -89.89 0.29 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.404 0.681 . . . . 99.99 109.895 -174.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 3.1 p90 179.2 173.48 0.79 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.148 1.779 . . . . 99.99 107.982 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' D' ' 8' ' ' GLU . . . -150.13 106.27 3.46 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.24 0.459 . . . . 99.99 112.24 -172.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.6 114.2 26.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.912 0.885 . . . . 99.99 109.768 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' E' ' 94' ' ' PHE . . . -65.8 -30.39 77.11 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 124.353 1.033 . . . . 99.99 113.693 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.61 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.99 1.316 . . . . 99.99 111.701 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.54 98.74 0.13 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.196 -0.762 . . . . 99.99 111.196 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 -64.43 4.29 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.361 -0.696 . . . . 99.99 111.361 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -108.16 160.36 15.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.629 0.772 . . . . 99.99 109.459 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 94' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' D' ' 87' ' ' ALA . 44.3 m-85 -100.33 -172.38 2.2 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.656 0.782 . . . . 99.99 110.44 -173.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 137.87 54.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.731 0.812 . . . . 99.99 111.415 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.6 -56.55 0.13 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.306 -0.861 . . . . 99.99 111.133 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' D' ' 54' ' ' ASP . 47.8 mt -88.07 144.92 8.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 124.195 0.998 . . . . 99.99 111.077 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -106.16 -71.37 0.75 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.708 0.803 . . . . 99.99 109.183 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.91 125.16 34.34 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 123.762 0.825 . . . . 99.99 109.679 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.31 49.87 0.73 Allowed Pre-proline 0 CA--C 1.57 1.741 0 N-CA-C 113.238 0.829 . . . . 99.99 113.238 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -90.41 5.41 4.33 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.077 1.851 . . . . 99.99 112.779 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt 64.08 98.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.4 1.48 . . . . 99.99 109.588 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 76.4 p 53.19 46.52 26.38 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.328 1.451 . . . . 99.99 112.773 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.66 -60.33 4.24 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.876 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 105' ' ' GLN . . . . . 0.42 ' HG2' ' HD2' ' E' ' 106' ' ' TYR . 62.5 tt0 175.48 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.934 1.293 . . . . 99.99 107.785 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 106' ' ' TYR . . . . . 0.42 ' HD2' ' HG2' ' E' ' 105' ' ' GLN . 82.3 m-85 65.36 151.55 0.05 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.575 1.15 . . . . 99.99 110.935 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -89.76 136.62 32.93 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.514 -0.741 . . . . 99.99 110.368 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -66.59 -26.4 67.08 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.717 0.807 . . . . 99.99 110.92 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -52.39 -48.54 65.57 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.876 0.735 . . . . 99.99 110.095 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 57.19 19.76 5.13 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 124.975 1.422 . . . . 99.99 111.327 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' D' ' 133' ' ' PHE . 7.6 mp 52.28 33.46 12.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.851 1.66 . . . . 99.99 113.355 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.36 97.19 1.99 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.305 0.642 . . . . 99.99 110.704 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 113' ' ' LYS . . . . . 0.403 ' HD3' HD11 ' D' ' 136' ' ' LEU . 7.0 ttpm? -103.83 -18.99 14.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.177 0.991 . . . . 99.99 110.702 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 73.56 103.08 0.07 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.387 1.475 . . . . 99.99 109.863 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -63.88 101.67 0.4 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.92 0.888 . . . . 99.99 111.392 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.24 -44.46 0.04 OUTLIER Glycine 0 C--N 1.339 0.721 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.283 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 119.67 73.23 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.994 0.918 . . . . 99.99 109.455 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' E' ' 319' ' ' PRO . 6.4 Cg_exo -73.56 93.83 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.162 2.574 . . . . 99.99 110.063 172.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -133.2 -153.56 0.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 108.674 -0.862 . . . . 99.99 108.674 -170.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -62.88 130.51 45.14 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 118.608 0.64 . . . . 99.99 109.708 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.688 HG22 HG21 ' D' ' 131' ' ' VAL . 45.3 t 63.4 81.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 124.543 1.137 . . . . 99.99 110.145 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 90.5 m -142.57 106.93 4.77 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.217 -1.401 . . . . 99.99 107.217 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 123' ' ' ASP . . . . . 0.479 ' HA ' HE22 ' E' ' 313' ' ' GLN . 26.4 t70 -81.66 106.92 13.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.976 0.511 . . . . 99.99 110.633 -174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -144.35 68.52 1.26 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.184 -1.043 . . . . 99.99 108.184 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -152.99 175.0 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.868 -1.06 . . . . 99.99 110.763 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 62.27 50.86 3.66 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.375 1.07 . . . . 96.83 111.148 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -60.96 98.51 0.07 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.314 1.045 . . . . 99.99 111.792 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.424 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . . . -97.81 -170.74 2.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.084 0.954 . . . . 74.48 111.661 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.458 HG21 ' HA ' ' E' ' 471' ' ' LYS . 32.6 p -135.49 151.61 50.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.498 0.719 . . . . 99.99 112.064 -172.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 124' ' ' PRO . . . -154.03 -176.03 5.66 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.425 1.09 . . . . 99.99 110.11 173.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 59.54 -97.04 0.07 Allowed 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.894 1.278 . . . . 99.99 111.562 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.2 m 56.95 -77.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.26 1.424 . . . . 99.99 112.222 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 16.3 m -88.62 88.65 7.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.075 0.95 . . . . 99.99 110.075 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.94 158.07 53.47 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.314 -0.857 . . . . 89.58 111.937 171.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.03 126.69 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 5.51 0.47 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.911 0.884 . . . . 99.99 111.422 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 17.8 p -119.53 73.15 0.94 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.386 0.674 . . . . 99.99 110.835 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 138' ' ' TYR . . . . . 0.608 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 45.2 t80 -168.25 137.87 2.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.137 -0.938 . . . . 99.99 109.354 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -144.32 148.96 35.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 172.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.69 -167.37 33.56 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.241 0.338 . . . . 99.99 112.756 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' C' ' 11' ' ' PHE . . . -158.94 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.366 0.666 . . . . 99.99 110.737 171.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 45.8 tp -170.01 101.66 0.3 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.536 -0.913 . . . . 99.99 108.536 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.23 163.21 33.91 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 110.703 -0.959 . . . . 99.99 110.703 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.712 ' HB ' ' HB3' ' E' ' 448' ' ' ALA . 21.9 t -121.85 85.41 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -146.38 112.04 5.6 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 106.927 -1.509 . . . . 99.99 106.927 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 146' ' ' ILE . . . . . 0.579 HD12 ' HD2' ' E' ' 379' ' ' LYS . 13.0 pt -62.33 89.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 O-C-N 124.919 1.387 . . . . 99.99 112.857 -164.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.06 7.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.521 1.528 . . . . 99.99 108.635 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 148' ' ' GLU . . . . . 0.443 ' HA ' HD21 ' C' ' 5' ' ' ASN . 1.7 mp0 -70.05 -44.72 68.59 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 172.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.5 ' HG2' ' HB ' ' E' ' 435' ' ' THR . 3.8 mptt -139.37 126.81 21.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.683 0.793 . . . . 99.99 109.374 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -128.29 122.64 32.13 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.479 0.711 . . . . 99.99 109.749 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 5.9 t60 176.4 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.955 0 C-N-CA 124.755 1.222 . . . . 99.99 110.414 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.49 -8.76 19.76 Favored 'Trans proline' 0 C--N 1.402 3.391 0 C-N-CA 122.254 1.97 . . . . 99.99 112.26 -171.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 80.8 p -75.02 -47.93 26.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.43 1.492 . . . . 99.99 110.968 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -82.51 -18.13 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.757 -0.656 . . . . 99.99 110.916 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.2 -40.35 67.92 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.258 1.023 . . . . 99.99 110.642 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.86 -41.34 91.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.993 0.517 . . . . 99.99 111.826 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 16.5 tpt -173.89 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.459 -1.312 . . . . 99.99 107.459 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 166.32 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.92 1.688 . . . . 99.99 109.424 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 159' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' E' ' 160' ' ' ALA . 0.0 OUTLIER -61.93 -36.45 81.4 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.105 0.962 . . . . 99.99 113.249 -172.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 160' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' E' ' 159' ' ' LYS . . . -81.96 -25.58 34.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.564 0.346 . . . . 99.99 110.58 -177.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.34 83.81 0.38 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.532 0.733 . . . . 99.99 110.974 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 162' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' E' ' 440' ' ' ARG . . . 78.49 -81.64 1.34 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.547 -0.752 . . . . 99.99 113.888 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 60.13 -80.89 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.175 1.39 . . . . 99.99 110.339 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 57.96 -91.89 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.344 1.458 . . . . 99.99 110.865 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 4.2 m 51.1 33.91 10.06 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.54 1.136 . . . . 99.99 111.33 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -124.2 16.81 7.6 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.269 -0.878 . . . . 99.99 112.703 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -76.42 94.95 3.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.441 0.697 . . . . 99.99 109.361 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 63.3 t -77.77 -59.24 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.594 0.757 . . . . 99.99 110.746 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.3 p -67.45 110.53 3.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.8 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 65.6 m -139.19 106.73 5.57 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.292 1.037 . . . . 99.99 108.682 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -140.34 176.78 8.49 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.931 0.892 . . . . 99.99 110.02 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -78.76 83.43 4.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.553 0.741 . . . . 99.99 109.956 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.43 -18.26 65.03 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.076 0.95 . . . . 99.99 111.286 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -79.86 158.77 26.65 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 99.99 110.33 172.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -160.06 -70.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.356 1.062 . . . . 99.99 108.445 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 57.26 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.345 1.458 . . . . 99.99 110.768 -172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 121.29 81.07 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 124.076 0.951 . . . . 99.99 109.497 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -42.93 -51.52 5.38 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 124.963 3.775 . . . . 99.99 116.217 -169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -163.36 81.26 0.46 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.023 -0.732 . . . . 99.99 109.023 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 66.14 5.47 3.61 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.481 1.113 . . . . 99.99 113.318 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.44 118.83 30.23 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.237 -0.653 . . . . 99.99 109.237 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.74 144.51 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.073 0.549 . . . . 99.99 110.308 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.84 104.15 1.03 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.68 0.792 . . . . 99.99 109.292 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 81.5 t60 64.92 114.2 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.885 1.274 . . . . 99.99 111.177 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 185' ' ' VAL . . . . . 0.445 HG22 ' H ' ' E' ' 187' ' ' SER . 13.1 p -85.02 150.11 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 123.75 0.82 . . . . 99.99 109.125 174.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 27.4 m -71.3 -37.27 71.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.963 0.505 . . . . 99.99 109.658 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 187' ' ' SER . . . . . 0.445 ' H ' HG22 ' E' ' 185' ' ' VAL . 88.2 p 55.06 20.03 3.06 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.035 1.734 . . . . 99.99 113.342 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 58.72 -78.87 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.234 1.414 . . . . 99.99 111.747 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 66.16 106.89 0.04 OUTLIER 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.545 1.538 . . . . 99.99 110.987 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 70.8 m -140.27 138.51 35.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.557 0.743 . . . . 99.99 109.779 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -113.78 118.56 34.63 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.607 0.763 . . . . 99.99 109.116 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.44 65.77 2.61 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.039 -0.867 . . . . 99.99 112.414 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.36 94.17 0.2 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.933 2.422 . . . . 99.99 112.438 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 40.9 m 63.52 18.52 11.13 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.885 1.274 . . . . 99.99 112.228 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -85.83 -76.04 0.35 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.502 0.721 . . . . 99.99 109.852 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 26.9 m 73.09 -28.0 0.19 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.627 1.343 . . . . 99.99 114.627 168.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 17.0 m 60.01 47.06 10.16 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.404 1.082 . . . . 99.99 109.249 -165.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.25 64.98 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.556 -0.747 . . . . 99.99 110.78 -175.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -154.18 133.06 12.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.563 1.545 . . . . 99.99 107.02 171.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.32 -45.5 90.05 Favored Pre-proline 0 CA--C 1.556 1.203 0 O-C-N 123.713 0.633 . . . . 99.99 110.725 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -81.25 107.07 1.81 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 120.283 1.137 . . . . 99.99 109.895 161.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -82.4 57.91 4.99 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 116.179 -0.464 . . . . 99.99 113.185 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.44 72.54 0.52 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.064 1.346 . . . . 99.99 111.684 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -17.86 54.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.478 0.711 . . . . 99.99 111.221 173.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 3.7 pp 43.53 35.29 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 126.453 1.901 . . . . 99.99 113.366 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 54.49 53.41 10.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.772 1.629 . . . . 99.99 111.163 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 77.9 -49.19 0.49 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.506 1.522 . . . . 99.99 112.714 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.43 -12.41 2.25 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.342 -0.703 . . . . 99.99 111.342 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 78.17 156.5 8.94 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 111.85 -0.5 . . . . 99.99 111.85 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.01 -29.54 66.63 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.127 0.463 . . . . 99.99 111.014 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 84.74 24.7 44.74 Favored Glycine 0 C--N 1.342 0.9 0 N-CA-C 110.499 -1.04 . . . . 99.99 110.499 -169.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 40.4 p -81.27 176.06 10.07 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.758 0.823 . . . . 99.99 111.944 -172.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 15.8 pt -56.91 142.74 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.426 -1.261 . . . . 99.99 110.767 172.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 214' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' E' ' 217' ' ' LEU . 11.3 t 46.44 37.77 4.66 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.08 1.752 . . . . 99.99 113.849 175.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -61.02 1.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.995 -0.742 . . . . 99.99 108.995 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -90.76 -43.53 10.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' E' ' 214' ' ' THR . 0.7 OUTLIER 44.03 28.58 0.27 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 126.53 1.932 . . . . 99.99 113.786 -178.362 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 3.3 pp 42.6 26.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.632 1.973 . . . . 99.99 114.17 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -76.36 -29.28 57.15 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.18 0.592 . . . . 99.99 111.311 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.6 18.76 11.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.209 1.004 . . . . 99.99 111.825 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 52.98 51.84 15.03 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 124.968 1.307 . . . . 99.99 111.7 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 79.37 -39.26 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 126.025 1.73 . . . . 99.99 111.816 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 29.1 t70 69.56 128.57 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.88 1.672 . . . . 99.99 111.984 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 18.2 m -88.39 135.79 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 94.47 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.629 0.772 . . . . 99.99 111.426 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.5 mt 60.35 26.34 15.87 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.773 1.229 . . . . 99.99 112.195 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -78.71 79.28 1.57 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.979 -0.448 . . . . 99.99 111.979 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -124.66 -73.53 0.23 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 109.23 123.04 4.66 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 112.562 -0.215 . . . . 99.99 112.562 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -146.66 108.01 4.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.331 1.053 . . . . 99.99 108.571 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -116.39 105.98 13.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.707 0.803 . . . . 99.99 110.154 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 32.0 m -69.9 113.87 7.54 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.09 -42.68 37.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.528 0.731 . . . . 99.99 111.275 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.05 68.18 0.9 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.729 1.212 . . . . 99.99 110.277 -170.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -96.12 -73.33 0.6 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.485 -0.78 . . . . 99.99 111.658 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 44.1 p -70.23 -37.63 75.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.302 0.641 . . . . 99.99 111.821 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.44 -89.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.055 1.342 . . . . 99.99 111.864 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 19.2 p -156.09 -51.65 0.08 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.592 1.157 . . . . 99.99 108.871 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 60.55 87.18 0.09 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.093 1.357 . . . . 99.99 109.961 -172.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -84.03 58.36 5.01 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.878 -0.601 . . . . 99.99 112.793 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.27 -164.04 0.17 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.794 1.238 . . . . 99.99 112.946 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -91.03 -70.14 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.234 0.614 . . . . 99.99 109.632 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -150.27 -173.76 4.54 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 99.99 111.003 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 77.64 35.05 37.45 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 116.332 -0.394 . . . . 99.99 113.161 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -95.86 51.65 1.27 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.858 0.863 . . . . 99.99 111.257 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' E' ' 249' ' ' GLU . 57.1 m 55.92 -87.46 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.676 1.59 . . . . 99.99 113.946 169.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.88 -16.92 63.89 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.012 0.925 . . . . 99.99 111.561 -169.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -64.53 -11.29 32.65 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 115.059 1.503 . . . . 99.99 115.059 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' E' ' 246' ' ' THR . 69.3 mt-10 -44.28 -40.45 5.24 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 115.049 1.5 . . . . 99.99 115.049 -160.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.72 -44.97 69.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.863 0.465 . . . . 99.99 109.982 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.67 32.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.85 0.86 . . . . 99.99 112.833 -175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 252' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' E' ' 249' ' ' GLU . 11.9 pt20 -83.95 -42.68 16.02 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.715 0.406 . . . . 99.99 110.699 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.85 10.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.344 0.658 . . . . 99.99 111.079 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 60.44 91.5 0.05 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.61 1.164 . . . . 99.99 110.742 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -77.77 62.37 3.57 Favored Glycine 0 C--N 1.355 1.589 0 O-C-N 123.677 0.611 . . . . 99.99 113.355 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -173.52 166.23 4.64 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.576 1.551 . . . . 99.99 107.39 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.43 -62.78 1.33 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.764 0.426 . . . . 99.99 111.705 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 62.29 115.94 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 124.025 0.93 . . . . 99.99 110.207 -169.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 97.4 t 67.53 -76.04 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.873 1.269 . . . . 99.99 109.682 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 260' ' ' SER . . . . . 0.437 ' HB3' HD22 ' C' ' 141' ' ' LEU . 39.9 t -154.25 -50.46 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.904 0.481 . . . . 99.99 110.385 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 5.5 t70 52.56 96.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.076 1.351 . . . . 99.99 111.655 -175.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 262' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' C' ' 141' ' ' LEU . . . -76.31 -8.71 57.67 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.676 0.621 . . . . 99.99 112.676 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.78 23.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.093 0.557 . . . . 99.99 110.292 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 22.2 m -109.28 117.21 33.49 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 99.99 110.596 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 265' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' C' ' 92' ' ' THR . 4.2 pp -72.64 -28.56 62.82 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.714 0.406 . . . . 99.99 110.464 172.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.361 1.464 . . . . 99.99 109.955 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.0 m -129.34 -48.1 1.19 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.601 0.76 . . . . 99.99 110.634 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 268' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' E' ' 280' ' ' LEU . 45.7 t 58.98 86.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.934 1.294 . . . . 99.99 110.595 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 269' ' ' THR . . . . . 0.522 HG22 ' HB3' ' E' ' 274' ' ' GLN . 33.5 p -137.04 42.44 2.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.448 1.099 . . . . 99.99 109.558 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.67 -164.75 0.53 Allowed 'General case' 0 CA--C 1.566 1.586 0 C-N-CA 123.544 0.738 . . . . 99.99 112.226 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.6 -29.52 69.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.54 1.136 . . . . 99.99 113.775 -165.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -91.1 13.29 17.33 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.254 1.022 . . . . 99.99 109.82 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 83.55 163.28 0.12 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.676 1.591 . . . . 99.99 114.408 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 274' ' ' GLN . . . . . 0.522 ' HB3' HG22 ' E' ' 269' ' ' THR . 0.0 OUTLIER -84.44 30.5 0.54 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.331 -2.213 . . . . 99.99 112.827 -173.198 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.406 ' HG3' ' OG ' ' C' ' 48' ' ' SER . 73.2 mmtt -36.92 130.71 0.72 Allowed Pre-proline 0 N--CA 1.496 1.856 0 C-N-CA 125.803 1.641 . . . . 99.99 114.403 -153.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -20.58 -81.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.786 1 C-N-CA 126.777 4.985 . . . . 99.99 117.69 -160.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.3 -16.88 23.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 122.561 0.345 . . . . 99.99 110.36 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.537 HD23 ' H ' ' E' ' 278' ' ' LEU . 0.4 OUTLIER -109.14 45.75 1.03 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.545 1.138 . . . . 99.99 110.233 -168.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -75.8 75.26 1.49 Allowed Glycine 0 C--N 1.35 1.319 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.949 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.655 ' HA ' HG11 ' E' ' 268' ' ' VAL . 50.1 tp -165.53 -45.85 0.03 OUTLIER 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.554 1.141 . . . . 99.99 108.279 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.446 ' HZ ' ' HG3' ' C' ' 103' ' ' PRO . 8.0 m-85 -74.43 82.34 1.94 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.876 0.846 . . . . 99.99 109.313 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -143.5 -78.83 0.21 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.912 -1.494 . . . . 99.99 108.184 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.99 36.59 4.61 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.462 0.705 . . . . 99.99 109.662 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -71.04 83.66 0.41 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.153 -0.93 . . . . 99.99 111.07 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 285' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' C' ' 44' ' ' LEU . 89.6 m-20 -104.58 97.02 6.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.17 0.988 . . . . 99.99 109.717 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.21 117.1 67.91 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.769 -0.826 . . . . 99.99 108.769 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -63.27 -54.94 0.86 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.342 2.028 . . . . 99.99 111.472 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.604 HG22 HD21 ' C' ' 136' ' ' LEU . 30.1 t 63.71 -70.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 125.496 1.518 . . . . 99.99 112.16 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.448 ' HA ' ' H ' ' C' ' 42' ' ' LEU . 19.5 ttt85 71.19 -79.33 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.916 1.686 . . . . 99.99 109.852 -178.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.627 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 -154.67 153.39 31.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.71 0.804 . . . . 99.99 110.869 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 292' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' E' ' 293' ' ' PRO . . . -162.41 122.09 1.08 Allowed Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 293' ' ' PRO . . . . . 0.422 ' HD3' ' HA2' ' E' ' 292' ' ' GLY . 8.8 Cg_exo -71.6 95.01 0.69 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.203 2.602 . . . . 99.99 111.509 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -116.41 122.2 44.13 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.512 0.725 . . . . 99.99 109.246 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -72.55 125.65 27.95 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.708 0.803 . . . . 99.99 110.081 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 26.9 m -90.51 160.12 16.15 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.939 0.896 . . . . 99.99 110.378 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.65 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.5 m-30 75.07 124.69 0.04 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.547 1.539 . . . . 99.99 112.28 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -169.52 -73.54 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 106.153 -1.795 . . . . 99.99 106.153 176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 56.39 -148.6 29.51 Favored Glycine 0 C--N 1.356 1.685 0 O-C-N 124.492 1.12 . . . . 99.99 114.555 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -168.77 76.69 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.479 1.512 . . . . 99.99 107.225 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.31 83.91 2.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 CA-C-N 114.915 -1.039 . . . . 99.99 108.48 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -172.05 83.6 0.07 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.822 -1.081 . . . . 99.99 109.001 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' E' ' 303' ' ' LYS . 0.1 OUTLIER 178.44 157.5 0.59 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 124.439 1.095 . . . . 99.99 110.383 177.294 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.472 ' HD3' ' HG2' ' E' ' 1' ' ' MET . 4.2 Cg_exo -75.15 -175.79 2.57 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 123.059 2.506 . . . . 99.99 112.804 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.54 -162.69 1.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.209 -0.905 . . . . 99.99 109.857 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.48 163.44 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.585 0.754 . . . . 99.99 112.78 -168.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 307' ' ' THR . . . . . 0.518 HG21 ' HB3' ' B' ' 134' ' ' ASP . 5.9 t -120.44 124.77 46.28 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.178 -0.919 . . . . 99.99 108.594 169.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 89.2 m -149.38 138.29 21.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.444 0.697 . . . . 99.99 109.178 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 3.4 t -134.73 74.97 63.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.095 0.958 . . . . 99.99 108.477 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.91 176.36 10.22 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.133 2.555 . . . . 99.99 113.188 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.409 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 20.2 t-20 -179.28 -50.36 0.0 OUTLIER Pre-proline 0 CA--C 1.565 1.537 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.762 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 68.3 Cg_endo -69.48 102.39 0.98 Allowed 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 122.363 2.042 . . . . 99.99 111.978 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 313' ' ' GLN . . . . . 0.479 HE22 ' HA ' ' E' ' 123' ' ' ASP . 14.1 tm0? -148.51 143.57 26.76 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.61 -1.177 . . . . 99.99 107.935 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.446 ' HA ' ' OG ' ' E' ' 317' ' ' SER . 2.1 tmm_? 62.79 67.43 0.7 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.598 1.159 . . . . 99.99 108.413 -176.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.98 66.46 8.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 107.365 -1.346 . . . . 99.99 107.365 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 62.23 15.51 7.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 114.166 -1.379 . . . . 99.99 112.467 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 317' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' E' ' 314' ' ' ARG . 72.8 p -76.89 105.12 7.77 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 121.318 0.58 . . . . 99.99 110.02 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 98.6 t -110.96 141.06 23.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.804 1.242 . . . . 99.99 108.959 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 319' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' E' ' 118' ' ' PRO . 8.3 Cg_endo -49.86 117.69 3.24 Favored 'Trans proline' 0 C--N 1.392 2.841 0 C-N-CA 123.229 2.619 . . . . 99.99 111.519 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.7 m -75.78 -33.59 60.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.445 1.098 . . . . 99.99 111.931 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' D' ' 39' ' ' GLU . 40.0 mt 61.1 81.59 0.19 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.845 1.258 . . . . 99.99 109.668 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -67.74 -5.93 18.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -78.25 -38.3 43.18 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.554 0.742 . . . . 99.99 110.332 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' E' ' 321' ' ' LEU . 4.3 ppp? -61.27 -29.73 70.03 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.854 0.461 . . . . 99.99 111.54 -171.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.0 p -70.98 113.8 8.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.47 0.708 . . . . 99.99 109.653 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -65.95 123.37 19.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.636 0.774 . . . . 99.99 110.01 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -144.04 -177.73 5.59 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.049 0.939 . . . . 99.99 110.38 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' E' ' 331' ' ' LEU . . . -58.84 -13.26 5.76 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.044 1.338 . . . . 99.99 112.844 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 31.4 pt -55.57 -41.21 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.354 1.062 . . . . 99.99 111.879 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.63 -35.89 16.58 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.534 0.734 . . . . 99.99 109.932 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.596 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 3.9 mm? -73.7 4.29 5.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.061 -0.972 . . . . 99.99 111.891 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.0 -57.89 5.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.259 -1.015 . . . . 99.99 108.259 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 25.2 p -77.74 97.11 5.07 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.059 -0.973 . . . . 99.99 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -121.14 -58.26 1.81 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.05 0.94 . . . . 99.99 109.834 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -70.65 167.51 18.47 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.383 -0.826 . . . . 99.99 110.679 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.54 90.03 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.329 0.651 . . . . 99.99 109.875 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 72.0 133.47 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.459 1.504 . . . . 99.99 110.172 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.64 37.53 2.08 Favored Glycine 0 N--CA 1.477 1.413 0 N-CA-C 113.743 0.257 . . . . 99.99 113.743 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.85 -177.99 4.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.284 1.434 . . . . 99.99 108.023 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -85.43 30.54 0.62 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.219 1.008 . . . . 99.99 112.21 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 73.95 -54.27 0.68 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 126.198 1.799 . . . . 99.99 110.226 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? 76.06 101.46 0.07 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.966 1.707 . . . . 99.99 108.949 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.95 110.95 34.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 344' ' ' GLU . . . . . 0.501 ' HG3' ' CE1' ' E' ' 434' ' ' HIS . 30.4 tt0 -74.47 113.37 11.62 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.435 0.459 . . . . 99.99 110.752 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -90.77 89.48 1.5 Allowed Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.539 -0.755 . . . . 99.99 111.244 173.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -89.63 -18.51 26.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.85 0.86 . . . . 99.99 111.686 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 20.6 t -81.84 17.3 1.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.976 0.91 . . . . 99.99 111.351 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 7.2 tp -68.69 132.96 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 124.061 0.945 . . . . 99.99 110.96 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.84 158.54 32.01 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.236 1.014 . . . . 99.99 109.941 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 83.13 -0.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.009 1.324 . . . . 99.99 112.273 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.55 93.86 3.08 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 106.74 -1.578 . . . . 99.99 106.74 169.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -115.94 130.57 56.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.755 . . . . 99.99 110.161 -174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.38 -23.54 14.73 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.365 0.666 . . . . 99.99 110.723 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -73.3 128.03 34.34 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.428 0.691 . . . . 99.99 111.17 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -166.5 -175.74 3.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.004 0.922 . . . . 99.99 110.333 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 356' ' ' ASN . . . . . 0.643 ' H ' ' HD2' ' E' ' 357' ' ' PRO . 47.8 t-20 -130.68 -49.23 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 124.342 1.057 . . . . 99.99 109.209 174.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.643 ' HD2' ' H ' ' E' ' 356' ' ' ASN . 61.0 Cg_endo -72.03 91.65 0.73 Allowed 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 121.48 1.453 . . . . 99.99 112.056 170.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 358' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' E' ' 162' ' ' GLY . 20.5 t -141.91 -48.09 0.37 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.303 1.041 . . . . 99.99 108.5 173.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -86.69 52.72 4.48 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 115.496 -0.774 . . . . 99.99 111.307 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 360' ' ' GLN . . . . . 0.492 ' HG2' HG13 ' E' ' 361' ' ' ILE . 26.7 tt0 -87.22 135.16 33.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 99.99 110.143 -173.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.492 HG13 ' HG2' ' E' ' 360' ' ' GLN . 28.8 mt 61.69 73.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.102 1.361 . . . . 99.99 110.16 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -66.97 -55.14 17.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.979 -1.009 . . . . 99.99 111.835 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 363' ' ' GLU . . . . . 0.486 ' HG2' HG22 ' E' ' 364' ' ' THR . 0.0 OUTLIER -134.8 -34.7 0.89 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.835 0.854 . . . . 99.99 109.649 175.278 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 364' ' ' THR . . . . . 0.486 HG22 ' HG2' ' E' ' 363' ' ' GLU . 13.1 t -163.54 160.68 23.4 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.223 0.609 . . . . 99.99 110.863 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 365' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' E' ' 369' ' ' GLU . 78.5 t -135.82 138.5 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.067 1.347 . . . . 99.99 107.898 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -113.2 173.94 6.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.672 0.789 . . . . 99.99 109.008 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -54.54 -32.61 58.57 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.733 0.813 . . . . 99.99 113.154 -168.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.23 -42.15 69.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.87 0.868 . . . . 99.99 110.928 -175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' E' ' 365' ' ' VAL . 10.4 tp10 -82.03 -22.27 36.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.227 0.611 . . . . 99.99 111.264 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.98 -14.45 6.45 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.532 1.133 . . . . 99.99 113.517 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 28.0 m -54.62 -21.08 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 C-N-CA 124.606 1.162 . . . . 99.99 113.284 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.13 -17.54 7.48 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.49 1.116 . . . . 99.99 113.302 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.57 -21.37 17.0 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.025 0.93 . . . . 99.99 113.488 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.45 -20.21 29.13 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.117 0.967 . . . . 99.99 113.432 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.82 -17.99 62.12 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.533 0.733 . . . . 99.99 112.317 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -58.05 -31.4 66.99 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.897 1.279 . . . . 99.99 111.474 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -63.13 -36.19 82.77 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.797 0.439 . . . . 99.99 110.756 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.52 59.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.826 0.851 . . . . 99.99 111.888 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 379' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' E' ' 379' ' ' LYS . 11.2 mmpt? -87.36 -3.22 59.02 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.124 0.569 . . . . 99.99 112.265 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -79.15 -173.62 3.7 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.262 0.625 . . . . 99.99 109.952 173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 74.5 -52.59 0.68 Allowed 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 125.278 1.431 . . . . 99.99 111.986 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -85.03 42.56 3.16 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 171.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -83.11 116.85 22.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.901 1.28 . . . . 99.99 110.334 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 12.9 t 40.56 58.98 2.23 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.093 1.757 . . . . 99.99 112.292 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.66 157.2 30.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 114.31 -1.314 . . . . 99.99 111.665 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.55 132.04 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.57 0.748 . . . . 99.99 110.459 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 9.3 tp -85.0 146.48 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 123.51 0.724 . . . . 99.99 110.14 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.1 124.85 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.428 1.091 . . . . 99.99 110.622 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 389' ' ' THR . . . . . 0.541 ' HB ' ' HG3' ' C' ' 1' ' ' MET . 63.7 m -142.8 137.39 29.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.083 0.953 . . . . 99.99 108.552 174.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.85 126.85 29.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.341 0.656 . . . . 99.99 110.079 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.24 158.31 31.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.829 0.852 . . . . 99.99 109.73 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 68.66 -179.17 0.22 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.089 1.356 . . . . 99.99 111.016 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -115.54 159.1 21.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.421 0.689 . . . . 99.99 110.477 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -72.39 -17.8 61.78 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.842 0.857 . . . . 99.99 110.663 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -50.7 111.56 0.56 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.651 1.18 . . . . 99.99 111.928 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 29.4 p -145.63 -170.03 3.36 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.482 1.113 . . . . 99.99 109.192 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.24 115.49 5.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.32 0.581 . . . . 99.99 109.894 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.2 mm -85.36 -60.55 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.903 0.881 . . . . 99.99 109.06 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.74 125.49 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-N 114.998 -1.001 . . . . 99.99 109.423 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.435 ' H ' ' HD2' ' E' ' 401' ' ' PRO . . . -165.42 -45.44 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.189 0.996 . . . . 99.99 111.055 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.435 ' HD2' ' H ' ' E' ' 400' ' ' ALA . 83.7 Cg_endo -80.95 136.76 10.61 Favored 'Trans proline' 0 C--N 1.391 2.785 0 C-N-CA 121.311 1.341 . . . . 99.99 112.213 169.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.13 30.61 18.59 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.962 1.305 . . . . 99.99 112.46 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 5.4 t -85.19 80.46 9.2 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.685 0.794 . . . . 99.99 111.002 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -156.33 -41.42 0.08 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.96 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.95 28.83 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 123.17 0.588 . . . . 99.99 111.074 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.99 174.84 11.07 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.952 2.435 . . . . 99.99 112.56 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 154.52 -158.03 27.96 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.749 -0.66 . . . . 99.99 111.901 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 408' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' E' ' 27' ' ' PRO . 63.3 tp -151.42 107.3 3.39 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 176.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 11.0 t -147.14 178.94 7.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.118 0.485 . . . . 99.99 110.382 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.25 129.87 34.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.478 1.111 . . . . 99.99 108.359 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -94.05 -83.82 0.33 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 122.935 0.494 . . . . 99.99 110.446 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 49.4 tp 41.68 -83.1 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.787 2.035 . . . . 99.99 113.682 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.61 -13.11 4.99 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.81 1.244 . . . . 99.99 112.036 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.1 m -74.66 77.5 2.03 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.054 0.942 . . . . 99.99 109.507 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 67.6 29.41 7.1 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 124.894 1.278 . . . . 99.99 113.757 165.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.07 -34.93 79.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.816 . . . . 99.99 110.724 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 101.57 -43.91 1.63 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.184 -0.916 . . . . 99.99 112.068 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.41 -79.25 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.097 1.359 . . . . 99.99 111.459 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 48.1 t 64.18 123.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 125.945 1.698 . . . . 99.99 112.766 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 53.8 ttp -138.33 141.7 39.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.15 -6.53 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.985 0.914 . . . . 99.99 113.231 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 47.0 ttp -58.42 -38.47 77.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.251 0.62 . . . . 99.99 110.741 174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 41.4 p -78.13 128.42 33.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.66 91.87 0.2 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.909 0.884 . . . . 99.99 111.387 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -86.31 77.77 1.99 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.466 -0.788 . . . . 99.99 111.586 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 67.53 83.0 0.17 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.91 1.284 . . . . 99.99 110.913 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 24.2 m -80.33 -49.12 11.95 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.53 -0.759 . . . . 99.99 109.814 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 73.63 -59.3 0.57 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.86 1.664 . . . . 99.99 113.489 171.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.26 -19.25 32.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.887 1.275 . . . . 99.99 114.362 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.05 -24.88 42.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.53 0.732 . . . . 99.99 112.099 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -72.65 -58.1 3.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.672 0.789 . . . . 99.99 110.423 171.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -83.27 -70.02 0.59 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.808 0.67 . . . . 99.99 112.808 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.7 -21.58 1.49 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.848 0.685 . . . . 99.99 112.848 -166.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 434' ' ' HIS . . . . . 0.501 ' CE1' ' HG3' ' E' ' 344' ' ' GLU . 31.1 m-70 73.78 21.57 2.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 124.771 1.229 . . . . 99.99 110.288 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' E' ' 149' ' ' LYS . 60.3 p 56.98 29.53 16.55 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.665 1.586 . . . . 99.99 111.785 -170.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -87.28 44.35 3.28 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.613 -0.721 . . . . 99.99 112.917 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 7.0 m -69.08 -43.68 74.06 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.926 0.89 . . . . 99.99 110.205 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -81.35 -77.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.853 -1.067 . . . . 99.99 110.338 -170.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.407 HD21 ' HB1' ' E' ' 160' ' ' ALA . 33.6 tp 69.48 -64.96 0.32 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.415 1.486 . . . . 99.99 111.786 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.476 ' HA ' ' HA2' ' E' ' 162' ' ' GLY . 51.0 mtm180 -52.15 -53.8 38.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.914 1.686 . . . . 99.99 113.453 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 441' ' ' ILE . . . . . 0.476 HG21 HG13 ' E' ' 146' ' ' ILE . 32.4 mt -101.69 70.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -168.2 69.49 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.441 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -173.6 -52.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.809 1.244 . . . . 99.99 108.33 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -113.38 155.34 25.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.651 -1.159 . . . . 99.99 108.442 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 175.67 173.07 41.07 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.502 0.501 . . . . 99.99 112.533 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -86.17 149.79 9.32 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.054 2.503 . . . . 99.99 112.909 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -74.38 -44.95 49.89 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 448' ' ' ALA . . . . . 0.712 ' HB3' ' HB ' ' E' ' 144' ' ' VAL . . . 58.18 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.198 1.799 . . . . 99.99 112.976 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 68.78 100.72 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.157 1.383 . . . . 99.99 109.943 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -58.76 -46.49 87.35 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.586 0.754 . . . . 99.99 112.22 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.59 ' HB ' ' HG2' ' A' ' 9' ' ' MET . 79.5 t 48.06 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.65 1.58 . . . . 99.99 112.101 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.809 HG13 ' HB2' ' A' ' 97' ' ' CYS . 48.3 t 72.24 8.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.579 2.058 0 C-N-CA 123.683 0.793 . . . . 99.99 111.842 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -66.31 -63.82 3.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 121.696 -0.628 . . . . 99.99 112.905 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 100' ' ' ALA . 7.0 mp 55.32 84.48 0.07 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.168 1.387 . . . . 99.99 112.613 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 66.2 p -121.17 -46.61 2.3 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 62.44 -152.94 0.35 Allowed 'General case' 0 C--N 1.363 1.162 0 CA-C-N 114.14 -1.391 . . . . 99.99 111.052 168.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 457' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' E' ' 461' ' ' PHE . 20.6 mp0 -78.87 -8.33 58.73 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.066 0.546 . . . . 99.99 110.152 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 143' ' ' GLN . 93.7 m 75.57 -70.25 0.15 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.354 1.462 . . . . 99.99 112.197 175.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.22 163.6 27.66 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.172 0.989 . . . . 99.99 110.819 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 68.1 tp -60.97 96.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.271 0.629 . . . . 99.99 109.684 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 135' ' ' ALA . 1.0 OUTLIER -74.24 -63.75 1.16 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.718 1.207 . . . . 99.99 110.259 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.437 ' HA ' ' HE1' ' A' ' 133' ' ' PHE . 3.6 t80 44.45 -105.5 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 126.004 1.722 . . . . 99.99 112.227 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 25.7 m 35.92 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.776 2.03 . . . . 99.99 115.459 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 41.7 ttp -138.78 146.71 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.51 ' HA ' ' HE2' ' E' ' 465' ' ' LYS . 11.2 mmpt? -61.51 -52.89 62.6 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.467 0.707 . . . . 99.99 111.306 -175.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 58.51 90.18 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.803 1.315 . . . . 99.99 112.345 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -142.97 126.0 16.3 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.244 0.617 . . . . 99.99 110.18 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 40' ' ' VAL . 97.5 mt -108.73 129.86 55.36 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.374 1.069 . . . . 99.99 110.171 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.02 -27.25 53.64 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.351 0.407 . . . . 99.99 112.213 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.412 ' O ' ' HD3' ' A' ' 124' ' ' PRO . 75.3 mt 64.0 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.658 1.583 . . . . 99.99 111.664 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.65 ' HZ2' ' HB3' ' E' ' 471' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.206 0 C-N-CA 123.22 0.608 . . . . 99.99 111.693 -175.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 109.86 -0.422 . . . . 99.99 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -74.99 -26.07 59.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.131 0.572 . . . . 99.99 110.552 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -111.03 119.74 40.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 99.99 110.315 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -131.56 -11.25 3.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.32 1.048 . . . . 99.99 111.486 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.41 -33.32 10.04 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.584 0.753 . . . . 99.99 112.575 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -54.92 -44.15 73.96 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.643 0.777 . . . . 99.99 112.637 -170.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m 61.22 -74.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.561 1.545 . . . . 99.99 111.28 -175.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.82 21.47 11.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.315 1.446 . . . . 99.99 111.769 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.4 157.9 43.94 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.515 0.726 . . . . 99.99 109.826 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -140.5 150.62 43.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.216 -1.401 . . . . 99.99 107.216 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 86' ' ' ILE . 1.2 t80 -130.48 127.77 39.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.609 0.641 . . . . 99.99 111.826 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -142.5 118.24 10.47 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.63 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 87.02 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 27.8 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 83' ' ' ILE . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 12.57 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 37.56 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 5.43 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 6.92 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HB2' ' HE3' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 5.61 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 12.68 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 32.78 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.486 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 57.34 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 48.36 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 97.85 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 133' ' ' PHE . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.496 ' HB ' ' HB3' ' E' ' 460' ' ' LEU . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 43.33 109.641 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 41.53 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' HD11 ' E' ' 454' ' ' LEU . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 88.8 109.691 172.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 73.87 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.5 ' HB2' HD12 ' E' ' 454' ' ' LEU . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.04 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 98' ' ' LEU . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 54.22 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 29.36 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 19.86 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 13.6 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 17.22 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 14.92 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 21.43 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 23.61 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 57.75 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 93.1 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 30.12 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 22.88 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 30.01 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 14.44 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 9.47 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 20.02 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' HE1' ' A' ' 17' ' ' TYR . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 66.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t -119.55 95.6 4.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.762 HG13 ' HA ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -147.65 167.26 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.357 0 N-CA-C 115.611 1.708 . . . . 99.99 115.611 -170.301 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.47 ' H ' HD12 ' A' ' 86' ' ' ILE . . . -143.28 144.68 32.22 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.21 1.804 . . . . 99.99 109.877 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 2.68 31.4 Favored Glycine 0 C--N 1.35 1.333 0 C-N-CA 123.488 0.566 . . . . 99.99 113.352 175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.558 HD13 HG23 ' A' ' 86' ' ' ILE . 2.0 mp -111.57 134.46 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.418 0.687 . . . . 99.99 109.502 -170.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -168.42 174.9 6.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.809 1.244 . . . . 99.99 109.258 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.87 43.66 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.405 0.441 . . . . 99.99 113.114 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -78.2 -15.67 58.59 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.462 0.705 . . . . 99.99 111.352 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.16 -37.95 69.27 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.075 -0.713 . . . . 99.99 109.075 173.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 4.4 tpt -70.23 -49.0 54.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.55 68.18 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.907 0.883 . . . . 99.99 111.367 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.26 -46.14 57.15 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 123.095 0.558 . . . . 99.99 109.676 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 34.2 t -65.5 -64.37 0.88 Allowed 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.479 0.487 . . . . 99.99 110.667 -173.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.6 pp -74.08 -13.99 60.92 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 95.56 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.556 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 94.48 113.255 -167.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 73.2 111.483 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD3' HG11 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 48.9 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 94.19 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.658 ' HA ' ' HB2' ' E' ' 139' ' ' ASN . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 55.88 110.952 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 21.71 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.469 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 15.39 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 9.95 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 20.66 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 7.34 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 15.45 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 4.41 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 7.34 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.567 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 7.28 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 4.96 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 48.88 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 26.6 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 17.97 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 8.38 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 20.1 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 13.71 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.486 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 20.05 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' HG11 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 56.76 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.563 ' HB3' HG13 ' E' ' 135' ' ' VAL . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 62.97 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 56.46 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 77.42 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t -130.62 113.38 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.61 96.44 7.11 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.724 0.809 . . . . 99.99 109.305 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.612 ' HE2' HD11 ' A' ' 44' ' ' LEU . 52.8 m-85 -65.0 -45.8 84.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.096 0.95 . . . . 99.99 109.569 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.19 -37.68 86.21 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 113.278 -1.783 . . . . 99.99 112.007 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.41 78.3 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.23 0.331 . . . . 99.99 111.689 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.54 -40.5 94.9 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.334 0.396 . . . . 99.99 110.66 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -66.48 -40.48 89.34 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.372 -0.831 . . . . 99.99 110.845 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.451 ' SD ' HD23 ' A' ' 141' ' ' LEU . 22.2 mmt -77.58 -22.76 50.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.613 0.765 . . . . 99.99 112.097 -175.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.55 -30.3 68.53 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.418 0.449 . . . . 99.99 110.333 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -95.74 -46.83 6.43 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.717 0.807 . . . . 99.99 110.986 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 138' ' ' MET . 23.1 tp -67.46 -12.29 59.94 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.203 1.001 . . . . 99.99 112.326 -170.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -142.79 -12.91 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.8 0.44 . . . . 99.99 110.599 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? 72.85 166.94 0.31 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.583 1.153 . . . . 99.99 109.767 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -53.96 108.09 0.33 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.663 0.785 . . . . 99.99 111.374 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.02 179.56 7.77 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.952 0.901 . . . . 99.99 111.529 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -58.77 128.67 48.21 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.935 0.772 . . . . 99.99 111.896 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.72 -20.85 61.85 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.045 0.938 . . . . 99.99 112.148 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 120.77 147.81 7.87 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 110.665 -0.974 . . . . 99.99 110.665 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.0 m -76.88 -51.43 11.27 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 117.435 0.617 . . . . 99.99 109.961 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.4 -26.68 9.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.553 -1.203 . . . . 99.99 109.99 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.35 -74.04 0.18 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.036 0.934 . . . . 99.99 110.166 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 61.76 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.034 1.334 . . . . 99.99 110.299 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -134.94 -59.23 0.8 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.425 -1.324 . . . . 99.99 107.425 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -157.75 161.4 38.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 113.85 -1.523 . . . . 99.99 108.682 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.797 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 65.84 101.55 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.618 1.199 . . . . 99.99 112.702 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.23 26.08 8.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.338 0.655 . . . . 99.99 111.227 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 81.52 1.13 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.883 -0.784 . . . . 99.99 108.883 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 60.9 -73.31 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.482 1.513 . . . . 99.99 112.707 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA3' ' E' ' 229' ' ' GLY . 48.4 t30 79.12 -58.26 0.41 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 126.007 1.723 . . . . 99.99 112.173 172.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -82.27 44.95 0.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.663 1.185 . . . . 99.99 111.232 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.31 119.04 15.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.639 0.776 . . . . 99.99 111.673 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' B' ' 87' ' ' ALA . 17.0 ttt 66.71 168.65 0.23 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.184 1.794 . . . . 99.99 113.016 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 146.32 48.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.363 1.465 . . . . 99.99 107.621 168.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.461 ' HD2' ' HG ' ' E' ' 70' ' ' LEU . 50.9 t80 -137.64 132.69 33.36 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 93.55 108.11 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.701 ' HA ' HD11 ' E' ' 70' ' ' LEU . 6.4 tp60 -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 40.88 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 85.25 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 95.33 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 13.6 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 23.1 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.485 HG21 HD11 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 6.51 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 19.94 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 113' ' ' CYS . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 5.14 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 19.25 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 9.84 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 18.09 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 49.39 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.869 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.616 ' HB3' HD13 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 98.87 110.254 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.66 ' HB3' ' HE2' ' E' ' 149' ' ' LYS . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 72.1 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' E' ' 7' ' ' ALA . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 96.73 110.688 -172.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.512 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 67.27 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.768 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 66.97 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 35.64 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 74.75 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 43.74 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 89.61 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 85.91 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 76.71 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 98.07 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.714 ' HB2' HD11 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.431 ' HB ' ' HE1' ' E' ' 15' ' ' PHE . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 57.34 109.237 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 21.57 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 62.33 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.768 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 95.32 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 14.84 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 28.15 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 18.14 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 24.35 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 26.44 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 56.64 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 62.67 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 81.37 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 33.32 111.755 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 25.99 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.463 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 18.76 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 16.93 106.748 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 12.76 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' B' ' 113' ' ' CYS . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 8.91 108.924 176.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 33.15 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 11.78 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 39.34 108.336 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 63.88 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 82.93 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 98.2 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' B' ' 9' ' ' MET . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' E' ' 19' ' ' THR . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' E' ' 28' ' ' VAL . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 71.23 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 59.87 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 71.19 112.042 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 50.37 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 36.29 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 87.59 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 37.19 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 13.07 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 10.37 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 12.29 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 8.75 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 59.14 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 13.3 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 9.86 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 13.13 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.02 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 26.78 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 114' ' ' ILE . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 13.3 110.138 175.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 29.79 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.447 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 23.15 112.503 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 23.84 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 29.89 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.524 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 72.13 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 73.04 107.97 168.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 90.81 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 43.15 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 61.27 111.508 173.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.445 ' HA ' ' OG1' ' E' ' 81' ' ' THR . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.57 109.766 172.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 56.3 t-20 -83.55 69.53 10.1 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' E' ' 11' ' ' LEU . 15.7 t80 -58.61 -38.45 78.02 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 114.393 1.257 . . . . 99.99 114.393 -159.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.634 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 14.3 t70 -75.51 -57.19 4.04 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.805 0.442 . . . . 99.99 111.167 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.84 63.16 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.68 0.792 . . . . 99.99 111.788 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.628 HD12 HD12 ' E' ' 80' ' ' ILE . 28.3 tp -51.57 -34.67 37.89 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.738 1.615 . . . . 99.99 111.648 174.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.97 -31.27 61.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.665 0.786 . . . . 99.99 111.659 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -37.45 49.41 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.183 0.516 . . . . 99.99 110.201 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.93 2.2 54.22 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.689 1.196 . . . . 99.99 110.69 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -59.1 -15.83 16.15 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.195 1.798 . . . . 99.99 111.705 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' E' ' 172' ' ' GLU . 13.4 mt -97.95 -7.72 29.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.973 . . . . 99.99 111.47 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -109.19 95.49 5.67 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.366 0.666 . . . . 99.99 110.66 -173.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.86 160.72 34.83 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.904 0.882 . . . . 99.99 108.76 169.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -108.66 156.16 19.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.431 0.692 . . . . 99.99 110.327 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.74 -84.17 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.244 1.417 . . . . 99.99 111.573 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.51 -118.03 5.91 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 119.255 -0.747 . . . . 99.99 112.427 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.71 -155.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.771 1.228 . . . . 99.99 110.843 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 165.45 -85.67 0.1 Allowed Glycine 0 C--N 1.351 1.364 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 176.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 80.2 m -143.54 137.0 28.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.344 1.058 . . . . 99.99 108.166 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.568 ' HG3' ' HG2' ' B' ' 151' ' ' GLU . 13.4 tp10 71.05 153.18 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.944 1.298 . . . . 99.99 111.236 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.568 ' HG2' ' HG3' ' B' ' 150' ' ' GLU . 24.5 mm-40 60.36 88.36 0.08 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.626 1.17 . . . . 99.99 111.674 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 58.3 69.87 0.7 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.658 1.183 . . . . 99.99 110.685 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.17 -135.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 107.109 -1.441 . . . . 99.99 107.109 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 70.28 122.53 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.166 1.386 . . . . 99.99 111.598 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.812 0.845 . . . . 99.99 110.913 -176.274 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.4 0.148 . . . . 99.99 111.4 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -143.64 -9.54 0.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.87 0.468 . . . . 99.99 112.218 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.82 58.5 0.62 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.813 0.816 . . . . 99.99 109.417 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 58.92 57.1 3.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.575 1.15 . . . . 99.99 112.232 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -159.68 107.1 1.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.168 -0.924 . . . . 99.99 110.035 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -97.61 -1.94 42.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.023 1.329 . . . . 99.99 110.766 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p 61.27 -68.44 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.995 2.118 . . . . 99.99 113.028 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.35 85.35 1.46 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.596 0.759 . . . . 99.99 109.781 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.606 ' HG2' ' HA2' ' C' ' 88' ' ' GLY . 55.2 mtm 59.21 112.67 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.47 1.508 . . . . 99.99 112.592 -175.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m -130.22 119.46 22.95 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.458 1.103 . . . . 99.99 109.296 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 -126.64 127.22 44.85 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.164 0.438 . . . . 99.99 109.939 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.61 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' E' ' 136' ' ' LYS . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 56.3 108.352 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.701 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 93.16 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 11.74 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 6.91 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 21.95 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 5.12 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.629 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 9.28 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 8.82 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 12.04 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 30.41 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.63 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 48.75 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 55.24 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 88.6 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.504 ' CH2' ' HB ' ' E' ' 301' ' ' ILE . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.583 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 68.93 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 87.15 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 94.05 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.499 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 71.87 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' THR . . . . . 0.487 HG22 ' HD1' ' E' ' 281' ' ' PHE . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 62.96 111.092 -170.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 35.73 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 56.22 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 43.42 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.449 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.548 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 94.06 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 81.86 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 29.6 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 20.9 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 69.19 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.744 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 14.53 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.499 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.42 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 17.7 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 29.53 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 32.22 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 59.66 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.621 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 97.29 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 76.35 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 37.0 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 34.06 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 39.96 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 16.54 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 9.25 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 25.23 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 10.6 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.51 HD12 HD11 ' C' ' 51' ' ' LEU . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 30.38 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt -134.76 99.55 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.34 -60.31 1.75 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.87 -0.605 . . . . 99.99 109.507 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.606 ' HA2' ' HG2' ' C' ' 9' ' ' MET . . . 56.59 -101.25 0.14 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 -168.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 6.3 tp -170.08 61.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 125.007 1.323 . . . . 99.99 108.808 166.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.562 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 42.7 mt-10 60.63 -179.91 0.1 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 114.056 -1.429 . . . . 99.99 114.573 170.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.06 -119.16 13.1 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 114.147 -1.388 . . . . 99.99 114.23 168.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -68.29 -39.31 82.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.189 0.996 . . . . 99.99 111.017 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.75 -35.7 78.87 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.198 0.599 . . . . 99.99 111.154 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.648 ' SD ' ' HB3' ' E' ' 278' ' ' LEU . 55.9 mtt -75.11 -47.16 30.06 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.937 -0.574 . . . . 99.99 109.73 170.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.78 65.89 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.269 1.028 . . . . 99.99 113.716 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.414 ' HA ' ' CD1' ' C' ' 137' ' ' PHE . 76.2 m-70 -69.98 -47.75 60.97 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.377 0.671 . . . . 99.99 111.661 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -81.49 -37.92 27.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.082 0.553 . . . . 99.99 111.062 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.532 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 68.51 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.555 ' HB2' ' HB2' ' C' ' 137' ' ' PHE . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 56.52 111.978 -175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 56.59 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.562 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 39.21 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 8.71 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.562 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 37.06 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 16.74 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' C' ' 111' ' ' ARG . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 9.85 113.938 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.567 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 5.88 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.508 ' HA ' HG11 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 7.64 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 20.64 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 13.9 110.823 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 8.58 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 8.54 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 6.56 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' C' ' 23' ' ' PHE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 5.22 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 28.53 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 17.6 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 15.17 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 24.81 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 29.42 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.412 HD13 ' OG1' ' E' ' 296' ' ' THR . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 59.85 109.307 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 41.85 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.729 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 38.57 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 24.62 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 24.48 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 68.05 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -86.05 -32.03 21.64 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.496 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 4.3 p-10 -67.57 -52.25 40.86 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.258 -1.337 . . . . 99.99 113.38 -165.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -69.52 -23.85 63.66 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 118.387 -0.816 . . . . 99.99 112.992 -168.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.05 -47.5 80.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 123.756 0.66 . . . . 99.99 110.731 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 137' ' ' PHE . . . . . 0.555 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 78.5 m-85 -83.26 -40.82 19.09 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.376 -0.829 . . . . 99.99 111.368 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 138' ' ' MET . . . . . 0.459 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 13.0 tmm? -46.21 -29.47 1.59 Allowed 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 125.615 1.566 . . . . 99.99 113.798 -171.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -51.39 -34.6 35.16 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.322 1.049 . . . . 99.99 112.856 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 140' ' ' TYR . . . . . 0.416 ' HD1' ' O ' ' C' ' 137' ' ' PHE . 1.5 p90 -56.77 -78.71 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.087 0.955 . . . . 99.99 109.875 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.66 139.57 12.9 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.057 -1.46 . . . . 99.99 107.057 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.46 146.9 48.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.781 0.432 . . . . 99.99 110.609 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.39 -72.45 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 125.388 1.475 . . . . 99.99 112.361 167.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 79.46 112.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 125.783 1.633 . . . . 99.99 112.179 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.32 -97.59 0.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.405 1.482 . . . . 99.99 114.168 167.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 104.44 1.73 Allowed Glycine 0 C--N 1.358 1.786 0 N-CA-C 111.094 -0.803 . . . . 99.99 111.094 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -35.05 63.73 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.698 0.799 . . . . 99.99 112.241 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 157.95 -64.74 0.3 Allowed Glycine 0 C--N 1.352 1.428 0 N-CA-C 113.638 0.215 . . . . 99.99 113.638 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.1 t -98.24 -10.76 23.49 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.076 0.769 . . . . 99.99 113.076 -166.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -77.92 -27.09 49.36 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.483 0.583 . . . . 99.99 109.441 167.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.61 ' HG2' ' HB2' ' C' ' 12' ' ' GLN . 10.7 tp10 -75.08 143.9 43.18 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.589 -1.187 . . . . 99.99 108.011 164.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -62.78 -23.01 67.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.808 0.843 . . . . 99.99 110.869 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 153' ' ' GLN . . . . . 0.551 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 8.5 tt0 64.15 38.64 8.16 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.576 1.15 . . . . 99.99 111.18 164.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 66.44 16.66 10.48 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.761 -1.109 . . . . 99.99 113.063 176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.873 -0.788 . . . . 99.99 108.873 173.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.269 -0.271 . . . . 99.99 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -116.79 98.15 6.35 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.118 -1.068 . . . . 99.99 108.118 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 63.4 -170.89 0.18 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.927 1.291 . . . . 99.99 112.053 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 67.61 89.66 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.83 1.252 . . . . 99.99 111.807 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -105.75 -19.67 13.68 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.475 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.68 57.08 4.45 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.587 1.155 . . . . 99.99 111.256 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -79.14 -84.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 122.837 0.455 . . . . 99.99 110.387 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -150.13 -163.81 1.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.58 1.552 . . . . 99.99 108.295 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.436 ' HA ' ' HA3' ' D' ' 88' ' ' GLY . 0.0 OUTLIER -34.15 125.96 0.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.57 1.148 . . . . 99.99 112.667 171.158 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.414 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 98.0 m -119.21 140.48 50.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.521 1.128 . . . . 99.99 109.863 -174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 76.43 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.449 HD13 HG21 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 79.46 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 53.22 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 19.87 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' THR . . . . . 0.404 HG21 HD11 ' D' ' 21' ' ' ILE . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 8.43 109.986 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.63 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 36.9 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.453 HD13 ' HE3' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 4.02 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 7.64 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 5.08 104.426 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 7.19 109.219 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 13.41 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 12.01 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 20.55 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 22.26 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' D' ' 73' ' ' ALA . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 34.6 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 31.63 109.037 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 49.29 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 31.29 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 52.79 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 74.77 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.446 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 66.01 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' E' ' 111' ' ' LEU . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.564 ' H ' HD23 ' E' ' 111' ' ' LEU . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 77.52 109.897 173.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 38.8 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 48.36 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 52.73 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HA ' ' D' ' 52' ' ' ALA . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.71 110.261 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 82.32 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' D' ' 50' ' ' GLN . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 96.95 115.606 -154.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.401 ' HA ' HG23 ' E' ' 97' ' ' ILE . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 82.8 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 44.56 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.625 HG12 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 19.48 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 52.2 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 9.25 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 10.79 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 9.72 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 19.36 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 11.33 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 29.87 111.142 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 24.97 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 27.84 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 11.35 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.574 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 10.67 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 7.73 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 11.05 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 5.05 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 21.68 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.423 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.29 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.5 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 43.57 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 77.58 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.706 HG12 HD11 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 88.57 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.414 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 88' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' D' ' 9' ' ' MET . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.706 HD11 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 90' ' ' GLU . . . . . 0.589 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 88.9 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 95.17 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 66.02 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 54.11 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 40.76 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.536 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 34.31 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 28.69 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.44 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 61.29 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 19.65 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 80' ' ' GLN . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 13.09 111.696 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 10.47 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 6.22 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 10.48 111.384 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 110' ' ' ALA . . . . . 0.421 ' CB ' HG21 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 4.16 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 10.22 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.39 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.671 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 5.37 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 7.06 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 6.71 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 5.08 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 5.65 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 10.21 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 6.99 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 18.26 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 123' ' ' PHE . . . . . 0.451 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.57 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 20.06 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 16.85 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 14.84 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 76.73 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 20.32 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 28.37 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 32.68 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 69.78 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.446 ' HD1' HD13 ' D' ' 44' ' ' LEU . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -52.26 -38.53 58.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.14 65.7 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.895 0.878 . . . . 99.99 111.431 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.66 ' HB3' HD12 ' E' ' 111' ' ' LEU . 2.4 tt -72.39 -40.48 67.2 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' D' ' 141' ' ' LEU . 41.1 t80 -61.44 -38.64 87.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 99.99 111.183 -172.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 22.7 ptp -73.95 -38.86 64.09 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.313 0.645 . . . . 99.99 110.589 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -73.54 -29.6 62.55 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.773 0.829 . . . . 99.99 111.236 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -87.22 -34.44 18.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.394 0.678 . . . . 99.99 109.867 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 137' ' ' PHE . 6.7 tt -62.94 -43.59 98.37 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.395 0.678 . . . . 99.99 109.759 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -76.17 -1.03 24.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.507 0.323 . . . . 99.99 111.641 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -135.14 42.75 2.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.589 0.756 . . . . 99.99 109.627 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -178.06 128.14 0.13 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.936 0.894 . . . . 99.99 109.196 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -165.45 -57.04 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.426 0.69 . . . . 99.99 109.356 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.43 -25.99 22.97 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.857 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 64.8 -77.73 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.679 1.592 . . . . 99.99 110.975 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -125.12 5.5 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.583 -1.407 . . . . 99.99 109.583 170.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 2.6 m 59.74 26.69 15.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.295 1.038 . . . . 99.99 111.205 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.31 117.66 7.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.469 0.708 . . . . 99.99 110.459 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 70.6 96.51 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.703 1.601 . . . . 99.99 110.095 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.66 -54.64 0.78 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.432 1.093 . . . . 99.99 109.071 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 53.6 -75.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 125.872 1.669 . . . . 99.99 113.516 171.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.35 -42.12 88.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.79 1.236 . . . . 99.99 110.491 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.109 0 C-N-CA 123.984 0.914 . . . . 99.99 110.043 -179.428 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.894 -0.41 . . . . 99.99 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.739 ' HG3' ' HB1' ' E' ' 305' ' ' ALA . 13.1 mptt 66.61 160.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.143 0.977 . . . . 99.99 112.306 -172.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.636 ' HG3' ' HD3' ' E' ' 303' ' ' LYS . 17.8 mm-40 -114.52 40.4 2.57 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.941 0.896 . . . . 99.99 109.798 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -71.55 131.66 43.57 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.716 -1.129 . . . . 99.99 109.912 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.474 ' HA ' HD21 ' E' ' 85' ' ' ASN . 13.3 t -141.53 21.59 2.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.494 0.717 . . . . 99.99 110.199 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.12 152.03 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.177 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 42' ' ' LEU . . . -149.49 167.58 25.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.432 0.693 . . . . 99.99 111.458 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -115.84 -27.97 6.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.547 1.139 . . . . 99.99 108.218 166.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' E' ' 83' ' ' ALA . . . 85.89 170.55 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 126.383 1.873 . . . . 99.99 112.471 -177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' B' ' 136' ' ' LEU . 0.8 OUTLIER -112.22 42.95 1.69 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.933 1.293 . . . . 99.99 108.757 -171.327 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' E' ' 15' ' ' PHE . 16.3 tp 67.07 164.19 0.13 Allowed Pre-proline 0 CA--C 1.579 2.094 0 C-N-CA 123.102 0.561 . . . . 99.99 109.642 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 12' ' ' PRO . . . . . 0.449 ' HD2' ' HG ' ' E' ' 11' ' ' LEU . 90.8 Cg_endo -78.68 16.74 1.23 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 CA-C-N 121.26 1.486 . . . . 99.99 112.621 164.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.32 136.88 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.715 1.606 . . . . 99.99 111.222 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 68.22 105.7 0.05 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.907 1.283 . . . . 99.99 110.168 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' E' ' 11' ' ' LEU . 11.1 t80 -130.79 94.61 3.66 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.492 ' HA ' HD12 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -149.01 39.84 0.21 Allowed Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.927 0.891 . . . . 99.99 112.567 177.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -79.69 11.83 2.6 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.92 1.747 . . . . 99.99 113.805 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.437 HG21 HG12 ' B' ' 86' ' ' ILE . 3.3 t -63.64 -60.77 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.127 0.971 . . . . 99.99 111.351 176.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 19' ' ' THR . . . . . 0.54 HG21 ' HB3' ' B' ' 90' ' ' GLU . 36.2 p -82.26 -79.66 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.628 0.371 . . . . 99.99 111.598 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.63 14.33 0.36 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.08 0.552 . . . . 99.99 110.788 -175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.06 82.05 0.96 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 121.737 0.779 . . . . 99.99 109.818 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.65 -51.82 2.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 106.613 -1.625 . . . . 99.99 106.613 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -74.48 118.32 68.99 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 115.092 -0.958 . . . . 99.99 110.455 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -70.57 169.29 20.29 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 123.241 2.627 . . . . 99.99 112.336 172.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 80.97 -44.03 0.2 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.589 1.556 . . . . 99.99 112.2 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -54.45 120.74 28.33 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 123.86 0.864 . . . . 99.99 109.763 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.69 -40.88 69.13 Favored 'Trans proline' 0 C--N 1.387 2.57 0 C-N-CA 123.159 2.573 . . . . 99.99 112.309 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' B' ' 91' ' ' GLY . 9.5 p 47.62 26.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 126.442 1.897 . . . . 99.99 112.739 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.75 -53.65 8.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.253 -1.339 . . . . 99.99 108.13 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -81.09 -52.64 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.972 -1.013 . . . . 99.99 109.537 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 64.21 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.224 1.409 . . . . 99.99 111.894 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -154.06 4.13 0.27 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.194 0.998 . . . . 99.99 110.069 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.66 -77.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.32 0.648 . . . . 99.99 110.6 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 41.69 -92.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.765 1.626 . . . . 99.99 112.219 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -154.02 -6.51 0.16 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.997 0.519 . . . . 99.99 110.782 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.86 16.3 61.43 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 122.851 0.262 . . . . 99.99 113.142 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.09 155.5 30.53 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.182 0.593 . . . . 99.99 109.512 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.601 ' H ' HD13 ' E' ' 38' ' ' ILE . 0.2 OUTLIER -108.02 27.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.431 0.692 . . . . 99.99 111.411 -173.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -69.41 161.42 29.45 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.099 0.56 . . . . 99.99 110.834 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.81 81.45 0.21 Allowed Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.723 1.209 . . . . 99.99 110.43 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.12 -6.44 18.95 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 123.593 2.862 . . . . 99.99 114.458 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.95 83.39 0.06 OUTLIER Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.885 -0.486 . . . . 99.99 111.885 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.12 -132.41 3.27 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-O 118.696 -1.058 . . . . 99.99 110.618 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.603 1.561 . . . . 99.99 113.625 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -92.03 49.86 1.59 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.275 1.03 . . . . 99.99 111.435 -173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.67 25.36 13.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.335 1.054 . . . . 99.99 113.581 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.5 -83.28 0.05 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.662 -0.495 . . . . 99.99 109.662 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 20.2 m 50.88 67.38 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.642 1.177 . . . . 99.99 111.193 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.59 76.25 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 114.851 -1.068 . . . . 99.99 112.45 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.22 -55.95 28.16 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.845 1.658 . . . . 99.99 110.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 51' ' ' GLN . . . . . 0.452 HE21 HD11 ' E' ' 55' ' ' LEU . 17.1 tm0? -60.01 -47.59 85.23 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 114.416 -1.266 . . . . 99.99 110.871 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 24.1 m -65.65 -36.07 82.63 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.03 -0.986 . . . . 99.99 112.195 -173.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.96 -16.23 36.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.367 0.667 . . . . 99.99 111.959 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.83 -69.5 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.936 0.494 . . . . 99.99 111.991 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.452 HD11 HE21 ' E' ' 51' ' ' GLN . 1.3 pp -90.91 138.05 31.89 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.416 0.524 . . . . 99.99 112.416 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -179.5 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.938 1.295 . . . . 99.99 110.068 170.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -98.07 -81.25 0.44 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.801 -0.636 . . . . 99.99 112.362 -165.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -74.89 -14.09 60.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.523 0.729 . . . . 99.99 112.462 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 59' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' E' ' 55' ' ' LEU . 83.9 mt -90.25 48.96 1.62 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 175.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 58.4 p -77.54 -4.4 45.52 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.459 1.104 . . . . 99.99 111.455 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -78.71 67.51 4.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.499 -0.926 . . . . 99.99 108.499 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' HD2' ' E' ' 63' ' ' PRO . 63.8 mmtt -149.81 169.66 8.86 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 126.1 1.76 . . . . 99.99 108.638 -170.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' E' ' 62' ' ' LYS . 80.1 Cg_exo -7.16 75.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.412 3.893 1 C-N-CA 127.539 5.493 . . . . 99.99 117.155 -171.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 171.29 -50.39 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.092 2.157 . . . . 99.99 106.283 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -157.3 143.82 18.07 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.35 -1.75 . . . . 99.99 108.036 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -168.86 126.53 1.01 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.183 -0.673 . . . . 99.99 109.183 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 8.4 tt -79.16 111.89 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 109.268 -0.642 . . . . 99.99 109.268 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 68' ' ' ILE . . . . . 0.409 HG22 ' H ' ' E' ' 70' ' ' LEU . 1.9 mp -87.48 -80.03 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 107.563 -1.273 . . . . 99.99 107.563 172.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.22 31.59 19.48 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.245 1.018 . . . . 99.99 111.963 174.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' B' ' 12' ' ' GLN . 11.2 mp -82.96 47.22 1.19 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.294 -0.879 . . . . 99.99 111.546 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 37.0 mt -134.38 137.16 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 107.933 -1.136 . . . . 99.99 107.933 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.29 151.09 19.9 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.454 0.472 . . . . 99.99 112.024 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.85 149.83 34.28 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.377 0.671 . . . . 99.99 110.513 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.67 120.12 6.65 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.056 -0.52 . . . . 99.99 112.438 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 55.1 mtm -128.32 156.48 42.99 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.387 1.075 . . . . 99.99 109.627 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.99 114.41 0.56 Allowed Glycine 0 C--N 1.348 1.248 0 N-CA-C 111.386 -0.686 . . . . 99.99 111.386 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.29 140.18 43.21 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.571 0.748 . . . . 99.99 110.578 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.8 t -81.12 -51.98 7.87 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.291 -0.868 . . . . 99.99 111.531 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.46 -22.22 26.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.628 HD12 HD12 ' B' ' 136' ' ' LEU . 18.1 pt 51.14 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 126.424 1.89 . . . . 99.99 115.397 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' B' ' 131' ' ' VAL . 2.1 p -142.74 109.14 5.31 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.483 1.113 . . . . 99.99 110.496 -174.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 -165.2 1.21 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.368 1.067 . . . . 99.99 111.734 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' E' ' 9' ' ' ALA . . . -82.43 67.27 8.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.943 0.897 . . . . 99.99 111.204 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' E' ' 85' ' ' ASN . 9.3 tpp180 -171.96 -159.2 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.597 -0.89 . . . . 99.99 108.597 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 85' ' ' ASN . . . . . 0.519 ' H ' ' HG3' ' E' ' 84' ' ' ARG . 59.5 t30 -148.53 157.26 43.35 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.3 t80 73.76 155.7 0.17 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.759 1.224 . . . . 99.99 111.526 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.47 47.27 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.526 0.73 . . . . 99.99 109.676 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.66 -55.32 28.02 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.678 0.791 . . . . 99.99 111.128 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.2 0.43 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.663 -0.975 . . . . 99.99 110.663 -175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.51 -177.09 5.87 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.407 0.683 . . . . 99.99 110.254 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.48 82.71 1.55 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.896 -0.593 . . . . 99.99 113.56 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.13 -45.36 15.76 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 123.695 0.291 . . . . 99.99 113.123 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -141.99 144.34 33.63 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.219 1.008 . . . . 99.99 109.394 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -135.43 179.67 6.18 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.535 0.734 . . . . 99.99 111.301 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -130.83 111.52 12.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.518 1.127 . . . . 99.99 108.504 167.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.32 -51.07 0.04 OUTLIER Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.872 -0.491 . . . . 99.99 111.872 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.553 HG13 ' SD ' ' D' ' 94' ' ' MET . 0.8 OUTLIER -91.94 60.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-O 123.506 1.622 . . . . 99.99 107.059 172.322 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.65 -43.53 72.41 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.495 -1.684 . . . . 99.99 110.716 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.47 51.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.747 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.416 HD22 HG12 ' E' ' 97' ' ' ILE . 1.0 OUTLIER -150.29 111.33 3.24 Favored Pre-proline 0 C--O 1.237 0.446 0 N-CA-C 107.842 -1.169 . . . . 99.99 107.842 160.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.36 -20.48 70.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.482 2.122 . . . . 99.99 110.83 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 tt 73.62 -76.86 0.06 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 124.838 1.255 . . . . 99.99 109.072 167.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -149.03 139.24 22.26 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.116 1.366 . . . . 99.99 108.906 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.58 34.36 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.672 0.608 . . . . 99.99 112.456 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 58.15 33.55 23.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.264 1.426 . . . . 99.99 112.453 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 86.0 t80 63.85 81.71 0.2 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.377 1.071 . . . . 99.99 111.722 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m 57.85 89.22 0.05 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.704 1.602 . . . . 99.99 113.747 170.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -87.91 -7.94 56.47 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.704 -0.68 . . . . 99.99 111.392 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.82 73.53 10.29 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 108.485 -0.931 . . . . 99.99 108.485 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.04 119.72 23.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.763 -1.108 . . . . 99.99 109.89 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.774 ' HB2' ' HA ' ' D' ' 45' ' ' ASP . 2.3 mm? -74.51 -28.75 61.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.409 0.684 . . . . 99.99 109.61 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.58 88.97 0.51 Allowed 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -93.0 96.96 10.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.835 0.854 . . . . 99.99 108.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -69.67 -31.67 69.85 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.064 0.946 . . . . 99.99 111.317 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 25.6 p -71.38 90.49 0.96 Allowed 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.703 0.801 . . . . 99.99 109.989 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.61 -144.84 27.07 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-N 114.978 -1.01 . . . . 99.99 111.874 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 117' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' E' ' 118' ' ' PRO . 2.6 ttmp? -95.88 128.88 35.86 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.68 1.192 . . . . 99.99 109.228 -176.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' E' ' 117' ' ' LYS . 11.2 Cg_exo -71.27 75.91 1.81 Allowed 'Trans proline' 0 C--N 1.386 2.535 0 C-N-CA 123.709 2.94 . . . . 99.99 113.872 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 119' ' ' ASP . . . . . 0.604 ' HB3' ' HG ' ' D' ' 136' ' ' LEU . 37.6 t70 54.84 -94.73 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.504 1.522 . . . . 99.99 113.531 170.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.637 ' HB2' ' HB3' ' E' ' 334' ' ' LYS . 12.3 p90 -108.01 -4.59 17.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.126 0.57 . . . . 99.99 112.216 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.83 77.8 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 CA-C-O 121.61 0.719 . . . . 99.99 110.114 -168.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -130.18 -168.62 1.99 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.215 -1.357 . . . . 99.99 109.644 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 p30 49.75 -75.51 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 127.323 2.249 . . . . 99.99 113.993 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 11.4 m 60.43 40.62 17.04 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.336 1.055 . . . . 99.99 110.228 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.72 92.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.723 -1.126 . . . . 99.99 112.825 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.46 134.54 34.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.866 1.266 . . . . 96.83 108.11 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 70.3 p -124.5 150.81 45.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 122.806 0.442 . . . . 99.99 111.71 -173.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -171.99 -164.84 0.32 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.787 1.235 . . . . 74.48 109.246 174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.8 t -141.85 158.4 43.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.544 0.738 . . . . 99.99 109.741 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' D' ' 124' ' ' PRO . . . -99.26 171.17 8.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.983 0.513 . . . . 99.99 110.414 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.414 ' CD2' ' HA ' ' A' ' 124' ' ' PRO . 1.4 p90 -163.55 -176.48 4.71 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.893 0.877 . . . . 99.99 110.427 -170.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -176.13 141.56 0.45 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.178 0.991 . . . . 99.99 110.996 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 20.5 p -137.72 164.28 29.26 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.802 1.241 . . . . 99.99 109.472 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.6 151.65 18.6 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.213 0.321 . . . . 89.58 113.733 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 127' ' ' ASN . 12.4 m -122.86 -170.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.081 0.952 . . . . 99.99 109.238 174.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' C' ' 13' ' ' ILE . 26.2 tttm -168.61 178.61 4.65 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.012 0.82 . . . . 99.99 108.805 164.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 91.8 m 71.91 117.38 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.665 1.186 . . . . 99.99 112.786 173.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -95.82 157.19 16.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.606 1.163 . . . . 99.99 110.6 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 139' ' ' ASN . . . . . 0.658 ' HB2' ' HA ' ' A' ' 105' ' ' ILE . 2.6 p-10 -96.41 178.78 5.25 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.79 0.836 . . . . 99.99 111.803 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.05 100.01 1.33 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 110.395 -1.082 . . . . 99.99 110.395 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -85.56 151.78 23.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.442 0.697 . . . . 99.99 110.673 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -126.86 -70.68 0.71 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.07 0.548 . . . . 99.99 110.671 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 168.29 -164.84 38.34 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.729 -0.669 . . . . 99.99 111.825 -174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.85 156.98 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.254 0.622 . . . . 99.99 109.405 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.59 112.69 7.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 147.65 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.582 0.753 . . . . 99.99 110.653 -173.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -83.54 136.73 34.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -65.32 133.63 51.84 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.522 0.514 . . . . 99.99 110.926 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.66 ' HE2' ' HB3' ' B' ' 35' ' ' ASP . 29.8 mmmt -117.72 133.28 56.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.133 0.573 . . . . 99.99 112.338 -174.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -81.64 162.36 23.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.905 0.882 . . . . 99.99 109.796 171.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -92.16 104.63 11.28 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.673 1.189 . . . . 99.99 110.387 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.44 86.19 1.7 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.443 2.096 . . . . 99.99 111.384 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 38.4 p -92.52 -67.7 0.84 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.471 0.708 . . . . 99.99 109.996 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 11.0 tp -83.3 -6.58 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.315 0.646 . . . . 99.99 111.244 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.58 -43.72 89.58 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.576 0.75 . . . . 99.99 110.633 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -145.73 138.44 25.81 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.044 0.537 . . . . 99.99 110.291 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 57.4 ttp -145.01 106.74 4.26 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.52 81.09 6.86 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.71 0.766 . . . . 99.99 110.839 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -79.24 -22.62 44.54 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 114.728 -1.124 . . . . 99.99 110.37 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.7 53.58 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.988 1.315 . . . . 99.99 114.418 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -67.04 -24.41 65.99 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.36 0.664 . . . . 99.99 111.93 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.23 78.4 0.68 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.817 -0.513 . . . . 99.99 111.817 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.23 -16.09 62.48 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.398 1.079 . . . . 99.99 112.306 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 77.29 160.8 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.367 1.467 . . . . 99.99 113.66 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 m 72.41 138.3 0.05 Allowed 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 125.536 1.534 . . . . 99.99 112.043 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -112.63 -156.74 12.83 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.929 -0.578 . . . . 99.99 112.703 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.27 88.39 0.44 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.675 0.79 . . . . 99.99 109.492 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.38 10.11 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.83 0.852 . . . . 99.99 110.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 34.1 p -130.31 17.22 5.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.834 0.853 . . . . 99.99 110.746 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 48.6 p 51.36 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.43 1.892 . . . . 99.99 113.87 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -105.0 -47.38 4.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.918 0.887 . . . . 99.99 108.78 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 172' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' E' ' 319' ' ' PRO . 11.7 mm-40 68.64 177.62 0.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.452 1.501 . . . . 99.99 112.866 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 173' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' E' ' 319' ' ' PRO . 7.1 mp -76.37 140.01 41.22 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.918 0.487 . . . . 99.99 110.193 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.591 ' HA ' ' HB2' ' E' ' 317' ' ' SER . 15.0 pt20 -70.5 95.64 1.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.535 0.683 . . . . 99.99 109.486 172.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -144.49 -51.7 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.757 0.823 . . . . 99.99 109.367 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 64.58 -106.45 0.15 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.431 1.093 . . . . 99.99 109.302 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 85.7 m 63.6 141.94 0.06 OUTLIER Pre-proline 0 CA--C 1.569 1.706 0 C-N-CA 124.475 1.11 . . . . 99.99 112.479 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.26 -165.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.7 2.267 . . . . 99.99 113.394 170.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.28 67.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.406 0.683 . . . . 99.99 111.666 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 52.68 86.78 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.439 1.495 . . . . 99.99 112.728 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 119.3 30.24 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 173.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.27 136.65 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.255 0.622 . . . . 99.99 110.641 -167.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 54.13 -70.08 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.574 1.95 . . . . 99.99 114.796 168.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -48.8 -52.58 23.23 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.93 1.292 . . . . 99.99 112.12 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 87.7 t 60.66 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 125.114 1.366 . . . . 99.99 111.952 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 3.8 m 63.89 35.47 10.91 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.654 1.181 . . . . 99.99 111.31 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.6 t -98.33 -8.68 26.65 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.894 -0.594 . . . . 99.99 111.386 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -159.39 153.58 23.66 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.621 0.769 . . . . 99.99 109.605 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -78.96 87.56 4.78 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.137 0.575 . . . . 99.99 110.998 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 56.7 m 68.44 -68.78 0.16 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.754 1.621 . . . . 99.99 113.129 170.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 58.7 t80 69.62 26.8 4.92 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.686 1.194 . . . . 99.99 111.127 174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -129.0 157.61 21.68 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-O 119.376 -0.68 . . . . 99.99 112.375 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.73 156.32 66.48 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.182 2.588 . . . . 99.99 111.985 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.0 t -87.2 7.46 28.23 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.325 0.65 . . . . 99.99 111.272 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 66.26 19.11 11.04 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.635 1.174 . . . . 99.99 111.333 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.4 m 62.03 -79.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.112 1.365 . . . . 99.99 110.916 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 t -165.65 -165.42 0.83 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.247 1.419 . . . . 99.99 107.495 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.12 -45.01 0.85 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.762 -1.199 . . . . 99.99 107.762 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -153.32 151.23 29.75 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.807 -1.542 . . . . 99.99 107.49 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.2 m 66.83 86.73 0.13 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.501 1.12 . . . . 99.99 109.753 -172.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -72.3 83.92 1.2 Allowed 'Trans proline' 0 C--N 1.382 2.335 0 C-N-CA 123.254 2.636 . . . . 99.99 111.031 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.71 122.06 0.89 Allowed Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.787 -0.642 . . . . 99.99 111.577 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -157.7 122.14 4.28 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.312 -0.995 . . . . 99.99 108.312 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.15 105.18 1.03 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.761 0.824 . . . . 99.99 112.119 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 92.9 mt 54.94 25.26 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.288 1.435 . . . . 99.99 111.827 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.76 -77.77 0.03 OUTLIER 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.969 1.308 . . . . 99.99 109.5 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -157.04 15.54 0.28 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.777 0.831 . . . . 99.99 110.628 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 -123.89 34.45 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 119.978 -0.346 . . . . 99.99 112.349 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 71.56 168.83 9.81 Favored Glycine 0 C--N 1.349 1.271 0 N-CA-C 114.301 0.48 . . . . 99.99 114.301 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -136.34 -29.14 0.99 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 99.99 111.374 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 64.19 -100.17 0.38 Allowed Glycine 0 C--N 1.343 0.949 0 N-CA-C 110.548 -1.021 . . . . 99.99 110.548 -167.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 20.2 t 76.28 -41.39 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.109 1.764 . . . . 99.99 113.035 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.1 mt -78.66 80.6 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 124.612 1.165 . . . . 99.99 108.881 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 38.2 p -125.51 3.25 7.64 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.681 1.193 . . . . 99.99 110.545 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -20.15 65.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.021 0.929 . . . . 99.99 111.844 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -68.53 -27.41 66.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.113 0.565 . . . . 99.99 111.213 171.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 17.1 tp -104.76 9.89 34.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.65 0.78 . . . . 99.99 110.733 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 37.7 tp -57.69 120.44 8.37 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.358 0.663 . . . . 99.99 109.849 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 56.17 80.74 0.14 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.317 1.047 . . . . 99.99 109.614 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.29 22.49 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.511 -0.768 . . . . 99.99 109.803 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.76 141.67 28.7 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.64 161.07 0.23 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.851 1.261 . . . . 99.99 111.446 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.84 -71.6 0.37 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.27 0.628 . . . . 99.99 109.801 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.409 HG22 HD13 ' E' ' 226' ' ' LEU . 9.4 p -133.01 143.0 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 172.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 11.6 p -113.81 80.93 1.44 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.895 0.878 . . . . 99.99 110.062 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 226' ' ' LEU . . . . . 0.409 HD13 HG22 ' E' ' 224' ' ' VAL . 6.3 mp -112.41 -2.33 14.77 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.043 1.337 . . . . 99.99 110.125 172.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.82 16.12 79.59 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.437 0.461 . . . . 99.99 112.668 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 159.2 -59.61 0.32 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.809 -0.916 . . . . 99.99 110.809 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 229' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' B' ' 6' ' ' ASN . . . 147.38 -155.21 26.4 Favored Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.928 -0.469 . . . . 99.99 111.928 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -82.31 -36.16 27.23 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 99.99 110.758 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 68.93 -70.61 0.13 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.279 1.431 . . . . 99.99 111.345 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 9.0 t -136.79 6.2 2.91 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.955 0.902 . . . . 99.99 110.771 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 90.7 t80 62.46 -81.71 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.929 1.292 . . . . 99.99 110.564 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -82.05 118.13 22.78 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.599 -1.26 . . . . 99.99 107.599 172.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.8 128.1 34.87 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.906 0.754 . . . . 99.99 110.047 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 10.3 m 67.61 6.18 4.84 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.497 1.119 . . . . 99.99 112.338 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.13 34.79 23.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.189 0.996 . . . . 99.99 110.679 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.612 ' HA ' HD21 ' E' ' 332' ' ' LEU . 66.5 m 75.34 -61.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.847 1.659 . . . . 99.99 112.744 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.37 -65.98 1.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.024 0.53 . . . . 99.99 110.625 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 151.85 -159.64 28.41 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 116.353 -0.385 . . . . 99.99 112.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -93.54 68.67 4.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.111 0.965 . . . . 99.99 111.768 -173.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 72.6 m95 63.29 122.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.897 1.279 . . . . 99.99 113.303 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -143.27 115.78 8.59 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.565 1.146 . . . . 99.99 108.021 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 168.68 -126.2 1.36 Allowed Glycine 0 C--N 1.354 1.529 0 C-N-CA 121.536 -0.364 . . . . 99.99 113.642 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -67.3 136.91 55.61 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.732 0.813 . . . . 99.99 112.983 -171.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 3.8 t -175.43 -61.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.095 1.497 . . . . 99.99 110.444 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.09 72.41 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.864 0.866 . . . . 99.99 113.235 -165.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.87 -30.35 58.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 117.851 0.296 . . . . 99.99 110.981 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.5 -36.02 63.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.599 0.562 . . . . 99.99 110.485 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -69.8 -29.54 66.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.734 0.414 . . . . 99.99 110.369 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -79.07 -13.86 59.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.214 1.006 . . . . 99.99 112.766 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -57.93 -35.7 71.46 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.418 0.687 . . . . 99.99 112.27 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -71.77 -26.23 62.36 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.185 0.594 . . . . 99.99 111.392 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 63.24 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.806 1.642 . . . . 99.99 110.907 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -140.76 -140.97 3.93 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.236 -0.746 . . . . 99.99 111.236 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -131.88 -31.43 1.52 Allowed 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.201 1.001 . . . . 99.99 110.241 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 58.67 -140.39 0.74 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.86 -1.067 . . . . 99.99 109.208 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 tt 69.59 -69.92 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.994 1.318 . . . . 99.99 108.742 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.6 -64.69 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 168.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.5 m 73.37 -43.38 0.55 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.777 1.631 . . . . 99.99 114.626 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 37.1 t70 52.97 61.46 3.17 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.364 1.078 . . . . 99.99 109.179 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.66 49.74 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.091 -1.413 . . . . 99.99 112.069 -174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -52.34 -51.89 56.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.238 1.415 . . . . 99.99 113.703 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 47.1 t -126.27 -57.56 1.39 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.343 0.657 . . . . 99.99 111.268 -170.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.94 23.01 13.19 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.691 1.197 . . . . 99.99 109.357 -172.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.1 t30 52.48 89.84 0.03 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.493 1.517 . . . . 99.99 111.304 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 7.3 m 59.18 -85.12 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.005 1.322 . . . . 99.99 111.123 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 12.8 p -171.25 27.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.653 1.581 . . . . 99.99 107.889 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 70.0 p 53.68 26.69 6.08 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 126.249 1.82 . . . . 99.99 113.138 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -170.79 111.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.776 0.83 . . . . 99.99 109.297 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.03 -61.15 2.86 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.691 0.796 . . . . 99.99 112.781 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -114.83 -60.47 1.88 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.55 -0.537 . . . . 99.99 109.55 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 178.95 175.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.795 1.238 . . . . 99.99 108.365 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -74.03 13.23 0.56 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.174 0.99 . . . . 99.99 112.272 171.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -60.51 166.47 4.21 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 125.256 1.422 . . . . 99.99 112.101 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.15 119.41 4.42 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.921 2.414 . . . . 99.99 111.972 167.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.37 -54.48 0.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.744 -0.662 . . . . 99.99 109.57 -168.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' C' ' 94' ' ' MET . 1.4 pp -151.95 -174.38 4.84 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.228 0.611 . . . . 99.99 112.299 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 109.5 61.65 0.52 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.275 -0.875 . . . . 99.99 112.525 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.41 ' O ' HD22 ' C' ' 98' ' ' LEU . 3.8 pp -149.21 142.25 24.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 110.06 -0.348 . . . . 99.99 110.06 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.487 ' HD1' HG22 ' C' ' 46' ' ' THR . 77.1 m-85 -116.46 100.64 8.0 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 170.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -70.31 98.32 1.37 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.169 0.588 . . . . 99.99 110.222 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.83 -35.02 77.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.163 0.985 . . . . 99.99 111.381 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 70.81 -85.04 0.37 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.26 30.52 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.428 1.091 . . . . 99.99 108.677 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.8 107.98 1.72 Allowed Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 109.446 -0.575 . . . . 99.99 109.446 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.52 103.24 1.57 Allowed 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.399 2.066 . . . . 99.99 110.862 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.78 79.42 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.756 0.788 . . . . 99.99 109.136 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.68 130.26 39.69 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.464 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 -76.35 178.63 6.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 -171.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.464 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 168.35 134.81 1.78 Allowed Glycine 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.24 -28.19 55.81 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.968 2.445 . . . . 99.99 112.303 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -159.53 13.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.545 -1.207 . . . . 99.99 109.255 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 67.9 167.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.173 1.389 . . . . 99.99 112.043 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.412 ' OG1' HD13 ' C' ' 126' ' ' LEU . 21.4 m -80.26 -76.18 0.23 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.492 0.717 . . . . 99.99 110.358 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -83.48 78.22 9.69 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.551 -0.907 . . . . 99.99 108.551 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -155.19 119.23 4.61 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.541 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 154.35 -155.98 26.55 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.609 -0.596 . . . . 99.99 111.609 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.4 106.22 8.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.504 ' HB ' ' CH2' ' C' ' 36' ' ' TRP . 61.6 mt -126.5 98.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.512 -0.921 . . . . 99.99 108.512 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -138.88 -17.78 1.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.299 1.04 . . . . 99.99 109.696 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.636 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 0.1 OUTLIER -109.52 102.75 50.89 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.743 1.217 . . . . 99.99 110.22 -172.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -88.36 -83.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.658 2.239 . . . . 99.99 110.093 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.739 ' HB1' ' HG3' ' E' ' 2' ' ' LYS . . . 52.28 74.77 0.26 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.975 1.31 . . . . 99.99 113.573 165.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.73 108.14 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.456 0.702 . . . . 99.99 110.09 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 44.5 p -137.97 152.22 48.7 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.168 0.987 . . . . 99.99 110.571 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 63.5 m -145.39 119.05 9.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.327 0.651 . . . . 99.99 109.407 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 9.1 t -66.57 143.52 98.21 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 123.934 0.894 . . . . 99.99 111.465 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.56 170.82 19.42 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.964 2.442 . . . . 99.99 112.946 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.556 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 7.1 p30 -176.01 -30.45 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.608 0 C-N-CA 124.65 1.18 . . . . 99.99 112.844 -170.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 58.5 Cg_endo -84.5 45.46 1.71 Allowed 'Trans proline' 0 C--N 1.412 3.883 0 CA-C-N 122.807 2.038 . . . . 99.99 110.293 168.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.69 51.49 1.16 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.006 1.322 . . . . 99.99 110.252 -168.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -150.04 116.16 5.68 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.247 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.86 -171.28 3.34 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 125.676 1.59 . . . . 99.99 107.016 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -146.76 73.29 1.31 Allowed 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.369 0.604 . . . . 99.99 110.539 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 317' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 70.9 m -144.49 148.19 34.22 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.381 -0.827 . . . . 99.99 109.315 169.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.63 145.68 30.89 Favored Pre-proline 0 N--CA 1.489 1.497 0 C-N-CA 123.089 0.556 . . . . 99.99 110.908 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 319' ' ' PRO . . . . . 0.566 ' HB3' ' HB2' ' E' ' 173' ' ' LEU . 72.0 Cg_endo -82.37 118.05 2.86 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.677 2.252 . . . . 99.99 112.338 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 57.5 p -120.86 -73.78 0.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.551 0.74 . . . . 99.99 110.761 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 34.8 tp -103.6 -22.66 13.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.413 0.685 . . . . 99.99 112.677 -168.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -65.01 -9.78 24.45 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -20.43 60.21 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.921 0.889 . . . . 99.99 110.453 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 98.3 mmm 76.74 -65.94 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.056 1.742 . . . . 99.99 112.094 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 26.5 m 65.46 -81.09 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 125.161 1.384 . . . . 99.99 112.281 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.22 -57.93 10.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.243 1.017 . . . . 99.99 111.274 -173.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' E' ' 331' ' ' LEU . 1.4 tmtm? -75.56 18.02 0.25 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.988 0.915 . . . . 99.99 112.76 -170.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -83.01 -59.94 2.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.407 0.683 . . . . 99.99 109.847 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 41.4 pt -86.84 -27.03 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.125 0.57 . . . . 99.99 110.94 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.85 -8.59 58.27 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.466 1.107 . . . . 99.99 110.23 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.622 ' HA ' ' HD3' ' E' ' 327' ' ' LYS . 6.3 tt -47.88 -63.61 1.02 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.953 1.301 . . . . 99.99 111.226 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' E' ' 238' ' ' THR . 1.3 tt -158.54 -63.84 0.08 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.665 -0.865 . . . . 99.99 108.665 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.1 t 65.32 -176.52 0.18 Allowed 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.534 1.146 . . . . 99.99 109.775 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' E' ' 120' ' ' TYR . 23.3 mmtp -147.42 106.53 3.87 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.465 -0.569 . . . . 99.99 109.465 177.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -147.4 165.93 28.71 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.562 1.145 . . . . 99.99 109.434 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' E' ' 384' ' ' THR . 10.3 tp10 -71.73 126.31 29.38 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.195 0.598 . . . . 99.99 110.088 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 64.85 25.1 12.83 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.494 1.117 . . . . 99.99 111.263 -170.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.9 81.43 1.28 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.795 -1.322 . . . . 99.99 109.795 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.0 t80 72.66 131.19 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.909 1.684 . . . . 99.99 109.838 -166.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -66.65 101.88 0.85 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.561 0.744 . . . . 99.99 110.048 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 341' ' ' LEU . . . . . 0.498 HD13 ' N ' ' E' ' 342' ' ' GLN . 0.8 OUTLIER -148.94 152.98 37.32 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.677 -0.86 . . . . 99.99 108.677 -176.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 342' ' ' GLN . . . . . 0.498 ' N ' HD13 ' E' ' 341' ' ' LEU . 63.1 tt0 -60.67 108.08 0.78 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.289 1.036 . . . . 99.99 110.905 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.73 167.84 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.774 0.829 . . . . 99.99 110.873 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -66.68 116.14 7.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.894 0.478 . . . . 99.99 110.385 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.03 21.61 0.07 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 123.841 0.713 . . . . 99.99 112.238 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -87.54 -49.14 7.38 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.616 0.766 . . . . 99.99 110.272 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 26.4 m -81.59 104.66 12.16 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.074 -0.967 . . . . 99.99 109.887 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 348' ' ' ILE . . . . . 0.502 HD13 ' H ' ' E' ' 348' ' ' ILE . 0.2 OUTLIER -71.77 156.78 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.957 0.503 . . . . 99.99 110.332 172.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.89 104.64 2.12 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.491 -0.777 . . . . 99.99 111.356 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 64.26 -81.36 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.491 1.517 . . . . 99.99 112.814 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -71.1 109.34 5.11 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.011 0.524 . . . . 99.99 111.634 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.89 -60.43 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.819 -1.082 . . . . 99.99 109.509 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -93.51 -27.72 16.5 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.362 0.665 . . . . 99.99 110.991 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.47 -87.16 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.11 1.364 . . . . 99.99 111.78 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 56.4 87.01 0.06 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.928 1.291 . . . . 99.99 112.635 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -78.67 -31.86 0.78 Allowed Pre-proline 0 CA--C 1.573 1.864 0 CA-C-O 117.436 -1.269 . . . . 99.99 113.429 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.38 90.48 0.27 Allowed 'Trans proline' 0 C--N 1.407 3.644 0 CA-C-N 122.643 1.98 . . . . 99.99 112.343 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.0 m -133.9 -2.71 2.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.027 0.931 . . . . 99.99 111.072 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -82.3 -17.16 69.74 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-O 119.255 -0.747 . . . . 99.99 113.61 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.63 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 125.055 1.342 . . . . 99.99 109.571 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 4.0 tt -117.59 -42.21 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 99.99 108.983 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 362' ' ' GLY . . . . . 0.572 ' HA3' ' HB ' ' E' ' 365' ' ' VAL . . . 81.94 -65.28 4.08 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.25 -0.886 . . . . 99.99 111.417 -173.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 60.73 104.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.153 1.381 . . . . 99.99 110.42 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 7.7 m 64.08 38.22 8.59 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.912 1.339 . . . . 99.99 108.339 -166.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 365' ' ' VAL . . . . . 0.572 ' HB ' ' HA3' ' E' ' 362' ' ' GLY . 13.9 p -77.11 148.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 113.925 -1.489 . . . . 99.99 110.156 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.47 113.04 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.294 -0.632 . . . . 99.99 109.294 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.77 -6.11 50.91 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.963 0.905 . . . . 99.99 111.202 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -56.55 -29.51 62.05 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.917 1.287 . . . . 99.99 111.736 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.91 -23.29 67.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.277 1.031 . . . . 99.99 112.115 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.59 67.53 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.931 0.893 . . . . 99.99 113.176 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.32 -19.72 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.228 0.611 . . . . 99.99 112.022 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.53 -18.31 51.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.26 1.024 . . . . 99.99 112.411 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.68 -24.65 67.64 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 99.99 111.825 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.69 74.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.94 0.496 . . . . 99.99 110.741 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.21 -27.57 60.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.451 0.701 . . . . 99.99 110.842 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.13 -40.26 90.51 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.301 0.641 . . . . 99.99 110.034 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.53 -27.57 64.26 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.692 -0.685 . . . . 99.99 110.813 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.4 -16.58 64.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.851 0.46 . . . . 99.99 111.933 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -86.4 1.53 50.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.876 0.87 . . . . 99.99 112.586 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.78 -46.15 76.22 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 110.132 -0.321 . . . . 99.99 110.132 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 66.5 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.781 1.301 . . . . 99.99 111.195 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -74.15 80.37 0.85 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.086 -1.606 . . . . 99.99 109.086 168.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.5 84.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.168 1.387 . . . . 99.99 112.159 -167.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 384' ' ' THR . . . . . 0.464 HG21 ' HG2' ' E' ' 336' ' ' GLU . 11.2 m 54.07 -66.14 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.586 2.354 . . . . 99.99 114.435 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 87.0 mt 81.61 -55.83 0.26 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.56 1.944 . . . . 99.99 110.314 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.02 149.85 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.466 0.706 . . . . 99.99 110.76 173.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 387' ' ' ILE . . . . . 0.579 ' H ' HD13 ' E' ' 387' ' ' ILE . 0.2 OUTLIER -116.44 143.71 25.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 C-N-CA 123.562 0.745 . . . . 99.99 109.379 177.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.51 152.52 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 109.103 -0.702 . . . . 99.99 109.103 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.8 t -99.96 160.97 13.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.999 0.52 . . . . 99.99 111.308 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -138.75 92.34 2.61 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.765 0.826 . . . . 99.99 109.28 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.22 149.51 33.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.563 0.745 . . . . 99.99 110.32 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -117.91 -178.77 3.57 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.64 0.776 . . . . 99.99 110.297 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -74.45 88.33 2.1 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.217 0.532 . . . . 99.99 111.336 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.79 -38.01 14.98 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.204 1.002 . . . . 99.99 110.947 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.59 143.9 34.33 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.297 0.639 . . . . 99.99 109.301 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.2 t -81.9 -60.38 2.25 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 122.507 0.323 . . . . 99.99 110.471 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' E' ' 402' ' ' ASP . 22.4 mm-40 59.33 -164.85 0.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.574 1.15 . . . . 99.99 111.136 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 398' ' ' ILE . . . . . 0.44 HG22 HG23 ' E' ' 399' ' ' VAL . 57.8 mt 69.15 154.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 124.637 1.175 . . . . 99.99 111.381 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.622 ' HA ' ' HA3' ' E' ' 407' ' ' GLY . 24.8 t 62.06 65.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.177 1.391 . . . . 99.99 109.2 -176.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . 0.273 . . 101.34 -72.3 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.691 0 C-N-CA 127.9 2.48 . . . . 99.99 112.676 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.58 128.24 12.46 Favored 'Trans proline' 0 C--N 1.398 3.173 0 CA-C-N 122.847 2.052 . . . . 99.99 112.152 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 402' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' E' ' 397' ' ' GLN . 25.6 t70 64.76 126.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.162 1.385 . . . . 99.99 112.479 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 29.4 m 77.25 -49.05 0.53 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.535 1.534 . . . . 99.99 111.36 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 78.15 -54.45 0.5 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.004 1.722 . . . . 99.99 112.252 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 405' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' E' ' 406' ' ' PRO . . . -46.76 -48.96 49.61 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.902 1.281 . . . . 99.99 114.084 -172.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 406' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' E' ' 405' ' ' ALA . 6.2 Cg_exo -75.93 85.57 1.62 Allowed 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 121.752 1.635 . . . . 99.99 109.583 171.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 407' ' ' GLY . . . . . 0.622 ' HA3' ' HA ' ' E' ' 399' ' ' VAL . . . 147.62 -23.39 1.5 Allowed Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.842 -0.617 . . . . 99.99 112.802 -176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.62 -60.51 2.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.863 0.465 . . . . 99.99 110.602 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 29.4 m 58.82 86.67 0.08 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.203 1.001 . . . . 99.99 111.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -160.78 149.4 16.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.898 0.479 . . . . 99.99 111.191 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.93 10.0 3.32 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.941 1.296 . . . . 99.99 113.676 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 1.5 pp -88.68 -7.54 56.16 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.373 0.669 . . . . 99.99 111.454 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 65.8 t30 68.18 170.88 0.28 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.387 1.475 . . . . 99.99 111.222 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.5 t -100.23 -176.42 3.22 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.566 -0.708 . . . . 99.99 109.609 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.55 37.6 0.75 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 99.99 111.406 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.04 -33.72 29.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 99.99 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.03 76.54 1.04 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.513 0.508 . . . . 99.99 113.599 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -73.25 94.44 2.0 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.968 0.907 . . . . 99.99 110.334 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.02 22.9 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.662 0 C-N-CA 124.766 1.226 . . . . 99.99 110.309 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 53.49 37.23 25.22 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.838 1.255 . . . . 99.99 111.383 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.57 84.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.426 1.49 . . . . 99.99 111.495 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 18.8 ttt 57.8 23.18 9.34 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.262 1.425 . . . . 99.99 112.774 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 28.0 t -91.51 -179.75 5.45 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 109.217 -0.66 . . . . 99.99 109.217 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 62.81 110.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.753 1.221 . . . . 99.99 112.553 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 86.72 -54.18 4.59 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.743 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.39 84.16 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.664 1.185 . . . . 99.99 110.849 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.0 p 174.53 -44.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.913 1.685 . . . . 99.99 108.025 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 428' ' ' GLU . . . . . 0.713 ' HB3' ' H ' ' E' ' 435' ' ' THR . 1.6 mp0 64.07 8.55 4.07 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.569 1.548 . . . . 99.99 112.658 -175.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -85.15 -5.93 59.31 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.758 0.823 . . . . 99.99 112.739 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.68 -61.45 2.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.548 1.139 . . . . 99.99 113.354 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 16.8 m -87.27 -63.6 1.28 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.606 -0.27 . . . . 99.99 111.347 -173.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -96.11 -67.95 0.82 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.422 0.527 . . . . 99.99 112.422 -175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 176.95 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.85 1.26 . . . . 99.99 108.765 -166.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -160.85 118.57 2.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.451 -1.314 . . . . 99.99 107.451 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.713 ' H ' ' HB3' ' E' ' 428' ' ' GLU . 24.8 m -69.33 85.32 0.4 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.032 0.933 . . . . 99.99 110.19 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.74 49.98 0.5 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 114.83 -1.077 . . . . 99.99 110.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 61.1 p 46.59 80.38 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.653 1.581 . . . . 99.99 112.065 -174.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -43.11 15.07 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.826 -1.079 . . . . 99.99 110.072 -172.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.59 -47.6 39.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.732 0.813 . . . . 99.99 110.992 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 77.8 -25.97 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.802 1.641 . . . . 99.99 111.844 -170.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.0 mp 78.0 -39.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.96 1.704 . . . . 99.99 111.552 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -58.68 116.01 3.43 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.459 1.103 . . . . 99.99 111.09 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -132.84 -53.03 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.746 0.818 . . . . 99.99 109.67 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 61.95 -173.94 0.14 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.465 1.106 . . . . 99.99 111.062 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 445' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' E' ' 446' ' ' PRO . . . -160.62 139.48 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.918 -0.935 . . . . 99.99 110.924 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 446' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' E' ' 445' ' ' GLY . 22.5 Cg_exo -68.74 125.5 12.76 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.517 2.144 . . . . 99.99 111.622 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -89.17 -30.04 18.86 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.547 0.529 . . . . 99.99 110.755 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 56.14 -164.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 118.195 -0.907 . . . . 99.99 111.508 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.67 122.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.596 1.158 . . . . 99.99 111.273 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.63 -32.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.063 0.945 . . . . 99.99 110.901 163.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.47 HG12 HG13 ' E' ' 452' ' ' VAL . 97.1 t -67.25 -89.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 122.79 0.436 . . . . 99.99 111.394 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.47 HG13 HG12 ' E' ' 451' ' ' VAL . 15.7 m -88.72 -27.37 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.095 0.558 . . . . 99.99 111.17 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 98.34 -103.35 2.78 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-O 119.391 -0.672 . . . . 99.99 111.556 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 56' ' ' TYR . 4.2 tt 60.43 89.23 0.07 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.876 1.27 . . . . 99.99 108.463 -167.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 91.6 m -108.27 107.07 17.52 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.688 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.0 t70 67.34 -84.48 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.637 1.175 . . . . 99.99 112.82 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -111.68 179.79 3.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.111 0.564 . . . . 99.99 112.521 -165.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 8.8 t -148.11 162.34 39.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.519 1.128 . . . . 99.99 109.434 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -114.09 112.77 23.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.482 0.713 . . . . 99.99 110.097 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 4.6 pp -79.58 145.3 33.18 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.134 -0.691 . . . . 99.99 109.134 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -95.2 -34.32 12.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 119.104 -0.474 . . . . 99.99 111.396 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 71.0 155.84 0.15 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.853 0.861 . . . . 99.99 111.936 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 463' ' ' THR . . . . . 0.55 HG22 ' HD3' ' E' ' 465' ' ' LYS . 0.0 OUTLIER -171.34 98.56 0.2 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.626 1.17 . . . . 99.99 108.954 168.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 23.5 mmt -101.6 37.24 1.85 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.333 0.653 . . . . 99.99 109.847 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' E' ' 463' ' ' THR . 4.0 mptp? -88.54 41.02 0.99 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.076 0.951 . . . . 99.99 109.394 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -155.62 145.04 20.99 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.222 1.009 . . . . 99.99 109.59 -170.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.46 169.77 22.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 99.99 109.736 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.7 pp -158.32 158.12 33.74 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.538 0.735 . . . . 99.99 109.699 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.27 141.74 25.31 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 110.505 -1.038 . . . . 99.99 110.505 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.528 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 3.1 tm? -59.32 -37.66 78.33 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.013 0.925 . . . . 99.99 110.905 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 C-N-CA 124.017 0.927 . . . . 99.99 110.553 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.652 -0.869 . . . . 99.99 108.652 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -98.57 2.79 47.76 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.159 0.584 . . . . 99.99 110.622 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 161.29 31.19 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.672 0.789 . . . . 99.99 109.241 173.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 66.56 15.16 10.03 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.157 0.983 . . . . 99.99 109.711 -166.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.27 102.15 0.02 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.628 1.571 . . . . 99.99 111.209 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' C' ' 151' ' ' GLU . 2.2 m-20 73.19 174.61 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.111 1.364 . . . . 99.99 111.66 177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.3 p -91.53 46.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.49 0.716 . . . . 99.99 111.643 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.95 -26.0 64.84 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 167.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.46 137.39 48.43 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.463 1.105 . . . . 99.99 110.624 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -138.92 116.98 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.517 -1.29 . . . . 99.99 107.517 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -135.63 118.16 15.88 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -137.1 135.82 37.78 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.331 0.652 . . . . 99.99 109.811 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 16' ' ' ILE . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 87.02 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 HD13 ' A' ' 13' ' ' ILE . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 27.8 108.959 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 12.57 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 37.56 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 5.43 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 6.92 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 5.61 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 12.68 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 32.78 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' HD22 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 57.34 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' HB1' ' E' ' 466' ' ' ALA . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 48.36 110.438 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 97.85 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.86 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 44' ' ' LEU . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 43.33 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 41.53 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 88.8 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 73.87 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.558 ' HB2' HD11 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.04 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 54.22 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 29.36 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 19.86 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 13.6 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.86 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 17.22 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 14.92 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 21.43 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 23.61 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 57.75 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 93.1 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.483 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 30.12 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 22.88 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 30.01 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 14.44 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 9.47 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 20.02 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.619 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t -95.87 102.17 13.94 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 pp -110.59 151.43 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.559 0.344 . . . . 99.99 110.921 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.41 170.09 8.58 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.66 1.184 . . . . 99.99 109.613 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.51 10.93 85.94 Favored Glycine 0 C--N 1.348 1.203 0 N-CA-C 114.511 0.564 . . . . 99.99 114.511 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -130.18 147.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.847 0.859 . . . . 99.99 110.354 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -154.14 171.43 19.15 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.923 -1.14 . . . . 99.99 107.923 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.47 -148.0 50.32 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 122.831 0.253 . . . . 99.99 113.536 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -63.69 -18.64 64.2 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.013 0.925 . . . . 99.99 112.189 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -67.93 -58.51 4.43 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.201 0.6 . . . . 99.99 109.598 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.03 -32.3 69.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.077 0.235 . . . . 99.99 110.84 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.48 -58.24 9.16 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.241 0.963 . . . . 99.99 110.293 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -78.69 -20.93 49.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.893 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.83 -43.5 94.54 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.928 0.491 . . . . 99.99 111.067 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.21 -15.47 63.39 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.502 -0.772 . . . . 99.99 111.933 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 95.56 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 94.48 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 73.2 113.331 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 48.9 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 94.19 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 55.88 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.619 HD21 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 21.71 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 15.39 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 9.95 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 20.66 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 7.34 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.59 HH12 HD12 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 15.45 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 4.41 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 7.34 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 7.28 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 4.96 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.649 ' SD ' HG21 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 48.88 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 26.6 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 17.97 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 8.38 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 20.1 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 13.71 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HG3' ' HA ' ' E' ' 131' ' ' TRP . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 20.05 112.39 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 56.76 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 62.97 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 56.46 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 77.42 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.08 127.56 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.446 ' O ' HG21 ' E' ' 463' ' ' THR . 3.4 p30 -82.55 65.39 7.66 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.85 0.86 . . . . 99.99 111.719 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HE2' HD12 ' A' ' 44' ' ' LEU . 47.9 m-85 -58.76 -35.93 73.55 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 114.7 -1.137 . . . . 99.99 109.476 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -51.27 68.63 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.872 1.669 . . . . 99.99 112.626 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.212 0.605 . . . . 99.99 111.007 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' E' ' 461' ' ' PHE . 2.3 tm? -69.04 -43.06 75.45 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.218 -0.66 . . . . 99.99 109.218 173.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.6 -39.46 93.83 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.682 0.614 . . . . 99.99 110.744 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -58.34 8.69 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.014 0.821 . . . . 99.99 110.39 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.01 -46.58 78.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 123.92 0.763 . . . . 99.99 111.589 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.04 -30.12 66.22 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.649 1.58 . . . . 99.99 111.312 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.61 -13.19 39.8 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 124.36 1.064 . . . . 99.99 111.911 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -146.12 8.21 1.07 Allowed 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 124.227 1.011 . . . . 99.99 110.312 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 74.92 -51.7 0.67 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 126.128 1.771 . . . . 99.99 112.325 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -74.47 -75.67 0.16 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.484 0.714 . . . . 99.99 111.994 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -148.05 1.8 0.66 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.155 0.582 . . . . 99.99 111.999 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.29 -5.53 76.64 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 119.82 -0.433 . . . . 99.99 112.692 -172.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 67.48 -67.81 0.17 Allowed 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.954 1.702 . . . . 99.99 111.308 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.18 42.35 43.53 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 111.682 -0.567 . . . . 99.99 111.682 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.6 m 62.14 79.94 0.24 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.817 1.247 . . . . 99.99 109.772 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 153' ' ' GLN . 45.9 mm-40 49.44 40.68 19.44 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.181 1.392 . . . . 99.99 113.332 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 55.06 75.11 0.33 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.757 0.823 . . . . 99.99 110.182 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 83.07 -61.58 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.666 1.586 . . . . 99.99 111.327 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' GLU . 38.5 tt0 49.57 58.79 5.03 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.9 1.28 . . . . 99.99 110.908 -175.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -159.98 78.39 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.809 -1.182 . . . . 99.99 107.809 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 125.158 1.383 . . . . 99.99 111.189 -177.208 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 108.541 -0.911 . . . . 99.99 108.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -89.09 126.33 35.4 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 107.961 -1.125 . . . . 99.99 107.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.12 153.09 23.36 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.006 0.523 . . . . 99.99 110.326 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -73.69 146.93 44.11 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.227 0.611 . . . . 99.99 110.19 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -163.75 -51.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.367 1.067 . . . . 99.99 108.584 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -179.72 -90.81 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.835 1.654 . . . . 99.99 106.725 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m 57.92 13.43 2.13 Favored 'General case' 0 CA--C 1.574 1.901 0 C-N-CA 124.523 1.129 . . . . 99.99 112.813 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -74.56 0.46 Allowed 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.358 -0.979 . . . . 99.99 108.358 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.624 ' HB3' HG23 ' B' ' 89' ' ' ILE . 5.2 ptm 61.58 168.88 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.417 1.887 . . . . 99.99 113.756 -176.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -147.14 144.32 28.91 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 113.856 -1.52 . . . . 99.99 107.562 167.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.64 153.71 34.97 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.62 0.575 . . . . 93.55 110.116 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.72 HG12 HG21 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 40.88 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 85.25 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' E' ' 124' ' ' SER . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 95.33 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 13.6 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 23.1 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 6.51 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 19.94 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 5.14 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 19.25 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 9.84 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 18.09 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 49.39 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 98.87 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 72.1 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.518 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 96.73 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.73 HD23 HD21 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 67.27 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.64 HG23 ' HG2' ' E' ' 12' ' ' PRO . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 66.97 110.439 -170.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HA ' ' HG2' ' E' ' 336' ' ' GLU . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 35.64 109.887 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 74.75 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 43.74 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 89.61 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.598 ' HA ' ' HB3' ' E' ' 328' ' ' ALA . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 85.91 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 76.71 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.437 ' CG ' HG12 ' E' ' 18' ' ' VAL . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 98.07 107.776 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.475 HG21 HD12 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 57.34 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 21.57 108.829 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.73 HD21 HD23 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 62.33 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 95.32 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 14.84 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 28.15 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.753 HG21 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 18.14 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 24.35 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 26.44 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 56.64 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.517 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 62.67 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 81.37 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 33.32 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 25.99 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 18.76 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 16.93 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 12.76 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.634 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 8.91 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 33.15 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 11.78 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 39.34 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.494 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 63.88 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 82.93 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.577 HD13 HD22 ' B' ' 98' ' ' LEU . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 98.2 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' B' ' 9' ' ' MET . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.65 ' HB2' ' HB ' ' E' ' 23' ' ' THR . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.631 ' HE2' ' HD2' ' E' ' 17' ' ' PRO . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.577 HD22 HD13 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 71.23 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 59.87 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 71.19 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 50.37 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 36.29 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.523 ' HB2' HG23 ' E' ' 67' ' ' ILE . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 87.59 112.468 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.72 HG21 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 37.19 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 13.07 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 10.37 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 12.29 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 8.75 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 59.14 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 13.3 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.753 HG21 HG21 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 9.86 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 13.13 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.02 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.442 ' HE1' HD12 ' B' ' 21' ' ' ILE . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 26.78 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 13.3 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 29.79 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 23.15 112.267 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 23.84 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.545 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 29.89 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 72.13 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 73.04 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' E' ' 6' ' ' ILE . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 90.81 110.557 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 43.15 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 61.27 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.57 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -70.59 114.77 9.02 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' E' ' 10' ' ' LEU . 51.2 t80 -64.43 -5.72 5.84 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.379 1.072 . . . . 99.99 113.122 -171.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.47 -36.87 1.44 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.967 1.307 . . . . 99.99 111.742 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.513 ' HB2' ' HA ' ' E' ' 63' ' ' PRO . . . -48.85 -49.18 40.64 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.112 1.365 . . . . 99.99 113.542 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.7 tt -72.48 -42.29 65.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -66.54 -19.44 65.78 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.139 0.576 . . . . 99.99 112.036 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' MET . . . . . 0.504 ' O ' ' HG2' ' B' ' 142' ' ' GLN . 25.2 mmt -59.82 -34.53 73.19 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.14 0.576 . . . . 99.99 111.442 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.72 -22.2 61.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.285 0.634 . . . . 99.99 110.386 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -89.42 -31.74 17.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.554 1.141 . . . . 99.99 111.083 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.86 15.24 26.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.798 0.839 . . . . 99.99 112.194 -171.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 138' ' ' MET . 12.5 mm100 -64.48 -68.17 0.38 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.46 0.304 . . . . 99.99 110.28 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 63.76 -68.45 0.09 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.561 1.544 . . . . 99.99 111.573 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' E' ' 47' ' ' LEU . 18.6 mm100 71.6 174.18 0.3 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.641 1.577 . . . . 99.99 112.954 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.83 154.78 0.14 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.568 1.547 . . . . 99.99 110.504 -166.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.49 63.21 4.38 Favored Glycine 0 N--CA 1.473 1.135 0 O-C-N 122.357 -0.214 . . . . 99.99 112.75 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -99.45 117.62 34.25 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.795 0.838 . . . . 99.99 110.683 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.88 29.56 12.2 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.325 -0.71 . . . . 99.99 111.325 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 68.5 p 54.96 17.81 1.99 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.347 1.859 . . . . 99.99 113.665 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 30.48 -82.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 128.351 2.66 . . . . 99.99 115.056 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -70.15 -76.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.69 0.796 . . . . 99.99 109.57 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 9.8 p80 63.93 -40.02 0.22 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 127.623 2.369 . . . . 99.99 117.377 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.28 127.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.111 1.364 . . . . 99.99 111.95 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 71.12 -88.99 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.88 0.872 . . . . 99.99 111.382 167.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 C-N-CA 124.475 1.11 . . . . 99.99 112.336 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' C' ' 144' ' ' GLN . 12.9 tpt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.476 -0.565 . . . . 99.99 109.476 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.519 ' H ' HG22 ' C' ' 149' ' ' THR . 62.1 m 52.31 24.11 2.73 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.508 1.523 . . . . 99.99 113.551 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 64.79 -87.39 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.609 1.163 . . . . 99.99 109.544 -167.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 38.02 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 127.172 2.189 . . . . 99.99 115.273 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.55 -25.05 67.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.435 1.494 . . . . 99.99 112.053 -172.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -104.41 37.61 2.07 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.065 1.346 . . . . 99.99 109.481 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 57.2 m -148.06 -37.65 0.19 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.482 0.713 . . . . 99.99 110.683 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -109.74 -163.15 0.84 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.804 0.842 . . . . 99.99 112.305 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 8.7 mmt 68.67 149.07 0.07 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 127.274 2.23 . . . . 99.99 113.733 171.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.75 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 56.7 m -129.37 118.4 22.15 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.058 -1.428 . . . . 99.99 110.131 -176.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -118.96 151.39 38.26 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 4.7 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 56.3 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 93.16 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.449 HH11 HG21 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 11.74 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 6.91 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 21.95 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 5.12 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 9.28 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.441 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 8.82 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 12.04 106.91 166.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 30.41 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.562 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 48.75 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 55.24 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 88.6 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 68.93 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 87.15 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 94.05 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 71.87 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 62.96 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 35.73 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 56.22 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 43.42 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 94.06 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 81.86 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' E' ' 276' ' ' PRO . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD11 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 29.6 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 20.9 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 69.19 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 14.53 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.42 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 17.7 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 29.53 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 32.22 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 59.66 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 71' ' ' GLU . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 97.29 109.464 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 76.35 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 37.0 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 34.06 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 39.96 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 16.54 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' C' ' 114' ' ' ILE . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' C' ' 110' ' ' ALA . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 9.25 108.804 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 25.23 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 10.6 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.497 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' C' ' 51' ' ' LEU . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 30.38 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.724 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.534 HG23 HD12 ' C' ' 89' ' ' ILE . 78.8 mt -114.44 120.27 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -142.94 119.39 10.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.318 0.647 . . . . 99.99 110.472 -171.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.02 -29.63 4.17 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.524 0.515 . . . . 99.99 113.915 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.534 HD12 HG23 ' C' ' 86' ' ' ILE . 68.4 mt -54.88 108.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.176 1.39 . . . . 99.99 110.526 -176.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -145.99 159.06 43.77 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.376 0.67 . . . . 99.99 111.138 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.66 -119.52 18.63 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 124.069 0.856 . . . . 99.99 114.479 169.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.1 p -70.26 -31.07 68.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.928 0.891 . . . . 99.99 110.827 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.525 HE21 HG23 ' C' ' 89' ' ' ILE . 0.0 OUTLIER -71.39 -39.25 71.3 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.698 0.799 . . . . 99.99 109.071 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 47.9 ttm -67.91 -40.27 83.43 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.292 0.637 . . . . 99.99 110.747 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.472 ' HA ' HD22 ' E' ' 280' ' ' LEU . . . -67.3 -35.31 79.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.051 0.54 . . . . 99.99 111.577 -177.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -84.83 -56.34 3.63 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.582 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.88 -54.41 5.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.479 0.712 . . . . 99.99 112.125 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 68.51 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 56.52 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 56.59 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 39.21 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.59 HD12 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 8.71 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.497 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 37.06 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 16.74 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 9.85 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 5.88 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 7.64 111.422 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 20.64 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 13.9 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 8.58 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 8.54 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 6.56 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.557 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 5.22 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 28.53 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 17.6 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.407 HH12 ' HG2' ' D' ' 112' ' ' GLU . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 15.17 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.441 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 24.81 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 29.42 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.545 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 59.85 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 41.85 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 38.57 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 24.62 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 24.48 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 68.05 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 133' ' ' PHE . . . . . 0.479 ' HD1' ' HG3' ' E' ' 286' ' ' MET . 78.9 m-85 -62.58 -25.42 68.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -51.23 -44.78 61.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.703 1.601 . . . . 99.99 111.314 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.56 -25.71 66.38 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.672 1.233 . . . . 99.99 112.932 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.66 -46.69 74.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.544 0.737 . . . . 99.99 109.671 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -80.3 -33.87 37.29 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.608 0.763 . . . . 99.99 110.904 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.66 -32.4 67.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.405 1.082 . . . . 99.99 110.59 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.64 81.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.788 0.835 . . . . 99.99 111.179 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -71.61 -103.75 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.877 -0.602 . . . . 99.99 110.922 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 57.78 4.61 0.28 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 114.271 1.212 . . . . 99.99 114.271 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.96 122.49 26.78 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 77.6 -34.5 0.2 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.316 1.446 . . . . 99.99 111.795 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 144' ' ' GLN . . . . . 0.442 ' HB3' ' SD ' ' C' ' 1' ' ' MET . 46.7 mt-30 -58.68 -39.62 81.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.722 0.809 . . . . 99.99 111.487 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.42 -71.51 0.74 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.108 0.563 . . . . 99.99 109.83 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.5 -105.52 0.92 Allowed Glycine 0 C--N 1.355 1.584 0 CA-C-O 120.158 -0.246 . . . . 99.99 113.584 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -90.98 111.86 23.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.443 0.697 . . . . 99.99 109.124 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 60.19 -121.73 27.61 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.053 0.845 . . . . 99.99 112.532 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 149' ' ' THR . . . . . 0.519 HG22 ' H ' ' C' ' 2' ' ' SER . 8.7 m 64.86 14.57 9.31 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.442 1.097 . . . . 99.99 111.227 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -178.67 121.53 0.09 Allowed 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.851 1.26 . . . . 99.99 107.92 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 6' ' ' ASN . 43.4 tt0 -169.25 -47.36 0.02 OUTLIER 'General case' 0 C--O 1.247 0.952 0 O-C-N 123.966 0.791 . . . . 99.99 109.933 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 t60 76.57 -59.15 0.5 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.109 1.764 . . . . 99.99 111.861 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 66.3 113.42 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.276 1.43 . . . . 99.99 111.124 -173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -162.63 -47.26 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.223 1.009 . . . . 99.99 109.327 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 124.029 0.931 . . . . 99.99 110.52 -178.072 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 C--O 1.242 0.709 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -179.19 168.35 1.53 Allowed 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.98 1.312 . . . . 99.99 109.022 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -88.67 -29.74 19.68 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.559 -1.2 . . . . 99.99 109.569 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -140.39 -51.94 0.49 Allowed 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 112.739 0.644 . . . . 99.99 112.739 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -123.18 103.13 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.56 0.618 . . . . 99.99 110.008 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -62.74 126.5 27.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.942 0.897 . . . . 99.99 111.17 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m 60.38 79.87 0.23 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.585 1.154 . . . . 99.99 110.61 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -159.32 -56.31 0.06 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.077 -0.965 . . . . 99.99 108.851 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -31.18 124.29 0.22 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 125.488 1.742 . . . . 99.99 112.769 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 32.6 p -108.16 131.24 54.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.859 0.864 . . . . 99.99 110.887 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 76.43 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 79.46 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 53.22 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' D' ' 19' ' ' LYS . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 19.87 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 8.43 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 36.9 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.557 HG21 ' HE2' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 4.02 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 7.64 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 5.08 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 7.19 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 13.41 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 12.01 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 20.55 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 22.26 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 34.6 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 31.63 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 49.29 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 31.29 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 52.79 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' E' ' 115' ' ' THR . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.672 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 74.77 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.472 ' HB2' ' HG ' ' E' ' 111' ' ' LEU . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 66.01 109.757 -172.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 77.52 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 38.8 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 48.36 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 52.73 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.71 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 82.32 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 96.95 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 82.8 105.352 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 44.56 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 19.48 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' D' ' 103' ' ' PRO . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 52.2 108.618 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.672 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 9.25 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 10.79 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 9.72 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 19.36 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 11.33 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.516 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 29.87 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 24.97 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 27.84 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 11.35 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.516 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 10.67 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 7.73 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 11.05 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.434 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' VAL . . . . . 0.412 HG22 HG23 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 5.05 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 21.68 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' D' ' 106' ' ' LEU . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.29 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 43.57 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 77.58 109.649 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.554 HD11 HD21 ' E' ' 100' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 88.57 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.499 HG12 ' HG3' ' D' ' 94' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.499 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 88.9 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 95.17 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.628 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 66.02 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 54.11 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 40.76 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 34.31 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.428 ' HB3' HD13 ' D' ' 60' ' ' LEU . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 28.69 113.448 169.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 61.29 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 19.65 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 13.09 112.039 -173.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 10.47 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 6.22 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 10.48 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 4.16 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' D' ' 128' ' ' LEU . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 10.22 111.206 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 112' ' ' GLU . . . . . 0.407 ' HG2' HH12 ' C' ' 120' ' ' ARG . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.39 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.54 HD12 HD11 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 5.37 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 7.06 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 6.71 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 5.08 111.775 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 5.65 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 10.21 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 6.99 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.449 HG21 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 18.26 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.538 ' HG3' ' HB2' ' E' ' 131' ' ' TRP . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 20.06 112.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 16.85 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 14.84 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 76.73 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.54 HD11 HD12 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 20.32 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 28.37 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.42 ' HB3' HD11 ' E' ' 70' ' ' LEU . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 32.68 112.307 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.482 HG21 HD22 ' D' ' 136' ' ' LEU . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 69.78 111.412 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD12 ' E' ' 71' ' ' ILE . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.491 ' H ' HD11 ' E' ' 71' ' ' ILE . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.75 -49.94 67.09 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.24 -29.89 63.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.914 -1.039 . . . . 99.99 111.039 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.482 HD22 HG21 ' D' ' 131' ' ' VAL . 27.6 tp -60.35 -25.16 65.63 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 122.763 0.425 . . . . 99.99 111.483 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -97.98 -50.85 4.25 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.21 0.604 . . . . 99.99 111.372 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 62.4 mtm -73.91 -55.64 5.93 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.04 0.536 . . . . 99.99 111.925 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 139' ' ' ASN . . . . . 0.548 ' HA ' ' HG3' ' D' ' 142' ' ' GLN . 29.2 t-20 -60.57 -23.82 64.94 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.945 0.898 . . . . 99.99 111.724 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -48.57 -41.88 31.89 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.102 0.961 . . . . 99.99 112.521 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.2 -49.32 10.94 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.294 0.569 . . . . 99.99 110.138 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 142' ' ' GLN . . . . . 0.548 ' HG3' ' HA ' ' D' ' 139' ' ' ASN . 15.3 pt20 -88.3 51.1 2.1 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.877 1.271 . . . . 99.99 111.055 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 143' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' D' ' 139' ' ' ASN . 26.9 tt0 -111.56 89.95 3.2 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.383 -0.823 . . . . 99.99 110.676 -166.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -170.78 136.22 1.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 113.726 -1.579 . . . . 99.99 108.67 172.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -144.28 5.37 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.978 0.911 . . . . 99.99 110.908 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 107.62 131.43 6.59 Favored Glycine 0 C--N 1.349 1.283 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 59.43 24.93 13.6 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.642 1.177 . . . . 99.99 111.572 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.43 7.6 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 109.501 -1.439 . . . . 99.99 109.501 -170.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 57.7 m -134.42 -49.08 0.78 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.642 0.721 . . . . 99.99 110.336 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 150' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' D' ' 151' ' ' GLU . 20.6 tt0 -110.38 -167.07 1.14 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.384 -0.969 . . . . 99.99 108.384 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' D' ' 150' ' ' GLU . 68.4 mt-10 -67.11 -64.29 0.88 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.911 0.484 . . . . 99.99 110.41 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 p80 45.9 21.96 0.11 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.112 1.765 . . . . 99.99 114.473 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -102.06 -68.3 0.83 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.512 0.725 . . . . 99.99 110.981 -170.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.83 -24.83 38.19 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.105 0.562 . . . . 99.99 110.663 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 173.869 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 110.854 -0.054 . . . . 99.99 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -142.35 134.63 27.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.358 1.063 . . . . 99.99 108.439 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -138.32 98.15 3.54 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.388 1.075 . . . . 99.99 108.334 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -66.57 -14.08 61.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.314 1.046 . . . . 99.99 113.299 -173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -67.75 -18.91 65.04 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.603 0.761 . . . . 99.99 112.025 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 128' ' ' LEU . 37.9 mm -87.5 133.46 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.162 0.585 . . . . 99.99 109.633 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.5 147.14 39.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.774 0.83 . . . . 99.99 110.353 -172.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' B' ' 42' ' ' LEU . 3.8 mm? -133.71 0.45 3.26 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.847 1.259 . . . . 99.99 110.129 173.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.83 -95.95 0.05 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.614 1.165 . . . . 99.99 111.894 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' B' ' 133' ' ' PHE . 26.6 tp -165.69 3.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.675 0.79 . . . . 99.99 110.424 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.48 176.56 0.06 OUTLIER Pre-proline 0 CA--C 1.568 1.657 0 C-N-CA 123.828 0.851 . . . . 99.99 110.054 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' PRO . . . . . 0.64 ' HG2' HG23 ' B' ' 46' ' ' THR . 17.1 Cg_exo -74.57 11.66 1.28 Allowed 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 121.84 1.693 . . . . 99.99 113.75 167.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 65.18 -73.38 0.06 Allowed 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.639 1.575 . . . . 99.99 110.703 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.1 91.9 0.52 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.246 -1.02 . . . . 99.99 108.246 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -66.06 -34.41 78.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.791 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m 35.67 64.92 2.03 Favored Pre-proline 0 CA--C 1.566 1.563 0 C-N-CA 126.05 1.74 . . . . 99.99 114.376 172.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.631 ' HD2' ' HE2' ' B' ' 94' ' ' MET . 83.4 Cg_endo -86.69 -51.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.169 1.912 . . . . 99.99 113.033 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.437 HG12 ' CG ' ' B' ' 56' ' ' TYR . 32.7 m -94.42 171.8 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.83 0.852 . . . . 99.99 109.298 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.19 80.36 0.23 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.676 0.751 . . . . 99.99 111.499 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.407 ' O ' HG22 ' E' ' 23' ' ' THR . 17.1 tptm 59.06 11.74 2.12 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.276 1.83 . . . . 99.99 112.915 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' B' ' 89' ' ' ILE . . . 51.11 32.29 7.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.676 1.191 . . . . 99.99 112.848 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 79.42 -20.96 0.36 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.246 1.418 . . . . 99.99 113.159 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' B' ' 90' ' ' GLU . 5.7 t -57.02 136.18 80.25 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 112.554 0.576 . . . . 99.99 112.554 -167.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.23 168.64 22.78 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.041 2.494 . . . . 99.99 112.265 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.17 48.35 0.86 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.664 0.745 . . . . 99.99 112.004 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 86.6 mtp -96.4 -42.81 0.26 Allowed Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.663 1.185 . . . . 99.99 113.353 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.03 42.24 1.07 Allowed 'Trans proline' 0 C--N 1.403 3.413 0 C-N-CA 122.117 1.878 . . . . 99.99 113.785 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.92 14.59 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.611 1.164 . . . . 99.99 111.98 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.84 161.57 17.95 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.791 0.836 . . . . 99.99 110.555 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 87.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.856 0.863 . . . . 99.99 111.411 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 70.39 -68.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.419 1.488 . . . . 99.99 111.173 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.54 29.25 15.33 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.024 1.33 . . . . 99.99 111.376 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.6 75.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 99.99 110.732 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 130.17 35.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 167.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -60.43 -42.95 97.14 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.524 0.729 . . . . 99.99 111.197 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 55.05 3.46 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -84.6 146.25 27.61 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.508 0.723 . . . . 99.99 110.159 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.4 tp -131.07 10.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.345 0 C-N-CA 123.472 0.709 . . . . 99.99 110.263 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 35.4 p -86.37 -48.22 8.66 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.251 -0.906 . . . . 99.99 109.911 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.17 -43.89 6.06 Favored Pre-proline 0 CA--C 1.567 1.62 0 N-CA-C 115.184 1.55 . . . . 99.99 115.184 -173.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.69 -37.89 65.23 Favored 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.786 2.324 . . . . 99.99 114.453 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.49 0.84 30.83 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.648 -0.529 . . . . 99.99 112.861 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.43 -42.18 82.71 Favored Glycine 0 C--N 1.356 1.64 0 C-N-CA 123.226 0.441 . . . . 99.99 113.53 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.49 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.793 1.237 . . . . 99.99 111.573 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -79.49 81.75 5.71 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.57 0.748 . . . . 99.99 110.75 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -158.76 -143.15 0.1 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 144' ' ' GLN . 79.2 mt -78.62 34.31 0.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 119.513 1.051 . . . . 99.99 112.21 177.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 50.5 m -140.77 5.43 1.97 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.133 1.373 . . . . 99.99 109.113 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.89 -126.42 1.33 Allowed Glycine 0 C--N 1.355 1.605 0 O-C-N 122.028 -0.42 . . . . 99.99 112.847 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.52 -52.22 54.26 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.387 1.075 . . . . 99.99 112.417 -173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -67.52 -12.77 61.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.316 1.047 . . . . 99.99 112.714 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' THR . . . . . 0.468 ' HA ' HD23 ' E' ' 47' ' ' LEU . 10.2 m -52.19 -30.4 26.85 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.973 0.909 . . . . 99.99 112.719 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 53' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' E' ' 56' ' ' ARG . . . -49.71 -28.78 6.49 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.826 1.25 . . . . 99.99 112.998 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 101.79 4.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.464 0.706 . . . . 99.99 109.857 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt 61.52 52.6 3.63 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.901 1.281 . . . . 99.99 111.98 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 56' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' E' ' 53' ' ' ALA . 0.0 OUTLIER -88.22 20.0 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.15 0.98 . . . . 99.99 111.875 175.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -103.89 122.29 44.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.169 0.587 . . . . 99.99 110.79 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.1 m 75.24 -54.3 0.65 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 125.869 1.667 . . . . 99.99 113.528 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 74.11 159.84 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 125.207 1.403 . . . . 99.99 112.244 173.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 66.6 m -70.63 138.69 50.99 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.49 0.716 . . . . 99.99 111.665 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -177.24 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.668 1.187 . . . . 99.99 109.59 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.588 ' HD3' ' HB2' ' E' ' 90' ' ' ALA . 29.1 mtmm -67.65 153.97 94.12 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.736 1.214 . . . . 99.99 112.066 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 135' ' ' ALA . 19.4 Cg_exo -66.07 154.45 74.02 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.716 2.277 . . . . 99.99 112.269 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.29 172.0 11.99 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.485 0.66 . . . . 99.99 111.264 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.424 ' HD2' HG12 ' E' ' 68' ' ' ILE . 13.4 tmtt? -70.29 125.38 26.62 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.661 -1.154 . . . . 99.99 109.053 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -69.03 118.53 12.04 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.877 0.871 . . . . 99.99 110.167 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 104' ' ' ASN . 44.2 pt 40.11 83.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 126.082 1.753 . . . . 99.99 114.197 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 68' ' ' ILE . . . . . 0.424 HG12 ' HD2' ' E' ' 65' ' ' LYS . 56.1 mt -64.06 -13.88 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.606 1.163 . . . . 99.99 111.752 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 48.5 mt -48.77 -44.58 38.89 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.765 1.226 . . . . 99.99 111.217 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' D' ' 130' ' ' PRO . 5.5 mp -91.21 117.28 29.5 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.662 -1.236 . . . . 99.99 107.662 171.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.491 HD11 ' H ' ' D' ' 133' ' ' PHE . 1.5 mp 62.88 92.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.57 1.148 . . . . 99.99 109.067 -174.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.44 161.34 34.81 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.509 -0.769 . . . . 99.99 111.623 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -150.34 150.3 31.27 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.05 0.54 . . . . 99.99 110.931 -172.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.29 171.54 38.19 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.926 -0.869 . . . . 99.99 110.926 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 15.7 tpt -154.54 -42.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.932 0.493 . . . . 99.99 111.532 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 79.51 0.07 OUTLIER Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.418 -0.42 . . . . 99.99 112.095 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 77' ' ' ASP . . . . . 0.421 ' HB2' ' H ' ' E' ' 314' ' ' ARG . 8.7 m-20 -118.63 20.29 12.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.662 0.785 . . . . 99.99 110.252 -174.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -69.13 -17.79 63.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.078 0.951 . . . . 99.99 112.818 -170.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.08 -33.05 72.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.476 1.11 . . . . 99.99 109.891 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt 56.77 78.77 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.361 1.464 . . . . 99.99 111.382 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -94.77 155.51 16.79 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.498 -1.228 . . . . 99.99 108.907 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.77 88.38 0.37 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.524 0.73 . . . . 99.99 110.531 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.03 61.72 1.11 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.773 0.829 . . . . 99.99 111.355 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.424 ' NH1' ' SD ' ' B' ' 138' ' ' MET . 7.6 mmt180 -131.3 162.22 30.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.686 0.794 . . . . 99.99 110.278 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.52 17.88 10.01 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.152 1.381 . . . . 99.99 109.487 -155.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -111.78 -34.72 5.94 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.561 1.544 . . . . 99.99 107.619 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 87' ' ' ALA . . . . . 0.509 ' HA ' HG21 ' E' ' 309' ' ' THR . . . -76.99 87.22 3.51 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 114.319 -1.31 . . . . 99.99 109.505 175.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -140.84 142.99 34.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.295 0.638 . . . . 99.99 110.279 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.02 43.66 0.03 OUTLIER Glycine 0 C--N 1.344 0.989 0 O-C-N 123.79 0.681 . . . . 99.99 111.965 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 90' ' ' ALA . . . . . 0.588 ' HB2' ' HD3' ' E' ' 62' ' ' LYS . . . -91.99 158.25 16.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.427 0.691 . . . . 99.99 111.098 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 91' ' ' GLY . . . . . 0.405 ' HA3' ' HE2' ' E' ' 94' ' ' PHE . . . 167.1 -117.07 0.71 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.21 -132.31 2.58 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.292 -0.723 . . . . 99.99 111.292 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.52 106.91 19.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.419 0.688 . . . . 99.99 110.157 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 94' ' ' PHE . . . . . 0.405 ' HE2' ' HA3' ' E' ' 91' ' ' GLY . 16.9 p90 -157.84 178.4 10.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.978 0.911 . . . . 99.99 110.552 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -89.17 159.07 17.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.326 0.651 . . . . 99.99 110.671 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 96' ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . -161.13 -52.98 0.02 OUTLIER Glycine 0 C--N 1.344 0.999 0 CA-C-N 116.684 -0.235 . . . . 99.99 113.414 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 97' ' ' ILE . . . . . . . . . . . . . 8.5 mt -104.54 -78.57 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.143 -0.688 . . . . 99.99 109.143 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.5 t70 173.8 -56.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.881 1.673 . . . . 99.99 108.546 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.21 -175.48 5.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.179 0.992 . . . . 99.99 109.729 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.554 HD21 HD11 ' D' ' 86' ' ' ILE . 2.2 mm? -127.12 84.58 63.1 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 123.587 0.755 . . . . 99.99 110.48 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.7 73.48 5.48 Favored 'Trans proline' 0 C--N 1.37 1.695 0 C-N-CA 122.732 2.288 . . . . 99.99 110.928 165.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.445 ' HG ' ' HB1' ' D' ' 95' ' ' ALA . 0.9 OUTLIER -66.71 -80.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.551 -0.537 . . . . 99.99 109.551 -176.064 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -145.28 126.24 14.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.028 0.931 . . . . 99.99 109.527 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.24 -36.03 25.23 Favored Glycine 0 C--N 1.343 0.934 0 N-CA-C 111.413 -0.675 . . . . 99.99 111.413 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.04 137.17 35.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.841 0.856 . . . . 99.99 109.666 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -83.99 74.74 10.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.574 0.75 . . . . 99.99 110.284 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 107' ' ' THR . . . . . 0.516 HG21 ' HB2' ' E' ' 111' ' ' LEU . 27.1 m 59.1 101.52 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.086 1.354 . . . . 99.99 112.496 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -76.81 -22.09 54.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.041 0.536 . . . . 99.99 111.495 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -82.24 165.24 20.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.605 0.762 . . . . 99.99 111.333 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.63 98.33 6.88 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.52 -0.764 . . . . 99.99 109.941 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.516 ' HB2' HG21 ' E' ' 107' ' ' THR . 18.9 tp -93.42 53.1 1.84 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.395 1.078 . . . . 99.99 109.035 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 66.64 150.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 126.377 1.871 . . . . 99.99 110.859 -166.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -154.33 33.51 0.42 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.472 0.709 . . . . 99.99 110.383 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tptt 69.93 138.88 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.566 1.146 . . . . 99.99 111.908 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 115' ' ' THR . . . . . 0.54 ' H ' ' HG3' ' D' ' 41' ' ' LYS . 25.5 m 74.39 139.93 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.006 1.722 . . . . 99.99 113.061 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.55 -162.05 25.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.576 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.34 129.1 6.93 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 107.51 -1.293 . . . . 99.99 107.51 173.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.37 102.23 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.797 2.331 . . . . 99.99 113.152 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.76 -20.12 61.24 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.702 0.801 . . . . 99.99 109.715 166.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -145.18 148.61 33.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.234 1.414 . . . . 99.99 107.6 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 60.1 t 65.98 74.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.441 1.096 . . . . 99.99 109.757 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 2.4 m -134.29 151.64 51.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.834 0.854 . . . . 99.99 109.781 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.46 163.54 32.55 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 107.691 -1.226 . . . . 99.99 107.691 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 124' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' B' ' 15' ' ' ARG . 58.5 m -65.38 -13.19 58.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.265 0.626 . . . . 99.99 111.799 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.64 66.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.81 1.244 . . . . 99.99 112.132 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -25.32 64.81 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.989 0.916 . . . . 96.83 111.706 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 13.3 p -115.92 103.89 11.06 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.328 1.051 . . . . 99.99 109.478 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.428 ' HB2' HH22 ' B' ' 15' ' ' ARG . . . -152.82 41.3 0.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.084 0.554 . . . . 74.48 111.443 -174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 25.5 m -79.79 82.31 5.91 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.925 0.869 . . . . 99.99 109.84 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.46 84.69 1.37 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.487 -1.233 . . . . 99.99 108.451 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.538 ' HB2' ' HG3' ' D' ' 124' ' ' PRO . 1.8 t-105 -160.27 115.75 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.824 0.85 . . . . 99.99 109.686 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 29.1 t -170.77 141.25 1.77 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.433 1.493 . . . . 99.99 107.566 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 8.3 p -147.84 -64.77 0.26 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.557 0.743 . . . . 99.99 109.122 170.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.84 59.38 6.04 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.818 -0.628 . . . . 89.58 112.446 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.65 133.9 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 123.64 0.776 . . . . 99.99 110.705 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' E' ' 136' ' ' LYS . 0.0 OUTLIER -163.19 58.32 0.19 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.982 0.913 . . . . 99.99 111.008 -173.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.642 HG22 ' HA3' ' E' ' 162' ' ' GLY . 27.3 p -135.16 126.21 27.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.887 0.875 . . . . 99.99 109.42 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -122.03 159.39 27.13 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.917 0.887 . . . . 99.99 109.733 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -98.49 168.54 10.12 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.657 0.741 . . . . 99.99 111.884 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.489 ' HA2' ' HB3' ' E' ' 158' ' ' ALA . . . -76.66 75.91 1.6 Allowed Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.375 -1.284 . . . . 99.99 112.319 171.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' E' ' 145' ' ' ASP . . . 59.32 12.91 2.84 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.212 1.405 . . . . 99.99 114.004 174.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 27.2 tp 66.98 77.39 0.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.905 1.282 . . . . 99.99 111.006 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 120.88 -60.65 0.53 Allowed Glycine 0 C--N 1.344 0.989 0 CA-C-N 116.397 -0.365 . . . . 99.99 112.388 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.54 124.14 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.278 1.031 . . . . 99.99 108.32 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.456 ' HA ' ' HB3' ' E' ' 141' ' ' ALA . 10.7 t70 -86.3 124.56 32.8 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.049 -0.352 . . . . 99.99 110.049 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.2 mp -134.61 89.8 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 163.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -136.5 102.04 4.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.555 -1.276 . . . . 99.99 107.555 160.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.84 -39.39 51.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.083 -0.962 . . . . 99.99 110.24 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -111.28 101.19 9.69 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -129.54 150.73 50.75 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.86 0.864 . . . . 99.99 109.464 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -99.63 -39.39 0.23 Allowed Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 117.453 -1.26 . . . . 99.99 114.235 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -69.92 -39.88 5.71 Favored 'Trans proline' 0 C--N 1.398 3.145 0 CA-C-N 122.727 2.01 . . . . 99.99 112.559 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 86.7 m -72.95 121.29 19.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 46.0 mm -77.39 -41.99 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.996 -1.002 . . . . 99.99 110.602 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.676 ' HG ' ' HG3' ' E' ' 156' ' ' GLU . 29.4 tp -87.15 -70.18 0.63 Allowed 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 119.033 -0.508 . . . . 99.99 111.913 -171.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 156' ' ' GLU . . . . . 0.676 ' HG3' ' HG ' ' E' ' 155' ' ' LEU . 0.0 OUTLIER -153.6 -91.31 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 118.752 0.705 . . . . 99.99 112.282 -176.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' E' ' 156' ' ' GLU . 5.4 mpp? -93.67 175.64 6.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.697 1.199 . . . . 99.99 109.853 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 158' ' ' ALA . . . . . 0.489 ' HB3' ' HA2' ' E' ' 140' ' ' GLY . . . -80.03 51.32 1.34 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.114 0.959 . . . . 99.99 111.146 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -77.75 -26.97 50.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.597 1.559 . . . . 99.99 110.231 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.82 82.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.273 -0.876 . . . . 99.99 110.656 174.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 68.74 -71.89 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.603 1.561 . . . . 99.99 111.948 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 162' ' ' GLY . . . . . 0.642 ' HA3' HG22 ' E' ' 137' ' ' THR . . . -153.99 14.5 0.58 Allowed Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.959 -0.564 . . . . 99.99 112.081 175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.37 111.52 21.84 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.037 -1.097 . . . . 99.99 108.037 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.44 -43.62 0.5 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.82 1.648 . . . . 99.99 111.882 -173.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 44.7 p -77.58 74.0 4.14 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.157 0.983 . . . . 99.99 110.446 173.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -126.52 165.13 19.84 Favored Glycine 0 C--N 1.339 0.74 0 CA-C-N 114.696 -1.138 . . . . 99.99 110.308 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 58.54 20.43 7.57 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.9 0.88 . . . . 99.99 111.793 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.48 10.42 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.271 1.028 . . . . 99.99 111.514 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 39.1 p -52.96 -53.72 45.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.4 1.48 . . . . 99.99 111.403 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 23.1 p -131.57 22.07 4.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.287 1.035 . . . . 99.99 110.329 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.27 -31.53 72.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.053 0.541 . . . . 99.99 111.874 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . 0.261 13.1 pt-20 53.57 -66.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.314 2.246 . . . . 99.99 114.855 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.69 78.59 9.28 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.413 -0.804 . . . . 99.99 109.93 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.94 87.63 3.49 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.943 -1.502 . . . . 99.99 106.943 166.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.5 -75.9 0.06 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.561 0.744 . . . . 99.99 111.028 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -165.79 67.33 0.12 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.064 -0.717 . . . . 99.99 109.064 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 24.6 m 56.88 78.27 0.38 Allowed Pre-proline 0 CA--C 1.562 1.441 0 CA-C-N 114.788 -1.096 . . . . 99.99 110.205 -174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -69.38 160.89 48.06 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.079 2.519 . . . . 99.99 113.832 -169.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.26 -168.87 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.138 0.975 . . . . 99.99 111.103 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 74.57 175.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.063 1.345 . . . . 99.99 111.458 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 181' ' ' LEU . . . . . 0.445 ' HG ' HG22 ' E' ' 185' ' ' VAL . 31.2 tp -90.32 134.65 34.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.74 166.74 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.085 0.954 . . . . 99.99 109.808 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.17 76.18 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.165 1.386 . . . . 99.99 111.513 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 71.43 -54.92 0.67 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 126.66 1.984 . . . . 99.99 113.067 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 185' ' ' VAL . . . . . 0.759 HG11 ' HB3' ' E' ' 189' ' ' LYS . 96.5 t 80.39 -54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.524 1.93 . . . . 99.99 111.581 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.8 m 81.78 -29.15 0.11 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.835 1.654 . . . . 99.99 112.307 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 187' ' ' SER . . . . . 0.413 ' H ' HG12 ' E' ' 185' ' ' VAL . 40.6 t -135.45 115.72 13.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.721 0.409 . . . . 99.99 111.985 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 66.86 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.35 1.46 . . . . 99.99 112.914 165.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 189' ' ' LYS . . . . . 0.759 ' HB3' HG11 ' E' ' 185' ' ' VAL . 16.5 pttp 63.12 -55.09 0.18 Allowed 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 127.76 2.424 . . . . 99.99 114.058 -174.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.38 71.18 10.7 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.024 0.93 . . . . 99.99 110.582 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.1 t80 64.78 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.856 1.262 . . . . 99.99 110.95 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 164.04 76.74 0.03 OUTLIER Glycine 0 C--N 1.341 0.835 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.25 -45.92 0.4 Allowed 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.784 2.322 . . . . 99.99 111.821 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 11.7 t 62.57 178.9 0.14 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.832 1.253 . . . . 99.99 110.978 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 72.06 -64.86 0.37 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.47 1.508 . . . . 99.99 111.678 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 75.1 p 55.59 72.65 0.47 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.777 1.631 . . . . 99.99 111.464 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.6 m -84.05 175.63 9.38 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 114.841 -1.072 . . . . 99.99 111.606 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.44 -4.09 52.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.818 -0.628 . . . . 99.99 110.663 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 75.44 -73.3 0.09 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 125.701 1.601 . . . . 99.99 110.897 172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 7.9 p -156.97 80.99 3.4 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.041 -1.096 . . . . 99.99 108.041 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.81 86.1 0.47 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.864 2.376 . . . . 99.99 112.494 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -73.17 75.96 0.92 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.714 -0.675 . . . . 99.99 112.223 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -125.47 175.14 7.72 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.106 . . . . 99.99 108.979 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.48 86.44 1.55 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.237 0.615 . . . . 99.99 109.834 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -70.61 168.67 15.91 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.931 0.892 . . . . 99.99 112.472 -174.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -127.27 162.09 27.04 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.553 1.141 . . . . 99.99 108.428 168.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -65.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.94 -137.84 50.09 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.012 0.82 . . . . 99.99 112.671 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 68.6 -88.32 0.21 Allowed Glycine 0 C--N 1.349 1.285 0 C-N-CA 123.896 0.76 . . . . 99.99 112.303 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -79.41 77.52 5.96 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.213 1.006 . . . . 99.99 110.575 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -157.49 125.93 1.65 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.959 -1.256 . . . . 99.99 109.959 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.0 m 60.62 31.86 20.26 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.173 0.989 . . . . 99.99 110.427 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.32 -25.62 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.2 0.6 . . . . 99.99 112.044 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 24.9 p -71.59 -35.46 70.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.239 0.616 . . . . 99.99 110.211 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.36 -47.05 58.76 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.405 0.682 . . . . 99.99 111.108 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.99 -20.11 65.0 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.436 -0.209 . . . . 99.99 110.436 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 68.4 tp 71.0 -78.91 0.04 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.428 1.491 . . . . 99.99 109.862 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 63.8 tp 179.63 90.67 0.02 OUTLIER 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.446 -2.057 . . . . 99.99 105.446 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -61.67 -59.26 5.45 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.563 0.54 . . . . 99.99 110.722 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.86 -77.23 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.857 1.348 . . . . 99.99 112.831 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 86.9 77.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.624 1.97 . . . . 99.99 109.03 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 56.87 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.774 1.63 . . . . 99.99 112.028 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.69 -53.86 2.65 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.691 0.796 . . . . 99.99 110.734 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' E' ' 231' ' ' LYS . 25.6 m -73.06 -164.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.318 0.647 . . . . 99.99 111.962 -174.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 58.5 m -118.05 114.05 22.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.316 1.046 . . . . 99.99 109.142 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 9.0 mp 71.6 -63.28 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.969 1.708 . . . . 99.99 112.444 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -178.21 173.84 46.24 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.33 -0.308 . . . . 99.99 112.33 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 66.63 -153.21 52.49 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 122.777 0.227 . . . . 99.99 112.662 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -93.73 33.2 5.32 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-O 119.902 -0.388 . . . . 99.99 112.317 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -75.63 78.71 2.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.607 0.763 . . . . 99.99 110.364 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' E' ' 224' ' ' VAL . 30.8 tttm -171.5 -149.36 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 106.729 -1.582 . . . . 99.99 106.729 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 14.6 t 46.12 50.23 11.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.558 1.543 . . . . 99.99 112.372 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.4 t80 67.6 -73.05 0.08 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.548 1.539 . . . . 99.99 110.655 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.72 -67.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.999 1.72 . . . . 99.99 113.804 172.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -42.64 -37.71 1.79 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.478 1.911 . . . . 99.99 114.614 -173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.1 m 70.02 -76.09 0.07 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.622 1.201 . . . . 99.99 109.724 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -90.2 156.62 18.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.417 0.687 . . . . 99.99 109.975 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 28.8 p -79.57 -52.81 7.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.42 0.688 . . . . 99.99 110.743 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -163.68 135.69 4.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.429 0.692 . . . . 99.99 109.838 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -103.73 14.28 53.32 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 112.337 -0.305 . . . . 99.99 112.337 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 241' ' ' GLU . . . . . 0.676 ' HB3' HE22 ' E' ' 243' ' ' GLN . 14.5 mp0 -99.98 -85.54 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.971 0.908 . . . . 99.99 109.73 -175.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 15.9 m0 47.52 86.37 0.02 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.201 1.4 . . . . 99.99 113.069 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.676 HE22 ' HB3' ' E' ' 241' ' ' GLU . 24.8 mp0 -83.74 48.1 1.39 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.052 0.941 . . . . 99.99 110.591 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 75.06 -154.65 46.77 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.226 -0.443 . . . . 99.99 112.432 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -108.34 -60.62 1.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.79 0.836 . . . . 99.99 110.293 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.522 HG23 HD12 ' E' ' 247' ' ' LEU . 7.8 t -169.86 -28.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.882 0.473 . . . . 99.99 111.895 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.522 HD12 HG23 ' E' ' 246' ' ' THR . 8.1 mp -64.69 -18.23 64.8 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.633 0.773 . . . . 99.99 112.065 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -68.2 -34.17 75.77 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.254 1.021 . . . . 99.99 111.683 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.38 -21.65 65.6 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.428 0.691 . . . . 99.99 111.004 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -61.31 -16.01 41.52 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.331 1.052 . . . . 99.99 112.078 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -54.04 -13.87 0.91 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.136 1.374 . . . . 99.99 114.398 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.51 -25.34 25.0 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.804 0.841 . . . . 99.99 112.367 170.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.05 71.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.219 1.007 . . . . 99.99 111.538 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 71.3 -77.39 0.06 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.751 1.62 . . . . 99.99 110.609 173.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 75.9 -175.93 51.62 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.651 -0.527 . . . . 99.99 113.047 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 71.2 t80 68.35 -12.19 0.35 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.568 1.147 . . . . 99.99 113.774 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -74.34 158.11 34.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.911 1.284 . . . . 99.99 109.88 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 45.8 tp 74.24 166.03 0.29 Allowed 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.635 1.174 . . . . 99.99 110.525 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 58.2 t 80.41 -55.97 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 126.679 1.992 . . . . 99.99 110.194 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 97.61 7.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.273 0.629 . . . . 99.99 109.349 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.06 86.37 3.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 122.117 0.961 . . . . 99.99 110.335 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -83.21 -0.57 50.0 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.197 -0.91 . . . . 99.99 110.922 171.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -73.4 4.52 4.63 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.277 1.431 . . . . 99.99 114.19 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 24.8 m -42.5 -76.17 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.153 1.381 . . . . 99.99 113.317 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 10.1 mp 57.8 -71.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.701 1.6 . . . . 99.99 114.875 169.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -43.19 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.385 1.874 . . . . 99.99 112.921 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 24.9 m 65.71 -72.15 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.598 1.559 . . . . 99.99 111.831 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.288 10.5 p 51.38 -70.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 127.732 2.413 . . . . 99.99 114.066 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 43.0 p -135.98 76.99 1.64 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.801 0.84 . . . . 99.99 109.979 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' E' ' 273' ' ' GLN . 0.6 OUTLIER 67.17 126.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.938 1.295 . . . . 99.99 111.016 177.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -53.78 -42.59 68.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.453 1.101 . . . . 99.99 113.351 -174.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.602 ' HB3' ' HA2' ' E' ' 279' ' ' GLY . 24.5 m-80 -87.97 -46.93 8.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.903 0.481 . . . . 99.99 110.75 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' E' ' 270' ' ' GLU . 78.2 mt-30 -71.28 -15.22 62.41 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.577 0.751 . . . . 99.99 112.515 -175.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -66.91 -37.1 83.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.386 0.674 . . . . 99.99 110.121 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -82.08 145.48 53.02 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.293 1.037 . . . . 99.99 110.738 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.412 ' HB2' ' OH ' ' C' ' 56' ' ' TYR . 32.4 Cg_exo -57.69 -53.11 4.91 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 123.453 2.768 . . . . 99.99 113.604 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 63.7 tp -141.84 89.03 2.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.311 0.644 . . . . 99.99 109.3 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 21.6 tp -167.09 132.0 2.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.844 0.858 . . . . 99.99 109.191 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 279' ' ' GLY . . . . . 0.602 ' HA2' ' HB3' ' E' ' 272' ' ' ASN . . . -156.72 55.57 0.39 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' C' ' 95' ' ' ALA . 31.9 tp -166.27 164.46 17.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.526 0.73 . . . . 99.99 109.114 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 78.2 -52.63 0.5 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.073 1.749 . . . . 99.99 111.395 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.36 70.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.567 0.747 . . . . 99.99 110.336 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.55 111.15 23.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.135 0.974 . . . . 99.99 108.392 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -85.42 94.13 1.89 Allowed Glycine 0 C--N 1.344 0.985 0 O-C-N 123.712 0.632 . . . . 99.99 112.134 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.26 -35.29 75.94 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.543 0.737 . . . . 99.99 110.801 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.479 ' HG3' ' HD1' ' C' ' 133' ' ' PHE . 1.3 pmm? -87.67 119.07 70.51 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.194 0.998 . . . . 99.99 110.059 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -74.88 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 121.844 1.696 . . . . 99.99 110.596 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.579 HG12 ' H ' ' E' ' 290' ' ' TRP . 66.9 t -63.42 -65.88 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.306 -0.861 . . . . 99.99 110.136 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 58.95 13.77 2.99 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.818 1.247 . . . . 99.99 113.485 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.579 ' H ' HG12 ' E' ' 288' ' ' VAL . 5.9 t-105 58.71 104.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.918 1.287 . . . . 99.99 110.888 -176.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -132.59 101.06 0.44 Allowed Glycine 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.22 25.4 0.34 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.954 2.436 . . . . 99.99 113.762 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -73.87 92.74 2.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.622 1.169 . . . . 99.99 110.178 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -74.13 102.67 4.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.124 -1.065 . . . . 99.99 108.124 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 70.3 p -61.38 179.83 0.2 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.417 1.087 . . . . 99.99 113.046 -172.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.7 83.45 0.16 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.909 1.284 . . . . 99.99 110.831 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -118.36 6.94 11.87 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.107 0.963 . . . . 99.99 109.91 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -146.69 -171.59 16.15 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.144 -0.48 . . . . 99.99 112.533 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.38 136.87 50.02 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.791 0.837 . . . . 99.99 110.769 -176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 11.9 tt -117.68 88.06 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.326 0 C-N-CA 124.175 0.99 . . . . 99.99 108.53 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.12 157.95 41.13 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 115.674 -0.693 . . . . 99.99 111.98 -163.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -142.71 135.75 13.93 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.238 1.415 . . . . 99.99 109.422 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.55 164.99 27.79 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.923 2.415 . . . . 99.99 113.352 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -104.55 157.35 17.23 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.032 0.933 . . . . 99.99 111.672 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 30.6 m -119.33 158.44 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.095 0.958 . . . . 99.99 109.426 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 28.1 m -81.08 132.95 35.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.27 0.628 . . . . 99.99 111.71 -172.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 41.7 t -86.76 92.23 8.89 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.945 0.898 . . . . 99.99 110.799 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 309' ' ' THR . . . . . 0.509 HG21 ' HA ' ' E' ' 87' ' ' ALA . 6.1 p -146.44 134.25 10.5 Favored Pre-proline 0 N--CA 1.485 1.313 0 C-N-CA 123.448 0.699 . . . . 99.99 111.219 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 310' ' ' PRO . . . . . 0.419 ' O ' HG21 ' E' ' 68' ' ' ILE . 79.1 Cg_endo -76.76 -26.43 8.22 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.804 2.336 . . . . 99.99 112.901 174.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 63.3 165.46 0.11 Allowed Pre-proline 0 N--CA 1.497 1.879 0 C-N-CA 124.167 0.987 . . . . 99.99 112.779 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.45 110.56 0.47 Allowed 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 122.633 2.222 . . . . 99.99 112.748 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.51 6.86 35.8 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.399 0.679 . . . . 99.99 110.745 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.421 ' H ' ' HB2' ' E' ' 77' ' ' ASP . 2.8 mtm105 66.11 -80.04 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.17 1.388 . . . . 99.99 110.277 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -172.41 -44.18 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.866 1.266 . . . . 99.99 109.995 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 62.55 173.56 0.14 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.216 1.406 . . . . 99.99 112.857 -171.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 36.2 t -144.54 166.58 24.74 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.791 1.636 . . . . 99.99 107.61 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.84 103.87 21.86 Favored Pre-proline 0 N--CA 1.481 1.104 0 N-CA-C 109.672 -0.492 . . . . 99.99 109.672 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -91.11 85.9 0.31 Allowed 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.858 2.372 . . . . 99.99 110.786 172.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m -77.24 77.32 3.78 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.613 -0.721 . . . . 99.99 111.055 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 14.0 tp 51.52 -93.11 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 125.954 1.701 . . . . 99.99 112.595 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 53.38 -77.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 126.158 1.783 . . . . 99.99 114.561 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -68.13 -27.05 66.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.602 1.161 . . . . 99.99 111.434 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.531 ' HB2' HG21 ' B' ' 55' ' ' VAL . 27.9 ttt -75.59 -37.17 60.05 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.677 0.391 . . . . 99.99 110.499 175.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 22.7 m -62.53 -29.85 70.87 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.819 -0.628 . . . . 99.99 110.42 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -80.27 117.55 21.15 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.923 -0.58 . . . . 99.99 109.443 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -83.48 82.04 8.46 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.081 0.943 . . . . 99.99 110.846 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' B' ' 52' ' ' ALA . . . -84.76 9.98 12.61 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 114.895 -1.048 . . . . 99.99 111.674 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 16.5 tt -64.54 -16.01 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 125.391 1.476 . . . . 99.99 112.812 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -29.26 69.66 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.457 0.703 . . . . 99.99 112.268 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.8 -52.23 39.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.483 0.713 . . . . 99.99 109.967 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 4.3 tt 56.23 90.36 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.918 1.386 . . . . 99.99 110.151 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 22.9 t -103.67 165.45 11.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.981 0.512 . . . . 99.99 109.973 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 66.07 95.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.928 1.291 . . . . 99.99 111.95 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -78.35 -35.87 46.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.733 0.813 . . . . 99.99 109.213 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.785 ' HG2' ' HA ' ' B' ' 47' ' ' ALA . 7.4 tp10 66.65 -78.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.956 1.703 . . . . 99.99 111.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.58 92.33 5.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.48 86.2 1.23 Allowed Glycine 0 C--N 1.343 0.943 0 N-CA-C 110.716 -0.954 . . . . 99.99 110.716 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 73.27 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.952 1.701 . . . . 99.99 111.357 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 65.31 -173.83 0.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.497 1.519 . . . . 99.99 111.957 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.0 pp -119.98 25.6 9.82 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.406 0.683 . . . . 99.99 111.066 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 71.23 168.66 0.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.987 1.315 . . . . 99.99 110.068 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.98 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 173.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 143.0 57.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.413 0.685 . . . . 99.99 110.522 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -83.95 47.96 3.95 Favored Glycine 0 C--N 1.35 1.334 0 C-N-CA 122.843 0.258 . . . . 99.99 112.488 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.49 97.66 6.51 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.783 0.833 . . . . 99.99 109.784 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 43.8 t -158.13 99.19 1.64 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.557 -0.905 . . . . 99.99 108.557 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.07 108.1 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 123.042 0.537 . . . . 99.99 109.942 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.23 103.28 5.33 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.118 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 58.55 -69.64 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.847 2.059 . . . . 99.99 114.46 167.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 78.81 134.34 0.06 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.288 1.835 . . . . 99.99 109.907 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.8 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.237 1.415 . . . . 99.99 113.513 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.96 -18.81 25.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.301 1.44 . . . . 99.99 113.91 -169.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.24 -69.21 0.25 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.617 0.767 . . . . 99.99 111.092 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -173.76 21.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.291 0.636 . . . . 99.99 111.004 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 38.06 65.61 2.78 Favored Pre-proline 0 N--CA 1.501 2.108 0 C-N-CA 124.659 1.183 . . . . 99.99 111.717 -167.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.74 94.79 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.091 2.527 . . . . 99.99 113.652 -167.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.5 t -164.52 -88.07 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.059 0.944 . . . . 99.99 108.934 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 61.65 -96.48 0.12 Allowed Glycine 0 C--N 1.358 1.804 0 C-N-CA 123.493 0.568 . . . . 99.99 113.969 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -155.29 141.69 18.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.066 0.947 . . . . 99.99 108.844 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 2.6 mp -81.0 -43.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 109.024 -0.732 . . . . 99.99 109.024 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 131.4 99.77 0.81 Allowed Glycine 0 C--N 1.343 0.959 0 N-CA-C 110.993 -0.843 . . . . 99.99 110.993 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -76.75 81.18 3.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.461 0.705 . . . . 99.99 109.567 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 35.9 m -130.82 115.89 17.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.061 0.945 . . . . 99.99 108.688 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.9 m -72.4 161.51 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.306 0.643 . . . . 99.99 110.564 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.85 112.78 15.08 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.053 0.541 . . . . 99.99 110.246 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 367' ' ' LEU . . . . . 0.693 ' H ' HD13 ' E' ' 367' ' ' LEU . 0.0 OUTLIER -63.6 -6.2 4.98 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.228 1.011 . . . . 99.99 112.049 172.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.63 -35.54 70.62 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.931 1.293 . . . . 99.99 112.006 171.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.33 -33.0 74.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.332 0.653 . . . . 99.99 111.058 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.17 -16.71 64.1 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.553 0.741 . . . . 99.99 112.456 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.29 -22.49 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.474 0 C-N-CA 123.499 0.72 . . . . 99.99 111.33 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -59.61 -18.72 43.75 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.414 1.086 . . . . 99.99 112.436 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -23.5 65.41 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 112.018 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.3 63.45 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.582 0.753 . . . . 99.99 112.422 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.4 -20.87 63.55 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.43 1.092 . . . . 99.99 110.694 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.45 -21.82 62.74 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.734 0.814 . . . . 99.99 112.333 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.31 -25.22 67.75 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.506 0.722 . . . . 99.99 111.484 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.82 -10.21 55.56 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.748 0.819 . . . . 99.99 112.487 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -72.39 -20.17 61.49 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.8 1.24 . . . . 99.99 110.517 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -52.02 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.171 1.388 . . . . 99.99 111.938 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 72.89 -49.54 0.7 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.316 1.847 . . . . 99.99 113.719 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 68.02 -91.45 0.23 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -169.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 69.01 -65.26 0.3 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.359 1.463 . . . . 99.99 113.509 170.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 53.5 p 64.94 83.11 0.17 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.152 1.781 . . . . 99.99 111.084 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 59.9 tp -137.74 103.05 4.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.973 1.309 . . . . 99.99 108.169 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.81 120.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.403 -0.592 . . . . 99.99 109.403 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.27 127.37 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 125.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 C-N-CA 123.568 0.747 . . . . 99.99 111.586 -173.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.9 t -142.06 146.14 35.13 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.998 0.919 . . . . 99.99 109.182 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.72 89.45 2.28 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -166.23 151.01 8.05 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.026 0.93 . . . . 99.99 109.043 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -103.92 -3.88 24.18 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.18 0.592 . . . . 99.99 112.13 -171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -69.01 128.47 36.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.647 0.379 . . . . 99.99 110.646 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -73.32 -19.57 61.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.562 0.745 . . . . 99.99 110.787 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 395' ' ' ALA . . . . . 0.466 ' O ' HG22 ' E' ' 398' ' ' ILE . . . -141.03 155.07 46.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.27 1.028 . . . . 99.99 108.7 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 26.6 m -77.09 -0.01 23.17 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 111.993 0.368 . . . . 99.99 111.993 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.402 ' NE2' ' HB1' ' E' ' 395' ' ' ALA . 5.4 pm0 -136.6 10.98 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.676 0.79 . . . . 99.99 112.222 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 398' ' ' ILE . . . . . 0.474 HG13 HG23 ' E' ' 399' ' ' VAL . 9.1 tp -78.38 126.75 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.66 -0.496 . . . . 99.99 109.66 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.474 HG23 HG13 ' E' ' 398' ' ' ILE . 90.4 t 65.26 -72.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.392 1.477 . . . . 99.99 112.05 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -51.97 129.67 38.88 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.543 1.137 . . . . 99.99 111.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.74 123.65 11.31 Favored 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 122.335 2.023 . . . . 99.99 112.994 -166.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 36.9 t0 170.53 111.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.071 1.748 . . . . 99.99 106.414 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 t -88.49 68.18 8.72 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 122.106 0.955 . . . . 99.99 110.91 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.84 -31.88 68.74 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.621 -0.718 . . . . 99.99 110.982 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.95 23.45 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.86 0.864 . . . . 99.99 109.773 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.85 122.51 9.65 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.847 2.365 . . . . 99.99 111.51 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -150.72 -113.92 0.63 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 119.174 -0.792 . . . . 99.99 111.883 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 7.2 mp 59.57 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.301 1.44 . . . . 99.99 111.441 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 70.5 p -88.76 -44.04 10.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.202 0.601 . . . . 99.99 109.635 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 60.6 19.92 9.82 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.907 1.283 . . . . 99.99 111.613 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -158.02 143.15 16.67 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.764 0.826 . . . . 99.99 109.445 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 94.7 mt -114.48 110.05 19.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.836 0.854 . . . . 99.99 108.908 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 75.11 -64.93 0.36 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.175 1.39 . . . . 99.99 112.623 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.1 m 74.25 -69.59 0.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.616 1.566 . . . . 99.99 112.479 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -65.37 -25.83 67.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.919 0.888 . . . . 99.99 110.749 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -126.31 4.88 7.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.954 0.901 . . . . 99.99 111.974 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.28 69.12 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.882 -1.287 . . . . 99.99 109.882 167.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.31 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.545 1.538 . . . . 99.99 113.762 164.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 11.3 t 62.28 21.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 C-N-CA 124.765 1.226 . . . . 99.99 110.59 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.41 109.03 4.54 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.681 -0.637 . . . . 99.99 109.453 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.91 158.02 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 99.99 109.94 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 56.5 ttp 76.34 -71.18 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.258 1.423 . . . . 99.99 111.746 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 36.8 p -91.54 18.8 6.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 112.951 0.723 . . . . 99.99 112.951 -170.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.49 -49.43 14.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.0 0.52 . . . . 99.99 109.825 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 127.28 -61.38 0.64 Allowed Glycine 0 C--N 1.343 0.968 0 CA-C-N 116.081 -0.509 . . . . 99.99 112.144 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 75.75 -56.41 0.6 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.492 1.517 . . . . 99.99 110.639 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.5 m -154.04 -166.13 2.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.877 1.271 . . . . 99.99 108.245 163.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 428' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' E' ' 433' ' ' GLU . 37.6 mm-40 -55.99 -100.1 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.919 0.888 . . . . 99.99 110.927 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.87 -66.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.149 -0.969 . . . . 99.99 109.364 165.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.11 -80.4 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 CA-C-N 118.119 0.418 . . . . 99.99 110.562 164.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 49.9 m -113.89 -62.42 1.6 Allowed 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.046 1.403 . . . . 99.99 114.391 172.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -91.62 -1.91 57.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 112.603 -2.089 . . . . 99.99 114.589 -143.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' E' ' 428' ' ' GLU . 10.8 mp0 -76.48 11.52 1.58 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.864 0.69 . . . . 99.99 112.864 -164.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -47.33 116.37 1.39 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.401 1.08 . . . . 99.99 109.254 159.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 25.7 m 72.47 -73.22 0.1 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.056 1.342 . . . . 99.99 111.635 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 90.87 -50.36 3.14 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.93 0.3 . . . . 99.99 112.355 -177.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 47.7 m 61.11 75.84 0.39 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.496 1.519 . . . . 99.99 110.836 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -93.41 10.55 31.79 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.646 -0.706 . . . . 99.99 110.602 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 79.9 mt 61.64 -143.21 0.45 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.252 1.021 . . . . 99.99 109.632 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 72.68 108.08 0.07 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.864 1.266 . . . . 99.99 111.748 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.5 mt 70.13 -69.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 125.676 1.591 . . . . 99.99 109.968 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -77.26 -177.66 4.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.394 1.078 . . . . 99.99 111.034 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 65.31 30.16 11.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.524 1.13 . . . . 99.99 111.786 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 35.3 t80 72.9 123.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.604 1.562 . . . . 99.99 110.871 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -99.63 -163.95 29.24 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.558 -0.579 . . . . 99.99 112.763 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.68 169.94 14.94 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.118 2.545 . . . . 99.99 113.093 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -95.04 3.6 54.69 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.721 0.808 . . . . 99.99 111.456 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 68.56 -79.62 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.467 1.507 . . . . 99.99 111.543 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 69.87 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.324 1.449 . . . . 99.99 112.549 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -138.82 -64.13 0.52 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.43 1.092 . . . . 99.99 110.547 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 6.2 p -158.71 126.45 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 123.529 0.732 . . . . 99.99 111.256 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 58.3 t -88.39 155.93 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 123.856 0.862 . . . . 99.99 110.014 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -143.18 -8.59 0.53 Allowed Glycine 0 C--N 1.349 1.29 0 C-N-CA 123.632 0.634 . . . . 99.99 112.343 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 65.6 tp -74.91 85.14 2.23 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 123.358 0.663 . . . . 99.99 110.461 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 p -108.15 74.17 0.92 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.926 0.89 . . . . 99.99 108.6 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.77 36.25 26.3 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.858 -1.519 . . . . 99.99 111.387 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.09 -85.22 0.03 OUTLIER 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.297 -0.631 . . . . 99.99 109.297 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 74.1 m 47.99 75.24 0.14 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.062 0.945 . . . . 99.99 111.867 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.11 168.74 18.46 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.544 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 45' ' ' ASP . 56.7 tp -159.6 128.04 5.02 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.255 0.622 . . . . 99.99 109.679 172.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.42 ' CD2' HD12 ' A' ' 136' ' ' LEU . 26.5 m-85 -85.29 170.78 12.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.209 -0.905 . . . . 99.99 111.069 171.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 44' ' ' LEU . 2.3 p90 -144.97 89.49 1.97 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 463' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 132' ' ' ASN . 2.6 m -130.01 157.73 41.55 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.808 -1.087 . . . . 99.99 109.654 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.6 107.88 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.573 1.149 . . . . 99.99 109.795 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' E' ' 465' ' ' LYS . 0.3 OUTLIER -83.13 45.13 0.99 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.533 0.682 . . . . 99.99 110.008 -178.267 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 466' ' ' ALA . . . . . 0.661 ' HB1' HG12 ' A' ' 40' ' ' VAL . . . 50.27 -90.54 0.02 OUTLIER 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.006 1.722 . . . . 99.99 111.593 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 467' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' E' ' 471' ' ' LYS . . . 62.94 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.177 1.391 . . . . 99.99 111.511 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.2 -68.8 0.21 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.55 1.54 . . . . 99.99 109.621 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -178.56 -32.95 0.05 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.004 -0.838 . . . . 99.99 111.004 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.21 -28.31 68.66 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.885 0.874 . . . . 99.99 111.883 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.514 ' HB2' ' H ' ' A' ' 40' ' ' VAL . 32.1 ttpt . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.249 -1.019 . . . . 99.99 108.249 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.855 -0.424 . . . . 99.99 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -151.63 -178.61 6.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.292 1.037 . . . . 99.99 109.222 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.96 -20.4 57.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.002 0.521 . . . . 99.99 111.181 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -121.45 175.19 6.31 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.247 1.019 . . . . 99.99 108.551 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.65 ' HB2' HG21 ' A' ' 10' ' ' THR . 10.4 m120 -50.03 -50.99 45.7 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.881 1.272 . . . . 99.99 112.496 -175.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 87' ' ' ALA . 4.9 t30 57.2 81.54 0.14 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.565 1.146 . . . . 99.99 111.894 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -137.39 -86.53 0.3 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 122.868 0.467 . . . . 99.99 110.876 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.89 -48.22 3.81 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.715 0.806 . . . . 99.99 109.368 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.83 134.41 18.68 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.65 HG21 ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -163.67 122.49 1.99 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.303 1.041 . . . . 99.99 108.647 175.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 85' ' ' SER . 1.2 t80 -137.64 137.01 38.02 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -140.83 130.49 24.16 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' HD12 ' A' ' 83' ' ' ILE . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 87.02 109.42 -168.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 27.8 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.63 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 12.57 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 37.56 110.001 171.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 5.43 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 6.92 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 5.61 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 12.68 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 32.78 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.792 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.678 ' HD2' HD22 ' E' ' 470' ' ' LEU . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 57.34 112.639 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' E' ' 468' ' ' LEU . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 48.36 109.319 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HA ' ' HB1' ' E' ' 467' ' ' ALA . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.627 HD22 HD21 ' E' ' 468' ' ' LEU . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 97.85 110.095 -176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 133' ' ' PHE . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 43.33 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 41.53 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 88.8 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 73.87 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 86' ' ' ILE . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.71 ' HB2' HD11 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.04 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 54.22 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 29.36 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 19.86 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 13.6 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 17.22 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.714 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 14.92 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 21.43 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 23.61 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 57.75 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 93.1 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 30.12 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 22.88 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 30.01 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 14.44 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.714 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 9.47 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 20.02 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HD3' ' A' ' 15' ' ' ARG . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 66.87 108.421 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 73.7 p -91.21 120.3 32.01 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 8.5 tp -107.59 141.43 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.252 -1.018 . . . . 99.99 108.252 170.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 6' ' ' ASN . . . -152.8 136.4 16.03 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 122.359 0.264 . . . . 99.99 111.453 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.1 -33.62 3.99 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.581 -0.736 . . . . 99.99 114.049 172.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.0 mt -122.78 145.28 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.038 -1.097 . . . . 99.99 108.038 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.05 -163.03 1.31 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 123.192 0.597 . . . . 99.99 111.173 -173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.03 -158.1 51.79 Favored Glycine 0 C--N 1.352 1.441 0 C-N-CA 124.032 0.825 . . . . 99.99 113.323 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.5 p -62.68 -29.21 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.732 0.813 . . . . 99.99 111.527 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' H ' ' HG2' ' C' ' 150' ' ' GLU . 49.4 tt0 -57.23 -51.08 70.77 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.088 0.868 . . . . 99.99 110.481 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.542 ' SD ' HD11 ' E' ' 454' ' ' LEU . 15.0 mmt -82.43 -17.6 44.82 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.715 -0.675 . . . . 99.99 111.805 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.23 67.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.266 0.485 . . . . 99.99 110.833 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -63.93 -29.59 70.75 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.546 0.738 . . . . 99.99 111.042 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.663 ' SG ' HD22 ' E' ' 454' ' ' LEU . 43.7 t -68.83 -53.81 19.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.897 0.479 . . . . 99.99 109.951 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.21 -21.81 65.43 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.25 -0.886 . . . . 99.99 112.562 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 95.56 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 94.48 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 73.2 114.629 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 48.9 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 94.19 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 55.88 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 21.71 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 15.39 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 9.95 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 20.66 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 7.34 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 15.45 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 4.41 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 7.34 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 7.28 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 4.96 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 48.88 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 26.6 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 17.97 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 8.38 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.535 HG22 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 20.1 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 13.71 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 20.05 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 56.76 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.435 HD22 HD12 ' C' ' 16' ' ' ILE . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.536 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 62.97 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 56.46 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.65 ' HD3' ' HA3' ' E' ' 143' ' ' GLY . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 77.42 111.358 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 44' ' ' LEU . 3.8 p -137.82 120.74 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.54 ' H ' ' HB3' ' E' ' 460' ' ' LEU . 62.6 t30 -113.65 83.84 1.92 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.706 0.802 . . . . 99.99 111.239 171.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.667 ' H ' HD22 ' A' ' 44' ' ' LEU . 5.8 m-30 -74.61 -27.53 60.5 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.526 0.33 . . . . 99.99 111.107 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.592 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 33.4 t70 -69.62 -22.45 63.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.564 0.54 . . . . 99.99 112.146 -170.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' A' ' 132' ' ' ASN . . . -59.48 -32.49 70.31 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.821 0.448 . . . . 99.99 111.538 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.46 -34.63 60.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.447 1.099 . . . . 99.99 109.703 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.592 ' HD1' ' HA ' ' A' ' 134' ' ' ASP . 83.1 m-85 -76.26 -24.61 54.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.085 0.554 . . . . 99.99 111.449 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.498 ' HE2' HD21 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -77.15 -41.1 43.14 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.893 -0.781 . . . . 99.99 108.893 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -57.16 -38.73 74.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.835 -1.075 . . . . 99.99 110.058 171.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -66.22 -34.84 78.94 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.982 0.913 . . . . 99.99 113.123 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.498 HD21 ' HE2' ' A' ' 138' ' ' MET . 3.0 pp -56.48 -23.38 38.82 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.246 0.832 . . . . 99.99 113.246 -166.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 141' ' ' LEU . 9.3 tt0 -147.74 18.56 1.15 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.561 0.744 . . . . 99.99 110.302 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 38.21 70.18 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 125.386 1.475 . . . . 99.99 111.95 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.55 -17.53 53.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 114.794 -1.094 . . . . 99.99 111.882 -168.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -94.4 18.91 10.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.37 0.668 . . . . 99.99 110.262 167.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.13 28.13 70.14 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 123.786 0.707 . . . . 99.99 114.131 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 65.42 -75.05 0.05 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.27 1.428 . . . . 99.99 111.433 -173.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -96.44 61.41 1.24 Allowed Glycine 0 C--N 1.345 1.039 0 CA-C-O 119.564 -0.575 . . . . 99.99 113.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 62.7 m 73.63 -64.31 0.4 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.241 1.416 . . . . 99.99 112.608 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -110.48 -177.76 3.32 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.048 0.939 . . . . 99.99 109.511 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 74.38 124.57 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.183 1.393 . . . . 99.99 111.26 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -82.08 81.76 7.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.45 0.7 . . . . 99.99 110.101 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 70.92 -5.4 1.5 Allowed 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 124.474 1.109 . . . . 99.99 113.082 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.96 132.69 47.61 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 -171.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 123.344 0.657 . . . . 99.99 110.008 -178.335 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' E' ' 124' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 111.883 0.327 . . . . 99.99 111.883 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 68.38 -71.81 0.11 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.13 1.372 . . . . 99.99 110.41 -167.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -127.04 -173.12 2.81 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.746 1.218 . . . . 99.99 108.721 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -57.35 142.1 44.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.939 0.896 . . . . 99.99 111.087 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -135.94 -83.63 0.38 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.062 0.545 . . . . 99.99 110.498 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.85 136.08 43.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.3 0.64 . . . . 99.99 110.432 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 m 68.89 163.13 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.678 1.191 . . . . 99.99 111.335 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.41 -166.22 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 123.951 0.9 . . . . 99.99 111.562 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.683 ' SD ' HG23 ' B' ' 89' ' ' ILE . 14.9 tpt 68.13 169.87 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.26 1.024 . . . . 99.99 110.961 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.8 t -149.27 114.04 5.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.538 -0.912 . . . . 99.99 108.538 168.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -141.16 119.11 11.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.834 0.853 . . . . 93.55 109.737 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.551 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 40.88 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 85.25 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.535 HH21 HG22 ' A' ' 122' ' ' THR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 95.33 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 13.6 107.87 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 23.1 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.589 HG21 HD11 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 6.51 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 19.94 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.589 HD11 HG21 ' B' ' 18' ' ' THR . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 5.14 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 19.25 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 9.84 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 18.09 107.9 170.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 22.2 m120 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 49.39 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 27' ' ' ASN . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 98.87 110.897 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' E' ' 7' ' ' ALA . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 72.1 110.008 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.626 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' E' ' 7' ' ' ALA . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 96.73 111.092 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 67.27 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 66.97 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 35.64 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 74.75 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 43.74 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 89.61 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 85.91 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HD2' ' E' ' 350' ' ' LYS . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 76.71 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 98.07 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD11 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.517 HG11 HD22 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 57.34 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 21.57 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 62.33 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 95.32 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 14.84 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 28.15 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 18.14 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.626 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 24.35 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 26.44 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.538 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 56.64 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 62.67 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 81.37 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 33.32 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.538 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 25.99 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 18.76 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 16.93 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 12.76 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' B' ' 113' ' ' CYS . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 8.91 108.475 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 33.15 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 11.78 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 39.34 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 63.88 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 82.93 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 98.2 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.683 HG23 ' SD ' ' B' ' 9' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.587 ' HE1' ' HB2' ' B' ' 98' ' ' LEU . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.544 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.587 ' HB2' ' HE1' ' B' ' 94' ' ' MET . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 71.23 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 59.87 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 71.19 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.453 ' HB2' ' HB ' ' E' ' 67' ' ' ILE . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 50.37 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 36.29 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 87.59 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 37.19 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 13.07 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 10.37 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 12.29 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 8.75 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 59.14 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 117' ' ' MET . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 13.3 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.559 HG21 HG21 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 9.86 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 13.13 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.02 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 26.78 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 13.3 110.288 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 29.79 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.437 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 17' ' ' TYR . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 23.15 111.917 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 23.84 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 29.89 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 73.04 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 90.81 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 43.15 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.643 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 61.27 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.524 ' HA ' HG11 ' E' ' 306' ' ' VAL . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.57 110.115 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -72.0 113.66 9.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -66.98 -30.13 70.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.56 1.144 . . . . 99.99 111.135 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.4 ' HB3' ' HB1' ' B' ' 100' ' ' ALA . 3.4 p-10 -60.73 -46.24 91.18 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 99.99 111.034 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.63 86.13 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.375 -0.829 . . . . 99.99 111.037 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' E' ' 8' ' ' LEU . 1.3 tm? -51.86 -52.12 51.79 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.44 1.096 . . . . 99.99 111.211 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.407 ' HA ' HD21 ' E' ' 10' ' ' LEU . 3.4 t80 -70.3 -29.49 66.24 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.331 -0.395 . . . . 99.99 110.742 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -73.18 -34.57 66.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.635 0.774 . . . . 99.99 110.82 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -75.68 -1.25 23.89 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.221 0.609 . . . . 99.99 111.936 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -62.46 -33.13 74.22 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.048 0.451 . . . . 99.99 109.869 167.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.413 HD21 ' O ' ' E' ' 315' ' ' ASN . 66.7 mt -86.03 10.48 14.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.159 0.983 . . . . 99.99 111.749 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 70.81 116.34 0.04 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.328 1.451 . . . . 99.99 110.48 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.63 -14.14 60.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.489 0.716 . . . . 99.99 112.114 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -77.01 85.11 3.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.577 0.751 . . . . 99.99 110.039 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.51 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.338 1.055 . . . . 99.99 108.52 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.46 132.94 0.94 Allowed Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.574 -0.739 . . . . 99.99 114.247 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -171.44 -70.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -115.22 124.4 6.31 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 109.604 -1.399 . . . . 99.99 109.604 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 2.3 p -65.07 -69.49 0.29 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.546 0.738 . . . . 99.99 111.769 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -98.55 -0.67 42.78 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 119.296 -0.383 . . . . 99.99 110.571 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 66.83 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.236 1.014 . . . . 99.99 109.107 -166.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -178.04 -37.66 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.584 1.554 . . . . 99.99 108.348 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 81.98 80.21 0.03 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.391 1.876 . . . . 99.99 110.768 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 59.97 -155.93 0.35 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.548 1.155 . . . . 99.99 112.357 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 N-CA-C 107.8 -1.185 . . . . 99.99 107.8 169.684 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 110.469 -0.197 . . . . 99.99 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t 57.54 81.1 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.918 1.287 . . . . 99.99 109.99 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 72.01 134.94 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.252 1.421 . . . . 99.99 110.2 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -129.36 168.97 15.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.779 0.831 . . . . 99.99 110.024 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 t30 79.81 -46.01 0.32 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.492 1.517 . . . . 99.99 112.472 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 66.0 -174.95 0.18 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.843 1.257 . . . . 99.99 111.882 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 63.7 p 61.07 -68.22 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.006 1.722 . . . . 99.99 111.401 -172.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 67.22 -174.09 0.19 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.816 1.247 . . . . 99.99 111.945 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 4.6 mpp? 64.86 112.89 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.611 1.564 . . . . 99.99 111.712 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 83.9 m -88.47 99.69 12.48 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.583 -0.525 . . . . 99.99 109.583 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 -114.24 135.29 54.22 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 165.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.561 HG12 ' H ' ' E' ' 140' ' ' GLY . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 56.3 108.731 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 93.16 111.977 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.449 ' HA ' ' CG1' ' E' ' 144' ' ' VAL . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ILE . . . . . 0.435 HD12 HD22 ' A' ' 127' ' ' ASN . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 11.74 109.331 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.469 HG21 ' SG ' ' C' ' 113' ' ' CYS . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 6.91 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 21.95 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 5.12 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 9.28 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 8.82 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 12.04 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 30.41 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 48.75 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.466 HG23 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 55.24 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.772 ' HZ2' ' HB2' ' C' ' 34' ' ' LYS . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 88.6 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.635 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 68.93 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' E' ' 294' ' ' LYS . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 87.15 109.71 176.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.644 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 94.05 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.616 HD21 HD11 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 71.87 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 62.96 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 35.73 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 56.22 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 43.42 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.448 HE22 ' HA ' ' E' ' 262' ' ' ALA . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 94.06 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 81.86 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.535 ' HE2' ' HB2' ' C' ' 87' ' ' ALA . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.637 ' HB2' HD11 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 29.6 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 20.9 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.616 HD11 HD21 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 69.19 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 14.53 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.42 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 17.7 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.644 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 29.53 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 32.22 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 59.66 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 97.29 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 76.35 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 37.0 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 34.06 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 39.96 110.586 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 16.54 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' C' ' 113' ' ' CYS . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 9.25 109.827 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.7 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 25.23 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 61.4 tp60 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 10.6 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 30.38 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.616 HD12 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt -142.34 98.33 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.535 ' HB2' ' HE2' ' C' ' 56' ' ' TYR . . . -126.08 16.79 7.87 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.252 0.621 . . . . 99.99 109.862 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.58 99.81 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.978 -1.01 . . . . 99.99 114.745 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.622 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 35.3 mm 60.38 78.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.285 1.034 . . . . 99.99 109.692 -173.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.563 ' H ' ' HB2' ' C' ' 94' ' ' MET . 19.7 mt-10 -94.62 0.74 55.38 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.99 -1.005 . . . . 99.99 110.579 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.9 -120.67 6.88 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 116.062 -0.517 . . . . 99.99 112.575 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 56.0 p -73.53 -16.76 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.536 0.734 . . . . 99.99 111.522 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.53 -37.52 56.55 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.302 -0.629 . . . . 99.99 109.302 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.0 ttt -69.71 -21.44 63.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.671 -0.695 . . . . 99.99 110.3 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.85 98.27 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.457 -0.338 . . . . 99.99 110.338 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.518 ' O ' ' HB3' ' C' ' 100' ' ' ALA . 62.6 m170 -69.91 -28.52 65.68 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.686 -0.688 . . . . 99.99 111.237 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.616 ' SG ' HD12 ' C' ' 86' ' ' ILE . 52.4 t -81.98 -61.31 1.95 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.543 0.737 . . . . 99.99 111.676 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' E' ' 280' ' ' LEU . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 68.51 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.843 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 56.52 110.306 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 56.59 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 39.21 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.587 HG13 ' HA ' ' E' ' 142' ' ' LEU . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 8.71 111.862 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 37.06 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 16.74 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 9.85 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 5.88 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 7.64 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 20.64 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.437 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' C' ' 18' ' ' THR . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 13.9 112.862 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.459 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 8.58 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 8.54 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 6.56 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.472 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 5.22 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 28.53 109.891 173.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 17.6 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 15.17 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.436 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 24.81 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.452 ' HG2' ' HD1' ' E' ' 297' ' ' TYR . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 29.42 110.935 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' E' ' 296' ' ' THR . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 59.85 107.327 168.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 41.85 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 38.57 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 24.62 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 24.48 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 131' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' E' ' 288' ' ' VAL . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 68.05 109.128 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -84.08 -11.95 55.86 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.843 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 7.1 p-10 -65.81 -44.56 85.32 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.075 0.464 . . . . 99.99 111.429 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.11 61.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.87 -1.059 . . . . 99.99 110.951 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.847 ' HA ' ' HA3' ' E' ' 453' ' ' GLY . 8.2 tt -60.78 -45.07 95.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.101 0.961 . . . . 99.99 110.302 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -80.97 -25.39 37.37 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.326 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.09 -44.04 73.29 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.298 0.639 . . . . 99.99 109.956 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.2 -36.21 77.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.672 1.589 . . . . 99.99 110.905 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -70.67 -158.31 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 109.229 -0.656 . . . . 99.99 109.229 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 51.2 tp 61.27 -63.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.08 0.952 . . . . 99.99 111.003 -165.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -53.52 -68.31 0.19 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.058 1.343 . . . . 99.99 110.489 168.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 73.7 -37.56 0.38 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.188 1.395 . . . . 99.99 113.072 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -72.09 -179.18 2.69 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.067 0.947 . . . . 99.99 111.162 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.86 178.39 0.25 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.69 1.196 . . . . 99.99 110.8 -170.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.09 -53.88 0.65 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.614 -0.994 . . . . 99.99 110.614 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.33 96.54 7.34 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.0 69.95 0.19 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 109.96 -1.256 . . . . 99.99 109.96 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 27.4 m -63.13 93.06 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.896 0.878 . . . . 99.99 111.195 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 150' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 93' ' ' GLN . 32.5 mt-10 58.26 -87.0 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.172 1.389 . . . . 99.99 112.365 171.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 39.64 -160.87 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 0 C-N-CA 126.652 1.981 . . . . 99.99 113.33 -173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 43.9 m80 64.9 -77.8 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.291 1.436 . . . . 99.99 110.966 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -63.24 -58.72 6.25 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.8 t70 52.44 -81.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.925 1.69 . . . . 99.99 112.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.201 1.0 . . . . 99.99 109.045 -179.471 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.944 -0.391 . . . . 99.99 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -72.54 -62.07 1.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.931 0.492 . . . . 99.99 110.646 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 67.27 -77.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.342 1.457 . . . . 99.99 110.858 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -114.54 -23.76 9.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 99.99 109.651 171.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t30 71.7 132.06 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.773 1.629 . . . . 99.99 109.816 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.47 82.8 0.09 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.787 0.803 . . . . 99.99 111.155 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -169.57 74.89 0.09 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 104.49 -2.411 . . . . 99.99 104.49 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -82.42 59.0 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.321 0.648 . . . . 99.99 110.275 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 11.9 tpt -33.13 128.71 0.27 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.955 1.702 . . . . 99.99 112.683 169.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m -122.04 118.68 29.34 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' D' ' 85' ' ' SER . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 76.43 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.493 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.437 HD13 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 79.46 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 53.22 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.665 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 19.87 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 8.43 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 36.9 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 4.02 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 7.64 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 5.08 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 7.19 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' PRO . . . . . 0.603 ' HB3' ' HB2' ' E' ' 431' ' ' SER . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 13.41 112.543 -170.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 12.01 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 20.55 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 22.26 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 34.6 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.436 ' HB3' ' HZ2' ' E' ' 131' ' ' TRP . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 31.63 109.663 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 49.29 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 31.29 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 52.79 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.474 HD11 HG13 ' D' ' 62' ' ' VAL . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 74.77 109.555 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 66.01 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.455 ' HA ' ' O ' ' E' ' 112' ' ' ASN . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 77.52 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 38.8 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 48.36 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 52.73 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.71 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 82.32 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 96.95 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.523 ' HA ' HD11 ' E' ' 100' ' ' LEU . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 82.8 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 57' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 44.56 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.476 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 19.48 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 52.2 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.474 HG13 HD11 ' D' ' 42' ' ' LEU . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 9.25 107.424 167.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 10.79 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 9.72 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 19.36 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 11.33 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.573 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 29.87 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 24.97 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 27.84 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 11.35 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.573 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 10.67 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 7.73 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 11.05 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 5.05 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 21.68 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 63.6 tp60 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.29 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 43.57 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.526 ' HA ' HG22 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 77.58 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.45 HD13 ' N ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 88.57 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 90' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 91' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.421 ' SD ' HG23 ' E' ' 97' ' ' ILE . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 88.9 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 95.17 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 66.02 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 100' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 54.11 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 40.76 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' D' ' 11' ' ' PHE . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 34.31 114.1 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 28.69 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 61.29 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.437 HG21 HD13 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 19.65 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 13.09 111.746 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 10.47 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 6.22 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 10.48 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 4.16 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 10.22 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.39 111.262 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.429 ' O ' HG23 ' D' ' 118' ' ' VAL . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 5.37 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 7.06 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 6.71 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 5.08 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 5.65 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 10.21 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 6.99 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 18.26 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 20.06 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.525 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 16.85 111.458 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 14.84 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.483 HD21 ' HA ' ' E' ' 127' ' ' SER . 25.6 m-80 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 76.73 109.587 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 20.32 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' E' ' 125' ' ' ALA . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 28.37 110.692 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 32.68 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 69.78 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 -58.63 4.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.95 -25.07 61.73 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.992 0.917 . . . . 99.99 112.939 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 111' ' ' LEU . 2.6 tt -70.79 -50.24 37.87 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.16 0.505 . . . . 99.99 109.962 -174.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -77.63 -34.03 53.39 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.217 -0.901 . . . . 99.99 110.236 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 38.2 ttm -55.28 -50.6 69.11 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.43 1.092 . . . . 99.99 111.414 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -53.81 -35.32 61.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.789 1.236 . . . . 99.99 112.636 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -89.11 -40.17 13.11 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.75 -0.659 . . . . 99.99 111.22 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.91 -32.93 74.31 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.899 0.88 . . . . 99.99 111.715 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -80.73 9.03 6.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.966 0.906 . . . . 99.99 111.922 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.08 48.59 2.39 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.549 -1.278 . . . . 99.99 107.549 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -170.72 94.12 0.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.864 -1.162 . . . . 99.99 107.864 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.43 113.79 7.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.156 0.582 . . . . 99.99 110.404 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.44 26.8 0.78 Allowed Glycine 0 N--CA 1.473 1.122 0 N-CA-C 111.247 -0.741 . . . . 99.99 111.247 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.59 138.13 33.51 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.429 0.692 . . . . 99.99 110.35 -173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 67.84 9.05 55.43 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.732 0.645 . . . . 99.99 114.394 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 149' ' ' THR . . . . . 0.414 HG22 ' HB1' ' D' ' 155' ' ' ALA . 68.9 p -83.17 101.74 11.4 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -161.02 74.72 0.5 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.963 0.505 . . . . 99.99 110.808 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 56.04 18.84 3.35 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.354 1.061 . . . . 99.99 113.348 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -79.88 -84.96 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.56 0.344 . . . . 99.99 111.441 -167.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -88.41 -55.23 3.81 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.67 -0.863 . . . . 99.99 108.67 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -152.24 -37.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.8 -1.545 . . . . 99.99 107.962 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 155' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' D' ' 149' ' ' THR . . . . . . . . 0 C--O 1.258 1.55 0 CA-C-N 114.761 -1.109 . . . . 99.99 109.671 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.152 0 CA-C-O 121.656 0.741 . . . . 99.99 110.097 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -170.43 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.043 0.937 . . . . 99.99 109.817 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -157.82 172.94 17.58 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 107.758 -1.201 . . . . 99.99 107.758 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -63.2 95.9 0.09 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.517 -0.549 . . . . 99.99 109.517 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.666 HG22 ' HB3' ' E' ' 304' ' ' PRO . 12.8 t -75.49 -1.34 23.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.972 0.909 . . . . 99.99 111.839 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -59.53 131.1 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.604 0.716 . . . . 99.99 110.264 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.472 ' HB3' HD23 ' B' ' 42' ' ' LEU . . . -87.44 5.79 37.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.133 -0.94 . . . . 99.99 112.794 -170.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' B' ' 136' ' ' LEU . 3.4 tt -59.89 116.4 4.09 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 123.999 0.812 . . . . 99.99 109.718 -172.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.69 10.55 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.986 0.915 . . . . 99.99 111.117 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 137' ' ' PHE . 0.2 OUTLIER -75.27 146.97 40.63 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.824 -1.08 . . . . 99.99 110.329 -176.343 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.12 151.85 64.07 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.63 0.772 . . . . 99.99 109.881 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.21 -18.22 50.58 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.615 2.21 . . . . 99.99 113.298 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.57 163.89 36.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.835 0.454 . . . . 99.99 110.495 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.76 5.87 6.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.416 1.086 . . . . 99.99 111.91 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' B' ' 58' ' ' VAL . 3.7 t80 68.57 23.9 7.12 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.568 1.147 . . . . 99.99 110.024 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.473 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 24.5 m -53.52 -50.72 81.53 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 114.635 1.346 . . . . 99.99 114.635 -163.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' E' ' 21' ' ' ALA . 15.3 Cg_exo -71.17 102.52 1.26 Allowed 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 121.641 1.561 . . . . 99.99 112.029 172.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.516 HG21 HD11 ' B' ' 89' ' ' ILE . 2.4 t -78.2 79.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 107.945 -1.131 . . . . 99.99 107.945 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 2.2 p -169.13 -44.68 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.649 1.579 . . . . 99.99 107.229 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' E' ' 22' ' ' ARG . 19.5 ptmt -150.2 -44.8 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.951 -1.477 . . . . 99.99 110.151 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' E' ' 17' ' ' PRO . . . 71.42 -56.29 0.64 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.514 1.526 . . . . 99.99 112.086 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' E' ' 20' ' ' LYS . 15.4 ptm180 -55.21 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.267 1.027 . . . . 99.99 110.551 166.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -126.59 126.15 24.51 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.219 0.608 . . . . 99.99 111.327 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.488 ' HD3' ' HG3' ' E' ' 330' ' ' GLU . 9.8 Cg_exo -73.58 137.17 24.76 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 122.619 2.213 . . . . 99.99 109.043 160.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.24 114.94 9.82 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.828 0.346 . . . . 99.99 111.371 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 26.1 ttt -148.04 106.05 3.64 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.6 38.2 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 123.654 2.903 . . . . 99.99 112.842 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 6.4 p -62.05 -45.0 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.216 1.007 . . . . 99.99 110.835 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.46 128.23 0.54 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.139 -1.43 . . . . 99.99 107.139 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.26 -40.43 86.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.446 0.699 . . . . 99.99 112.2 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 54.0 t30 75.58 -35.1 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 125.887 1.675 . . . . 99.99 112.863 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -11.7 54.99 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.564 1.146 . . . . 99.99 112.32 -177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.79 55.39 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 124.072 0.949 . . . . 99.99 111.873 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.69 -72.43 0.09 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.281 1.432 . . . . 99.99 111.518 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -123.08 -74.15 0.63 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.321 0.648 . . . . 99.99 109.318 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.53 124.52 0.1 OUTLIER Glycine 0 C--N 1.353 1.501 0 CA-C-N 116.116 -0.493 . . . . 99.99 112.315 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.15 86.3 3.0 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.127 -0.694 . . . . 99.99 109.127 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.561 HG23 ' H ' ' E' ' 39' ' ' THR 0.272 6.4 tp 39.85 -89.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.733 0 C-N-CA 126.302 1.841 . . . . 99.99 113.194 -176.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 39' ' ' THR . . . . . 0.561 ' H ' HG23 ' E' ' 38' ' ' ILE . 36.1 m 71.87 -58.4 0.59 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.837 1.655 . . . . 99.99 113.353 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.51 82.22 0.22 Allowed Pre-proline 0 C--N 1.355 0.832 0 C-N-CA 124.778 1.231 . . . . 99.99 109.535 -169.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.12 89.12 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 123.368 2.712 . . . . 99.99 112.872 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.23 7.64 66.77 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.522 -0.763 . . . . 99.99 112.579 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.46 -116.13 2.25 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.179 -0.768 . . . . 99.99 111.179 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.71 -81.17 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.321 1.448 . . . . 99.99 111.704 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 60.36 -85.74 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.216 1.406 . . . . 99.99 112.205 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 40.46 0.83 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.877 0.871 . . . . 99.99 112.256 -172.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 37.14 74.44 0.08 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.699 1.599 . . . . 99.99 111.93 -168.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 38.7 m -71.96 85.44 0.98 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.88 -1.055 . . . . 99.99 110.214 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.69 69.35 3.37 Favored Glycine 0 C--N 1.343 0.941 0 N-CA-C 109.969 -1.252 . . . . 99.99 109.969 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.84 103.77 0.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.927 0.891 . . . . 99.99 110.999 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -72.67 -15.89 61.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.145 0.978 . . . . 99.99 112.4 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -19.73 62.24 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.691 0.281 . . . . 99.99 110.409 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -9.78 47.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.137 0.975 . . . . 99.99 111.933 168.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' H ' ' E' ' 61' ' ' ASP . . . 79.01 23.06 0.58 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.622 1.569 . . . . 99.99 111.507 175.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 tt 61.2 -79.41 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.516 1.526 . . . . 99.99 109.686 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -105.11 42.44 1.22 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.713 0.805 . . . . 99.99 109.364 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 46.26 -72.2 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 127.104 2.162 . . . . 99.99 116.328 170.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 13.7 p -61.17 83.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.032 1.333 . . . . 99.99 113.665 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 tp 57.92 12.38 1.73 Allowed 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 125.986 1.714 . . . . 99.99 113.266 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 60' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' E' ' 63' ' ' PRO . 31.0 m -71.61 -42.55 67.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.971 0.508 . . . . 99.99 110.756 -174.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 61' ' ' ASP . . . . . 0.534 ' H ' ' HB1' ' E' ' 54' ' ' ALA . 27.0 t70 63.21 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.817 1.247 . . . . 99.99 111.343 173.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.526 ' HE2' ' HB3' ' E' ' 64' ' ' ALA . 14.7 tmtt? -138.65 84.61 18.23 Favored Pre-proline 0 CA--C 1.551 0.996 0 N-CA-C 106.571 -1.64 . . . . 99.99 106.571 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' E' ' 60' ' ' SER . 35.9 Cg_endo -92.29 22.05 0.67 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.24 2.626 . . . . 99.99 112.994 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.526 ' HB3' ' HE2' ' E' ' 62' ' ' LYS . . . -80.28 77.43 7.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.288 0.635 . . . . 99.99 110.01 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -106.68 -172.4 2.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.481 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -73.87 -157.38 0.05 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.267 1.027 . . . . 99.99 110.809 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' B' ' 101' ' ' TYR . 19.4 tt -74.95 78.77 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-O 122.689 1.233 . . . . 99.99 111.081 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -97.46 88.93 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.234 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 79.2 mt -103.83 89.73 3.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.332 -0.849 . . . . 99.99 110.764 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 78.0 mt 74.73 -31.22 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.482 1.513 . . . . 99.99 114.094 169.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.68 90.74 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.029 0.932 . . . . 99.99 110.153 -169.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.55 -150.03 39.39 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.633 -0.712 . . . . 99.99 111.823 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -153.43 -47.11 0.09 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.046 0.538 . . . . 99.99 109.764 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.15 -164.79 25.46 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-N 116.528 -0.306 . . . . 99.99 113.38 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -142.92 128.62 19.25 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.265 1.026 . . . . 99.99 108.641 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.51 141.56 15.67 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.417 0.448 . . . . 99.99 111.989 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 77' ' ' ASP . . . . . 0.533 ' HB3' HG12 ' E' ' 80' ' ' ILE . 10.2 m-20 -73.73 79.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.747 0.819 . . . . 99.99 111.033 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 78' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' E' ' 221' ' ' ARG . 65.1 m -79.57 -40.58 29.12 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.184 0.994 . . . . 99.99 110.817 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.17 -46.83 8.51 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.802 -1.09 . . . . 99.99 110.606 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.555 HG22 HG22 ' E' ' 81' ' ' THR . 56.4 mt 62.01 -89.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 124.561 1.144 . . . . 99.99 110.276 -175.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.555 HG22 HG22 ' E' ' 80' ' ' ILE . 11.8 t 168.65 163.51 0.04 OUTLIER 'General case' 0 C--O 1.245 0.859 0 C-N-CA 126.607 1.963 . . . . 99.99 107.965 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.85 73.73 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.11 -73.0 0.08 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.672 1.589 . . . . 99.99 112.998 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 52.9 mmt-85 72.93 161.85 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.387 1.475 . . . . 99.99 112.214 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -110.76 -173.18 2.18 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.21 -0.905 . . . . 99.99 110.46 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -132.96 141.7 48.47 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.355 -0.98 . . . . 99.99 108.355 171.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.57 121.3 3.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.155 0.582 . . . . 99.99 109.693 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.08 164.13 16.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.584 0.753 . . . . 99.99 110.633 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.45 -162.04 26.62 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.213 -0.903 . . . . 99.99 113.34 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.88 163.49 27.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.702 0.801 . . . . 99.99 111.025 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.41 72.48 0.07 OUTLIER Glycine 0 C--N 1.338 0.659 0 N-CA-C 110.839 -0.904 . . . . 99.99 110.839 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.45 -104.99 1.08 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 111.356 -0.698 . . . . 99.99 111.356 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 93' ' ' PHE . . . . . 0.408 ' CD1' HG21 ' D' ' 55' ' ' VAL . 6.5 t80 -102.96 -64.46 1.07 Allowed 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 173.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -141.45 170.47 15.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.128 0.971 . . . . 99.99 110.085 170.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -150.12 134.76 17.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.032 0.933 . . . . 99.99 110.4 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.01 -40.92 0.46 Allowed Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.244 -0.434 . . . . 99.99 112.94 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.421 HG23 ' SD ' ' D' ' 94' ' ' MET . 32.0 mt -77.44 -99.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 C-N-CA 123.251 0.62 . . . . 99.99 110.448 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 t70 164.4 -78.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.227 1.011 . . . . 99.99 109.354 -158.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.65 141.17 11.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.872 1.269 . . . . 99.99 108.363 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' D' ' 54' ' ' ASP . 2.9 mp -125.95 51.61 6.02 Favored Pre-proline 0 N--CA 1.491 1.61 0 C-N-CA 123.407 0.683 . . . . 99.99 111.877 -170.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 101' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' E' ' 201' ' ' PRO . 6.1 Cg_exo -77.28 -6.43 16.45 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 121.892 1.728 . . . . 99.99 111.571 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt 77.45 139.92 0.07 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.525 1.53 . . . . 99.99 110.921 168.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 9.4 t -64.94 104.64 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.83 -0.804 . . . . 99.99 108.83 173.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.27 134.92 3.32 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.482 -0.647 . . . . 99.99 111.482 -173.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.86 -28.36 68.28 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.011 0.924 . . . . 99.99 111.369 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -131.52 11.86 4.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.614 1.166 . . . . 99.99 110.975 173.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.1 m 62.8 33.93 14.91 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 124.686 1.194 . . . . 99.99 111.869 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -72.45 97.16 2.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.445 0.64 . . . . 99.99 110.368 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -141.95 -58.99 0.47 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.402 0.681 . . . . 99.99 110.374 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.12 -60.48 0.14 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.675 -0.861 . . . . 99.99 108.675 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' D' ' 136' ' ' LEU . 2.5 tt -82.03 94.82 7.25 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.87 -1.53 . . . . 99.99 106.87 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 112' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' ' 45' ' ' ASP . 28.4 t-20 -162.49 -49.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.222 -0.899 . . . . 99.99 108.726 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 pttt 173.64 156.19 0.12 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.006 1.722 . . . . 99.99 108.901 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.05 59.81 4.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.016 0.926 . . . . 99.99 109.506 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -64.15 90.12 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 121.375 0.607 . . . . 99.99 110.588 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.45 3.46 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 114.934 -1.03 . . . . 99.99 112.562 -174.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.53 73.25 0.64 Allowed Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 125.019 1.328 . . . . 99.99 111.232 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -92.61 89.69 0.19 Allowed 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 123.201 2.601 . . . . 99.99 109.144 169.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.92 78.64 0.89 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.617 0.767 . . . . 99.99 111.641 -166.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 50.4 p90 169.32 -34.71 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 126.889 2.075 . . . . 99.99 108.453 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.06 99.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 108.833 -0.802 . . . . 99.99 108.833 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p -138.19 -150.97 0.36 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.498 1.119 . . . . 99.99 109.483 -173.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.78 -7.62 8.34 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.661 1.584 . . . . 99.99 113.39 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 124' ' ' SER . . . . . 0.445 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 26.4 m -61.89 89.7 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.809 0.844 . . . . 99.99 111.353 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 125' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' D' ' 129' ' ' ALA . . . -165.92 176.7 7.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.375 1.07 . . . . 99.99 110.309 -177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.33 153.06 31.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.472 0.709 . . . . 96.83 110.195 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 127' ' ' SER . . . . . 0.483 ' HA ' HD21 ' D' ' 127' ' ' ASN . 50.0 m -154.7 145.41 22.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.523 0.729 . . . . 99.99 109.677 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -104.13 127.01 51.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.325 0.65 . . . . 74.48 110.776 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.3 t -79.72 116.31 19.83 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.163 0.585 . . . . 99.99 110.555 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -166.95 102.47 0.55 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.155 0.982 . . . . 99.99 108.754 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.436 ' HZ2' ' HB3' ' D' ' 32' ' ' PHE . 38.4 t90 -84.9 -91.93 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 109.915 -0.402 . . . . 99.99 109.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 33.6 p -179.25 -177.53 0.46 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.245 0.618 . . . . 99.99 111.712 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.479 HG21 HD11 ' E' ' 470' ' ' LEU . 15.1 t -160.59 -172.39 3.51 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.237 1.015 . . . . 99.99 109.328 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.83 26.74 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.262 -0.735 . . . . 89.58 111.262 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 13.3 m -109.53 176.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.27 0.628 . . . . 99.99 109.634 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -120.32 -164.65 1.11 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.382 0.673 . . . . 99.99 109.575 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.592 HG21 ' HG3' ' E' ' 464' ' ' MET . 34.5 m 79.93 127.24 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.532 1.533 . . . . 99.99 111.956 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 22.5 t80 65.49 86.04 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.747 1.619 . . . . 99.99 110.187 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.3 111.64 6.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.05 -0.977 . . . . 99.99 110.953 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.561 ' H ' HG12 ' C' ' 13' ' ' ILE . . . 87.95 149.2 17.02 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 115.55 -0.75 . . . . 99.99 112.097 -174.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 130' ' ' PRO . . . 79.36 118.62 0.06 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.499 1.52 . . . . 99.99 113.489 169.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.587 ' HA ' HG13 ' C' ' 105' ' ' ILE . 10.9 mp 63.74 23.2 13.39 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.143 1.905 . . . . 99.99 116.143 163.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 143' ' ' GLY . . . . . 0.65 ' HA3' ' HD3' ' A' ' 130' ' ' PRO . . . -165.67 -143.76 3.84 Favored Glycine 0 N--CA 1.481 1.672 0 CA-C-N 119.574 1.079 . . . . 99.99 112.999 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' C' ' 15' ' ' ARG . 5.7 m -139.43 161.82 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.089 0.956 . . . . 99.99 110.34 175.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' E' ' 135' ' ' VAL . 25.4 t70 -147.68 119.48 8.1 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.157 0.583 . . . . 99.99 110.211 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 13.8 tt -87.21 102.3 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-O 121.782 0.801 . . . . 99.99 110.289 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -136.01 136.95 40.72 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.22 113.13 24.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.976 0.511 . . . . 99.99 111.481 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -134.32 106.55 7.16 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 166.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.81 162.5 23.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.49 0.716 . . . . 99.99 110.843 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 151' ' ' HIS . . . . . 0.426 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 81.8 m-70 -126.78 -54.3 0.03 OUTLIER Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 118.72 -0.657 . . . . 99.99 111.695 -175.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 152' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 43.8 Cg_endo -91.02 -176.5 0.94 Allowed 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 121.865 1.71 . . . . 99.99 112.982 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 60.5 m -68.88 128.88 38.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.369 -0.832 . . . . 99.99 109.353 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.9 tt -54.76 -38.53 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.89 0.876 . . . . 99.99 112.404 -172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.421 HD12 ' N ' ' E' ' 156' ' ' GLU . 3.6 pp -86.02 -44.88 11.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.174 -0.467 . . . . 99.99 110.353 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 156' ' ' GLU . . . . . 0.421 ' N ' HD12 ' E' ' 155' ' ' LEU . 28.8 tt0 47.38 -84.31 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.336 1.455 . . . . 99.99 112.301 -171.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -102.52 136.55 42.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.094 1.357 . . . . 99.99 110.132 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -123.86 -89.54 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.291 0.636 . . . . 99.99 109.339 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -81.23 -37.19 29.0 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 109.687 -0.486 . . . . 99.99 109.687 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.8 26.3 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.158 1.383 . . . . 99.99 112.24 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 74.6 -60.26 0.53 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.614 1.566 . . . . 99.99 111.945 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 122.98 -111.9 1.82 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.97 -1.252 . . . . 99.99 109.97 -176.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 tp 69.06 -69.31 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.28 1.432 . . . . 99.99 112.355 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 164' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' E' ' 421' ' ' VAL . . . 65.59 -167.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.764 1.226 . . . . 99.99 110.491 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 165' ' ' THR . . . . . 0.441 ' H ' HG22 ' E' ' 421' ' ' VAL . 44.9 p -90.69 -33.4 15.8 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.266 -0.642 . . . . 99.99 109.266 168.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 73.54 -80.99 0.75 Allowed Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.056 -1.218 . . . . 99.99 110.056 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -114.64 -176.44 2.9 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 m 45.78 61.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 125.086 1.354 . . . . 99.99 112.717 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 5.1 p -59.96 110.92 1.3 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 114.596 -1.184 . . . . 99.99 110.538 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 14.8 t -79.09 30.38 0.21 Allowed 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 113.66 0.985 . . . . 99.99 113.66 -165.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -67.31 -48.64 67.01 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.422 0.689 . . . . 99.99 109.853 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 172' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 21.4 mm-40 -104.67 153.89 20.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.567 0.747 . . . . 99.99 110.647 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.01 -27.64 11.53 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.738 0.815 . . . . 99.99 110.23 173.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -117.91 92.9 3.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.326 1.051 . . . . 99.99 108.3 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 175' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 37.3 t70 -93.34 163.34 13.64 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.733 -0.667 . . . . 99.99 109.72 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 176' ' ' ALA . . . . . 0.423 ' HA ' ' CZ2' ' E' ' 242' ' ' TRP . . . 73.1 -174.28 0.15 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.132 1.373 . . . . 99.99 111.518 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 177' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' E' ' 178' ' ' PRO . 9.0 m 65.82 47.86 0.57 Allowed Pre-proline 0 CA--C 1.589 2.447 0 C-N-CA 124.601 1.16 . . . . 99.99 111.821 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 178' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' E' ' 177' ' ' THR . 12.8 Cg_endo -108.04 169.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 123.521 2.814 . . . . 99.99 114.973 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -176.84 -79.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.308 1.043 . . . . 99.99 109.898 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 174.81 -33.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.27 1.428 . . . . 99.99 109.07 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 92.8 mt -90.99 172.01 8.87 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.969 0.907 . . . . 99.99 109.137 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.14 102.15 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-O 120.861 0.362 . . . . 99.99 110.321 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 183' ' ' ALA . . . . . 0.549 ' HB3' ' HD2' ' E' ' 189' ' ' LYS . . . 48.5 39.63 13.39 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.57 1.548 . . . . 99.99 113.244 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 184' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' E' ' 187' ' ' SER . 18.0 t-160 65.16 17.51 11.07 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.017 0.927 . . . . 99.99 112.614 171.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 t 57.65 -77.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.9 1.68 . . . . 99.99 113.675 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 14.0 t -80.25 -10.0 59.74 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.47 1.108 . . . . 99.99 112.354 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 187' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' E' ' 184' ' ' HIS . 47.6 t -82.12 109.12 16.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.76 0.424 . . . . 99.99 110.987 -176.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 70.11 -62.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.687 1.595 . . . . 99.99 113.977 168.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 189' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' E' ' 183' ' ' ALA . 14.2 ptmm? -47.04 89.57 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.488 1.515 . . . . 99.99 113.424 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 32.4 t 76.76 -40.34 0.37 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.539 1.935 . . . . 99.99 112.572 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -67.07 -43.92 81.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 123.396 0.679 . . . . 99.99 110.255 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -61.24 121.54 26.65 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-O 118.753 -1.026 . . . . 99.99 112.183 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.18 -30.3 79.08 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.554 2.836 . . . . 99.99 113.245 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 18.9 m 63.58 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 99.99 111.227 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -86.96 -23.79 24.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.194 0.598 . . . . 99.99 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m 63.21 29.8 15.94 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.681 1.192 . . . . 99.99 110.158 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.9 t 66.54 109.31 0.04 OUTLIER 'General case' 0 C--N 1.359 0.995 0 C-N-CA 125.739 1.615 . . . . 99.99 110.841 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.7 -36.17 83.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.112 0.965 . . . . 99.99 111.739 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 68.56 -6.7 0.79 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.462 1.282 . . . . 99.99 114.462 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.96 84.72 0.2 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.538 1.135 . . . . 99.99 110.775 -171.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' E' ' 101' ' ' PRO . 4.4 Cg_exo -78.42 106.13 2.08 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.997 2.465 . . . . 99.99 112.242 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 163.86 153.82 7.51 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 110.685 -0.966 . . . . 99.99 110.685 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -87.94 -78.98 0.3 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.071 -1.085 . . . . 99.99 108.071 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 71.61 -53.28 0.69 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 126.12 1.768 . . . . 99.99 114.144 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 67.8 tp -60.15 93.21 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.126 1.37 . . . . 99.99 112.427 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.75 113.69 11.19 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.936 0.894 . . . . 99.99 109.218 168.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.27 -79.81 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.12 1.368 . . . . 99.99 111.497 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 110.75 94.99 2.29 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 112.2 -0.36 . . . . 99.99 112.2 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.12 9.91 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 109.528 -1.429 . . . . 99.99 109.528 171.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.73 29.42 19.0 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.954 0.883 . . . . 99.99 110.5 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -72.38 93.5 0.61 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.269 -0.878 . . . . 99.99 111.667 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 37.5 t 72.67 114.73 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.388 1.475 . . . . 99.99 111.51 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.86 93.05 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 124.049 0.94 . . . . 99.99 110.831 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 59.4 p -130.0 -57.87 1.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.767 0.827 . . . . 99.99 110.298 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.57 -13.06 62.08 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.097 0.959 . . . . 99.99 111.215 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -51.83 -28.08 14.63 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.239 1.015 . . . . 99.99 111.881 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 56.0 tp 70.91 122.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.361 1.465 . . . . 99.99 109.94 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 93.0 mt 65.35 139.99 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.574 1.15 . . . . 99.99 111.336 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.36 66.24 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.962 0.905 . . . . 99.99 110.521 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -73.16 173.49 9.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.643 -0.708 . . . . 99.99 111.153 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' E' ' 78' ' ' SER . 4.8 ppt_? -52.71 -42.91 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.255 1.022 . . . . 99.99 111.775 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -172.1 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.06 -48.81 0.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.51 1.524 . . . . 99.99 112.652 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.2 m -65.97 -158.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 C-N-CA 126.277 1.831 . . . . 99.99 112.906 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 25.2 m -33.72 105.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.686 1.994 . . . . 99.99 114.596 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 85.3 mt -85.53 -175.7 5.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 114.912 -1.04 . . . . 99.99 109.285 169.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -86.55 -158.66 32.01 Favored Glycine 0 C--N 1.347 1.193 0 C-N-CA 121.81 -0.234 . . . . 99.99 113.515 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -141.35 -68.86 0.03 OUTLIER Glycine 0 C--N 1.342 0.864 0 N-CA-C 111.266 -0.733 . . . . 99.99 111.266 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 78.65 -175.53 54.86 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.215 -0.492 . . . . 99.99 112.69 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.93 113.72 18.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.458 -0.942 . . . . 99.99 108.458 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -92.97 133.18 36.38 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.928 0.394 . . . . 99.99 110.565 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 19.1 p -135.14 -80.07 0.44 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.855 0.862 . . . . 99.99 108.788 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -149.81 -46.37 0.13 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.681 1.192 . . . . 99.99 108.291 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 72.83 1.26 3.95 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.459 1.504 . . . . 99.99 112.367 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -173.95 166.05 4.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.773 1.229 . . . . 99.99 108.123 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.8 m 65.67 67.25 0.49 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.616 1.166 . . . . 99.99 108.826 -171.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 68.24 -76.82 0.05 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.169 -1.378 . . . . 99.99 111.353 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 13.4 m 67.0 87.08 0.13 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.123 1.369 . . . . 99.99 109.516 -174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 67.04 96.95 0.06 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.24 1.416 . . . . 99.99 111.698 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 240' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' E' ' 175' ' ' ASP . . . 172.53 170.39 36.26 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.253 -0.739 . . . . 99.99 111.253 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -150.7 57.48 0.92 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 242' ' ' TRP . . . . . 0.423 ' CZ2' ' HA ' ' E' ' 176' ' ' ALA . 5.5 m-90 46.08 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.724 1.21 . . . . 99.99 112.172 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' E' ' 242' ' ' TRP . 0.2 OUTLIER -143.17 -59.11 0.42 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.387 1.075 . . . . 99.99 109.821 -178.347 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 82.71 -129.0 8.79 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.967 -1.253 . . . . 99.99 109.967 -164.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 65.33 15.36 9.97 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 162.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 12.0 m -58.87 -41.12 86.34 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.152 0.981 . . . . 99.99 113.384 -167.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.62 -36.2 16.42 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.022 0.529 . . . . 99.99 111.319 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.517 HH12 HG11 ' E' ' 421' ' ' VAL . 20.1 ptt180 -77.58 -16.8 58.39 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.415 0.286 . . . . 99.99 111.696 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.91 -57.32 4.7 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.24 0.616 . . . . 99.99 110.251 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -67.98 -16.52 64.09 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.62 0.768 . . . . 99.99 112.937 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -59.72 -11.47 5.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.186 1.394 . . . . 99.99 114.519 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -45.27 -27.25 0.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.461 1.504 . . . . 99.99 114.667 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -73.41 -62.63 1.41 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.489 0.716 . . . . 99.99 112.016 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 56.26 -173.61 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.646 1.178 . . . . 99.99 111.757 -169.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -171.75 46.41 0.18 Allowed Glycine 0 C--N 1.346 1.093 0 O-C-N 121.973 -0.454 . . . . 99.99 112.595 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -123.26 -71.4 0.73 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.058 0.543 . . . . 99.99 109.987 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -117.47 92.02 3.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 82.1 mt -116.39 76.15 1.01 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.447 ' HA ' ' HB3' ' E' ' 263' ' ' ALA . 3.2 p -140.28 -58.88 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.959 -0.564 . . . . 99.99 111.378 -176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 34.2 p -71.88 81.5 0.9 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.522 0.729 . . . . 99.99 112.075 -171.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 30.4 t70 178.09 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.883 2.073 . . . . 99.99 106.682 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 262' ' ' ALA . . . . . 0.448 ' HA ' HE22 ' C' ' 50' ' ' GLN . . . -86.69 -46.0 10.46 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.805 0.842 . . . . 99.99 111.014 -177.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 263' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' E' ' 259' ' ' VAL . . . -72.2 -3.13 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.967 0.907 . . . . 99.99 112.436 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 28.0 m -54.4 -35.6 63.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.678 1.191 . . . . 99.99 112.004 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.21 -80.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.584 -0.735 . . . . 99.99 109.593 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 266' ' ' ASN . . . . . 0.401 ' H ' ' H ' ' E' ' 267' ' ' SER . 64.7 t30 -175.05 10.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.234 0.613 . . . . 99.99 110.575 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 267' ' ' SER . . . . . 0.401 ' H ' ' H ' ' E' ' 266' ' ' ASN . 51.1 p -80.45 156.12 26.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.353 0.661 . . . . 99.99 110.752 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 268' ' ' VAL . . . . . 0.542 HG23 ' HG3' ' E' ' 270' ' ' GLU . 35.2 m -98.49 -168.32 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.221 0.609 . . . . 99.99 109.983 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 18.3 m -60.74 -55.96 26.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.617 0.767 . . . . 99.99 111.315 -174.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.542 ' HG3' HG23 ' E' ' 268' ' ' VAL . 53.8 mt-10 60.66 17.44 7.52 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.321 1.23 . . . . 99.99 114.321 173.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -63.1 -36.67 84.38 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.743 0.817 . . . . 99.99 113.191 -172.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -115.73 7.93 14.79 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.311 0.644 . . . . 99.99 111.101 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -81.54 173.01 12.8 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 122.007 -0.433 . . . . 99.99 111.348 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -63.9 -38.99 93.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.952 0.901 . . . . 99.99 110.29 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -111.29 127.82 26.3 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.728 -0.841 . . . . 99.99 108.728 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.28 -27.42 13.55 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.511 2.141 . . . . 99.99 111.699 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.4 tt 171.84 -55.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 105.008 -2.219 . . . . 99.99 105.008 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.1 pp -139.28 159.32 42.43 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 113.545 -1.661 . . . . 99.99 108.257 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -171.54 51.25 0.18 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.589 -0.604 . . . . 99.99 111.589 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.598 ' HB3' HD22 ' C' ' 98' ' ' LEU . 69.0 tp -75.72 -40.29 55.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.024 0.529 . . . . 99.99 109.941 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.58 -12.09 30.14 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.7 0.8 . . . . 99.99 112.812 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -67.86 -16.73 64.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.561 0.744 . . . . 99.99 112.48 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -159.47 -43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.044 0.537 . . . . 99.99 110.653 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -66.43 86.23 0.11 Allowed Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.856 -0.611 . . . . 99.99 112.885 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -155.56 122.63 5.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.238 1.015 . . . . 99.99 109.031 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.463 ' N ' ' SD ' ' E' ' 286' ' ' MET . 0.3 OUTLIER -150.59 63.58 6.01 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.965 0.906 . . . . 99.99 109.37 -177.525 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -94.21 -89.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.229 2.62 . . . . 99.99 114.296 -169.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' C' ' 131' ' ' VAL . 48.1 t -128.3 133.74 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.338 0.655 . . . . 99.99 110.097 -168.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -116.54 177.77 4.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.566 1.146 . . . . 99.99 108.106 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.437 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 -86.82 145.08 26.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.233 0.47 . . . . 99.99 110.603 167.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' C' ' 129' ' ' ALA . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 65.15 -128.94 34.38 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -85.6 178.44 4.4 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.354 2.702 . . . . 99.99 114.435 -172.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.844 ' HG3' HG22 ' C' ' 40' ' ' VAL . 11.6 mptt -88.33 81.06 7.34 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.23 -0.895 . . . . 99.99 110.137 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.42 3.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.858 0.463 . . . . 99.99 109.993 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.44 HG23 ' HB2' ' C' ' 126' ' ' LEU . 17.6 m -132.67 -76.07 0.5 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.507 0.723 . . . . 99.99 110.2 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.635 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.7 m-30 -86.26 92.31 8.74 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.456 0.702 . . . . 99.99 111.513 -170.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -101.7 9.73 40.73 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 115.046 -0.979 . . . . 99.99 109.745 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 96.2 -97.02 2.0 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.137 -0.785 . . . . 99.99 111.137 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.11 12.65 2.56 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.1 1.36 . . . . 99.99 114.094 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 25.6 mt -128.01 116.03 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.412 0.685 . . . . 99.99 109.315 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.77 -170.15 2.56 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -115.98 96.12 46.19 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 123.242 0.617 . . . . 99.99 110.097 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.666 ' HB3' HG22 ' E' ' 5' ' ' THR . 73.7 Cg_endo -88.34 54.12 2.2 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.206 2.604 . . . . 99.99 110.956 170.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -53.23 119.99 5.42 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.09 1.356 . . . . 99.99 113.329 -168.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' B' ' 131' ' ' VAL . 35.6 m -103.34 146.42 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.816 0.847 . . . . 99.99 111.641 -176.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 58.6 p -112.39 157.4 21.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.465 1.106 . . . . 99.99 109.547 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.008 0.923 . . . . 99.99 110.586 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 66.5 p -122.67 113.93 30.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.0 0.92 . . . . 99.99 110.627 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.48 48.02 1.58 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.397 2.731 . . . . 99.99 111.778 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.426 ' HA ' ' HD3' ' E' ' 312' ' ' PRO . 4.5 t-20 -45.54 114.63 2.41 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 125.114 1.365 . . . . 99.99 113.365 -171.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' E' ' 311' ' ' ASN . 4.9 Cg_exo -82.61 48.54 2.81 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.647 2.898 . . . . 99.99 112.211 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 41.23 133.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 128.338 2.655 . . . . 99.99 116.302 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -164.65 -66.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 315' ' ' ASN . . . . . 0.413 ' O ' HD21 ' B' ' 141' ' ' LEU . 2.5 m-20 75.49 -37.05 0.32 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.024 1.73 . . . . 99.99 114.008 170.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 28.0 t70 63.01 154.43 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.806 1.242 . . . . 99.99 111.153 -173.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 33.4 t -117.86 104.49 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.206 -0.934 . . . . 99.99 109.459 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.25 107.02 51.51 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 107.567 -1.272 . . . . 99.99 107.567 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.88 85.2 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.422 2.082 . . . . 99.99 111.737 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 17.9 p -85.82 -73.48 0.45 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.882 0.873 . . . . 99.99 109.733 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' E' ' 324' ' ' MET . 1.5 tm? -80.05 -18.76 49.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.718 -0.845 . . . . 99.99 108.718 171.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 69.8 97.13 0.06 Allowed 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.188 1.395 . . . . 99.99 109.912 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 74.48 -29.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.69 1.596 . . . . 99.99 113.767 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.744 ' HA ' HD12 ' E' ' 321' ' ' LEU . 39.5 ttm 59.17 42.32 18.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.605 1.162 . . . . 99.99 110.594 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 3.7 t -62.92 -44.9 94.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.135 -1.393 . . . . 99.99 110.746 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.36 78.42 7.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.644 -0.872 . . . . 99.99 108.644 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -89.31 97.48 11.22 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.19 88.9 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.583 1.153 . . . . 99.99 112.75 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.65 -21.26 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.359 0.664 . . . . 99.99 112.251 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.488 ' HG3' ' HD3' ' E' ' 24' ' ' PRO . 0.6 OUTLIER -76.41 -60.14 2.47 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 177.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.07 -25.46 64.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 112.195 0.443 . . . . 99.99 112.195 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.18 -34.78 42.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.557 0.743 . . . . 99.99 110.823 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 42.4 t -81.9 -35.51 29.12 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.734 0.414 . . . . 99.99 110.847 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' E' ' 335' ' ' ASN . 1.5 tmtp? -155.66 150.4 26.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.975 -1.491 . . . . 99.99 106.975 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 335' ' ' ASN . . . . . 0.448 ' N ' ' HD3' ' E' ' 334' ' ' LYS . 57.9 m-80 92.92 82.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 126.517 1.927 . . . . 99.99 109.884 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 74.62 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.273 1.429 . . . . 99.99 112.955 168.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.99 -31.04 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.889 0.876 . . . . 99.99 111.356 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -143.23 146.36 17.04 Favored Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.564 -0.576 . . . . 99.99 111.879 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 18.8 t80 53.08 71.4 0.49 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.281 1.432 . . . . 99.99 111.412 171.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -93.73 122.14 35.89 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.504 -0.771 . . . . 99.99 110.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 69.83 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.545 1.538 . . . . 99.99 109.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.97 179.45 7.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.066 0.547 . . . . 99.99 111.058 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.6 135.5 24.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 114.579 -1.192 . . . . 99.99 108.82 167.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -105.28 160.84 14.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.03 0.932 . . . . 99.99 109.44 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -72.11 0.61 Allowed Glycine 0 C--N 1.355 1.618 0 O-C-N 123.704 0.628 . . . . 99.99 113.249 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.78 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.011 1.324 . . . . 99.99 112.494 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 39.3 m -84.62 42.17 0.89 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.116 0.966 . . . . 99.99 112.018 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 37.6 pt -112.65 161.84 11.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 C-N-CA 124.662 1.185 . . . . 99.99 110.968 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -54.6 154.15 5.14 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.863 1.265 . . . . 99.99 111.889 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 350' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' E' ' 350' ' ' LYS . 0.6 OUTLIER 80.16 -40.31 0.19 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.165 1.786 . . . . 99.99 111.685 -176.542 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.74 -31.88 67.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 110.03 -0.359 . . . . 99.99 110.03 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.73 -78.2 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.77 1.228 . . . . 99.99 113.692 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -74.38 -24.4 59.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.526 0.731 . . . . 99.99 110.91 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.25 66.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.011 0.525 . . . . 99.99 110.55 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.63 -45.7 13.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.822 0.849 . . . . 99.99 109.472 170.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 356' ' ' ASN . . . . . 0.511 ' HB2' ' HD3' ' E' ' 357' ' ' PRO 0.279 54.1 m-80 97.65 -68.07 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 C-N-CA 128.758 2.823 . . . . 99.99 112.324 -175.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' E' ' 356' ' ' ASN . 18.0 Cg_exo -69.15 -5.06 14.9 Favored 'Trans proline' 0 C--N 1.399 3.213 0 CA-C-N 122.575 1.955 . . . . 99.99 113.68 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.5 m 79.44 -48.02 0.38 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.446 1.498 . . . . 99.99 112.963 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 -72.85 2.56 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.213 -0.755 . . . . 99.99 111.213 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -76.27 88.08 3.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.03 0.932 . . . . 99.99 109.657 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.68 -56.61 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.562 0.745 . . . . 99.99 109.167 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 175.67 101.02 0.14 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.673 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 363' ' ' GLU . . . . . 0.54 ' HG3' HG23 ' E' ' 364' ' ' THR . 11.2 tp10 -81.04 137.89 36.02 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.707 0.803 . . . . 99.99 109.967 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 364' ' ' THR . . . . . 0.54 HG23 ' HG3' ' E' ' 363' ' ' GLU . 50.0 p 61.02 169.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.597 1.959 . . . . 99.99 114.252 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.5 148.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.3 1.04 . . . . 99.99 109.306 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.02 92.81 6.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.244 0.545 . . . . 99.99 109.792 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 38.2 tp -80.44 -13.68 58.93 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.139 0.976 . . . . 99.99 110.447 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -39.55 63.11 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.657 1.183 . . . . 99.99 111.512 176.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.57 -46.22 84.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.285 1.034 . . . . 99.99 111.351 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.67 90.38 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.402 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.69 -48.27 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 123.802 0.689 . . . . 99.99 109.963 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.81 1.244 . . . . 99.99 111.851 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -59.95 4.26 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.48 61.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.327 -1.306 . . . . 99.99 112.506 -172.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.78 -24.3 67.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.16 0.984 . . . . 99.99 111.755 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.11 -48.3 79.16 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.455 0.702 . . . . 99.99 110.24 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -75.3 -28.33 59.66 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.346 -0.843 . . . . 99.99 111.23 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.89 -16.5 64.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.584 0.754 . . . . 99.99 112.435 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 379' ' ' LYS . . . . . 0.423 ' HE2' ' HG3' ' E' ' 406' ' ' PRO . 9.9 mtmp? -70.63 -42.85 70.33 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.665 -0.494 . . . . 99.99 109.665 172.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 61.93 14.5 6.43 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.123 1.369 . . . . 99.99 110.886 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -88.19 133.1 34.11 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.796 1.238 . . . . 99.99 108.923 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -163.31 71.82 0.2 Allowed Glycine 0 C--O 1.241 0.548 0 N-CA-C 110.29 -1.124 . . . . 99.99 110.29 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -69.56 86.99 0.47 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.769 0.795 . . . . 99.99 110.099 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.8 p -112.64 11.75 19.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.664 1.186 . . . . 99.99 109.807 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.85 -59.47 2.91 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.346 0.658 . . . . 99.99 109.432 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 386' ' ' VAL . . . . . 0.402 HG12 HG23 ' E' ' 388' ' ' VAL . 46.8 t -93.78 113.26 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.245 -0.889 . . . . 99.99 108.855 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 46.9 mm -113.96 100.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 388' ' ' VAL . . . . . 0.402 HG23 HG12 ' E' ' 386' ' ' VAL . 54.8 t -112.04 113.01 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.115 -0.698 . . . . 99.99 109.115 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 7.4 t -87.71 114.41 24.3 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 167.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -123.19 92.0 3.6 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.594 0.757 . . . . 99.99 109.799 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.75 159.96 23.73 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 171.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 68.6 m80 79.07 -47.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.865 1.666 . . . . 99.99 110.629 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -66.6 84.59 0.11 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.891 0.476 . . . . 99.99 110.926 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -85.44 -41.02 15.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.454 0.701 . . . . 99.99 110.388 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -128.61 -15.49 4.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.604 1.162 . . . . 99.99 109.349 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.6 m -77.37 88.74 3.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.482 1.113 . . . . 99.99 110.788 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.35 168.79 19.32 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.762 -0.459 . . . . 99.99 109.762 174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.8 90.64 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 109.153 -0.684 . . . . 99.99 109.153 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 54.6 t 63.34 -76.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.818 1.647 . . . . 99.99 111.584 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -97.64 121.78 57.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.874 0.87 . . . . 99.99 110.011 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.31 126.24 8.31 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.726 2.284 . . . . 99.99 112.057 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -111.21 131.47 55.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 17.8 p -150.82 95.77 2.25 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.029 0.932 . . . . 99.99 110.499 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -100.51 -79.02 0.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 165.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 64.29 174.38 0.06 OUTLIER Pre-proline 0 N--CA 1.488 1.458 0 C-N-CA 124.143 0.977 . . . . 99.99 112.329 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 406' ' ' PRO . . . . . 0.423 ' HG3' ' HE2' ' E' ' 379' ' ' LYS . 89.0 Cg_exo -50.52 109.34 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.098 1.866 . . . . 99.99 111.075 159.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -78.62 -119.45 0.25 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.484 0.49 . . . . 99.99 113.7 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.93 -15.77 43.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.332 0.653 . . . . 99.99 111.404 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 409' ' ' THR . . . . . 0.566 HG22 ' H ' ' E' ' 410' ' ' GLN . 2.8 m 59.96 -146.93 0.47 Allowed 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 124.302 1.041 . . . . 99.99 110.094 177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 410' ' ' GLN . . . . . 0.566 ' H ' HG22 ' E' ' 409' ' ' THR . 38.7 mt-30 65.03 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.847 1.259 . . . . 99.99 111.366 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -164.87 174.12 10.94 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.977 1.311 . . . . 99.99 108.846 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 9.9 mp 72.49 -61.17 0.51 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.117 1.367 . . . . 99.99 111.211 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . 0.262 6.1 p30 56.67 -74.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.07 2.148 . . . . 99.99 113.157 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.9 p -124.77 -32.25 3.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.619 0.767 . . . . 99.99 110.887 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -95.69 130.25 42.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.06 0.944 . . . . 99.99 110.177 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.42 -43.81 5.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.428 0.691 . . . . 99.99 110.825 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -161.57 111.81 0.49 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.71 -0.556 . . . . 99.99 111.71 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.61 -4.97 58.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.935 0.894 . . . . 99.99 112.317 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.78 -55.5 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.134 0.574 . . . . 99.99 110.161 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.3 tpp 52.78 46.89 25.85 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 124.442 1.088 . . . . 99.99 110.151 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' E' ' 164' ' ' ALA . 57.6 t 77.57 -38.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 125.677 1.591 . . . . 99.99 112.647 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 22.2 ttt 61.12 28.69 18.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.598 1.159 . . . . 99.99 110.731 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 19.4 m 63.57 18.89 11.4 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.87 1.268 . . . . 99.99 112.768 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -67.79 121.26 15.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.565 -0.531 . . . . 99.99 109.565 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -133.63 160.97 24.2 Favored Glycine 0 C--N 1.341 0.814 0 CA-C-O 119.524 -0.598 . . . . 99.99 112.255 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 76.51 -47.54 0.54 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.855 1.662 . . . . 99.99 111.53 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 23.0 m -49.91 -34.77 21.39 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 125.959 1.704 . . . . 99.99 113.638 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.61 -12.97 9.68 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.886 0.874 . . . . 99.99 111.465 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -90.08 -21.71 22.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.721 1.208 . . . . 99.99 112.316 -168.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 430' ' ' ASP . . . . . 0.451 ' HA ' ' HB2' ' E' ' 434' ' ' HIS . 13.0 p-10 -62.85 -39.96 95.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.864 0.466 . . . . 99.99 112.003 -172.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 431' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' D' ' 26' ' ' PRO . 24.0 t -89.46 -16.82 29.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.467 0.707 . . . . 99.99 111.623 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.87 -65.6 0.99 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.256 -0.646 . . . . 99.99 109.256 -175.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.401 ' CG ' ' HG2' ' E' ' 243' ' ' GLN . 58.1 mm-40 -121.02 -98.78 0.44 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.795 0.838 . . . . 99.99 109.241 172.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 434' ' ' HIS . . . . . 0.451 ' HB2' ' HA ' ' E' ' 430' ' ' ASP . 13.3 t-160 65.07 15.26 9.89 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 123.981 0.913 . . . . 99.99 111.402 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 4.2 m 56.13 21.75 5.44 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.821 1.248 . . . . 99.99 110.695 -168.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 86.42 -104.58 2.92 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.886 -169.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 10.1 t 59.71 35.95 22.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.325 1.45 . . . . 99.99 111.365 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -79.08 94.07 5.26 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.374 -0.83 . . . . 99.99 110.484 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.589 HD12 ' H ' ' E' ' 440' ' ' ARG 0.263 1.6 pp 44.08 -77.35 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 126.823 2.049 . . . . 99.99 114.307 178.431 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.589 ' H ' HD12 ' E' ' 439' ' ' LEU . 26.0 tpt180 -171.0 110.31 0.33 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.324 1.05 . . . . 99.99 108.579 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.43 -60.49 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.618 0.767 . . . . 99.99 109.182 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -99.16 91.65 5.09 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.401 0.68 . . . . 99.99 110.416 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -113.52 -57.11 2.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.671 0.788 . . . . 99.99 109.381 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 50.13 73.14 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.375 1.47 . . . . 99.99 111.862 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -71.72 149.44 44.9 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 115.117 -0.947 . . . . 99.99 112.551 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 132.34 35.83 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.631 2.22 . . . . 99.99 111.254 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -69.1 -51.3 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.74 0.816 . . . . 99.99 111.552 -171.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 62.78 168.55 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.95 1.3 . . . . 99.99 113.977 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.79 141.64 5.07 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.205 1.002 . . . . 99.99 109.715 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 450' ' ' ASN . . . . . 0.474 ' HB3' HD11 ' C' ' 136' ' ' LEU . 27.7 t-20 -159.49 159.47 33.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.629 0.772 . . . . 99.99 109.585 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 11' ' ' PHE . 75.1 t -67.48 97.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.689 0.796 . . . . 99.99 110.484 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.491 HG21 HD23 ' E' ' 454' ' ' LEU . 13.1 p 48.53 -67.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 C-N-CA 128.171 2.588 . . . . 99.99 117.334 167.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.847 ' HA3' ' HA ' ' C' ' 136' ' ' LEU . . . 79.94 84.43 0.65 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.785 -0.526 . . . . 99.99 111.785 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.663 HD22 ' SG ' ' A' ' 97' ' ' CYS . 3.7 pp -144.03 131.76 21.31 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 109.412 -0.588 . . . . 99.99 109.412 173.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t 178.89 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.548 1.539 . . . . 99.99 108.785 171.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.91 -51.24 42.13 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.891 1.276 . . . . 99.99 111.26 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 67.78 119.87 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.319 1.448 . . . . 99.99 111.118 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.1 m -68.07 99.51 0.88 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.267 -1.383 . . . . 99.99 107.267 164.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.88 -88.0 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.619 1.168 . . . . 99.99 113.194 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.54 ' HB3' ' H ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER 46.05 44.35 11.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.842 1.257 . . . . 99.99 111.009 -177.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -63.19 81.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.982 0.913 . . . . 99.99 111.451 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 5.6 t80 58.96 27.94 16.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.246 1.418 . . . . 99.99 112.349 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.0 p -94.91 -7.37 40.24 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.209 0.818 . . . . 99.99 113.209 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.592 ' HG3' HG21 ' E' ' 137' ' ' THR . 25.2 ttt -68.55 106.79 2.69 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 173.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.52 -74.23 0.22 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.502 0.721 . . . . 99.99 110.878 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -79.84 163.27 24.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.598 0.759 . . . . 99.99 111.45 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 467' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.85 81.91 6.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.277 174.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.627 HD21 HD22 ' A' ' 42' ' ' LEU . 95.6 mt 67.51 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.888 1.275 . . . . 99.99 111.449 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 107.07 113.19 3.75 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.888 -1.285 . . . . 99.99 109.888 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.678 HD22 ' HD2' ' A' ' 38' ' ' PRO . 6.1 tt -139.12 129.0 24.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 -174.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 176.359 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.636 -0.505 . . . . 99.99 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -78.89 -92.95 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.13 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 46.08 47.99 12.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.797 1.239 . . . . 99.99 112.147 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 66.58 97.47 0.05 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.792 -1.549 . . . . 99.99 111.162 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -149.96 -153.93 0.52 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.822 -1.177 . . . . 99.99 107.822 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 66.92 96.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.372 1.069 . . . . 99.99 109.311 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p 56.46 -104.82 0.24 Allowed 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 125.733 1.613 . . . . 99.99 110.972 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 166.99 -43.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.893 1.677 . . . . 99.99 107.644 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptm -78.19 132.53 37.63 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 113.845 -1.525 . . . . 99.99 110.707 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.867 ' HB ' ' HA ' ' E' ' 447' ' ' HIS . 87.9 m -172.35 145.33 1.66 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.078 1.351 . . . . 99.99 108.821 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -92.72 135.25 34.27 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -147.68 138.98 23.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.79 0.436 . . . . 99.99 110.833 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 105' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 87.02 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 HG21 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 27.8 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.419 HG21 ' SG ' ' A' ' 113' ' ' CYS . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 12.57 109.416 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 37.56 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 5.43 106.668 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 6.92 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 5.61 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 12.68 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 32.78 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HD2' ' HG ' ' E' ' 470' ' ' LEU . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 57.34 113.608 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 48.36 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 97.85 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.735 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.457 ' H ' HD21 ' E' ' 460' ' ' LEU . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 43.33 109.708 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 41.53 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 88.8 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 73.87 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 57' ' ' GLU . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 51' ' ' LEU . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.04 109.918 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 54.22 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 29.36 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 19.86 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.831 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 13.6 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 17.22 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 14.92 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 21.43 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 23.61 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 57.75 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 93.1 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 30.12 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 22.88 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 30.01 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 76' ' ' CYS . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 14.44 108.455 171.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.684 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 9.47 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 20.02 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HD3' ' A' ' 15' ' ' ARG . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 66.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p -91.45 122.23 33.86 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' E' ' 453' ' ' GLY . 0.0 OUTLIER -111.19 131.79 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.083 0.953 . . . . 99.99 109.722 -177.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 140.23 8.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.625 0.77 . . . . 99.99 110.461 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.528 ' H ' HG12 ' E' ' 451' ' ' VAL . . . 97.37 -31.36 7.84 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 114.781 0.672 . . . . 99.99 114.781 176.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -115.99 144.8 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.222 0.609 . . . . 99.99 110.717 -176.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 -175.65 4.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.112 0.965 . . . . 99.99 109.262 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.06 -152.64 47.35 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 123.315 0.385 . . . . 99.99 113.115 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -25.79 67.44 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.154 1.382 . . . . 99.99 111.543 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 141' ' ' LEU . 57.3 tt0 -62.63 -49.59 74.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.713 0.805 . . . . 99.99 110.131 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -76.62 -29.98 56.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.92 -1.037 . . . . 99.99 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -31.82 72.31 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.053 0.541 . . . . 99.99 110.641 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -74.09 -43.22 58.44 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.638 0.775 . . . . 99.99 109.864 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 37.3 t -64.56 -30.44 71.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.358 0.663 . . . . 99.99 112.456 -173.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt -101.64 -34.25 9.57 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.076 0.55 . . . . 99.99 111.225 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 95.56 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 94.48 111.813 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 73.2 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 48.9 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 94.19 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 13' ' ' ILE . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 55.88 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 21.71 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 15.39 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 9.95 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 20.66 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 7.34 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 15.45 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 18' ' ' THR . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 4.41 111.322 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 7.34 109.863 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.518 HG21 ' HE2' ' C' ' 109' ' ' TYR . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 7.28 111.882 -175.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 4.96 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 48.88 112.733 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 26.6 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 17.97 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.469 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 8.38 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.419 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 20.1 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 13.71 109.09 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 20.05 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.454 ' HB3' ' CB ' ' E' ' 132' ' ' SER . 5.5 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.421 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 56.76 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 62.97 113.009 -164.124 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 56.46 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.537 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 77.42 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t -115.1 132.23 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.418 ' HB2' ' H ' ' E' ' 140' ' ' GLY . 63.5 t30 -88.0 65.81 8.38 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 122.204 1.002 . . . . 99.99 109.134 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -82.15 -24.74 34.88 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.716 -1.129 . . . . 99.99 110.488 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.01 -43.34 95.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.124 0.97 . . . . 99.99 110.943 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.62 74.34 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.612 0.597 . . . . 99.99 112.612 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.71 -38.38 90.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.272 0.629 . . . . 99.99 109.416 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.63 -19.61 37.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.361 0.664 . . . . 99.99 111.112 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.519 ' HG3' ' HA3' ' E' ' 143' ' ' GLY . 1.3 tmt? -67.37 -29.05 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.406 0.682 . . . . 99.99 111.543 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -58.11 -29.73 65.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.355 0.598 . . . . 99.99 111.217 173.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -91.88 -30.77 15.98 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.395 1.078 . . . . 99.99 111.773 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 93' ' ' GLN . 23.8 tp -44.38 -52.22 7.91 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.086 1.354 . . . . 99.99 114.041 -173.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -174.38 31.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.448 0.642 . . . . 99.99 111.424 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 64.47 6.42 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -142.24 99.67 3.56 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.814 . . . . 99.99 110.921 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 56.26 -161.8 0.18 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.845 1.258 . . . . 99.99 112.947 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -72.27 87.49 0.5 Allowed Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.658 -0.577 . . . . 99.99 111.658 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.14 152.67 7.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.764 1.226 . . . . 99.99 112.77 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.72 43.76 1.25 Allowed Glycine 0 N--CA 1.469 0.882 0 CA-C-N 115.717 -0.674 . . . . 99.99 111.512 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -104.14 -6.81 20.68 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.543 0.737 . . . . 99.99 111.247 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -111.19 0.07 Allowed 'General case' 0 CA--C 1.557 1.25 0 CA-C-O 117.684 -1.151 . . . . 99.99 109.805 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 68.34 -63.15 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.815 1.646 . . . . 99.99 111.757 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -56.33 91.41 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.357 1.463 . . . . 99.99 110.491 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.94 -58.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.74 -1.948 . . . . 99.99 105.74 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.53 -39.76 14.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.27 -1.332 . . . . 99.99 108.25 168.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.85 -1.068 . . . . 99.99 109.249 171.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.076 -0.342 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -147.51 177.47 9.23 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.838 0.855 . . . . 99.99 108.825 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -84.26 -96.25 0.06 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 109.611 -0.514 . . . . 99.99 109.611 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 167.62 -49.66 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.635 1.574 . . . . 99.99 107.144 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -166.34 -67.13 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 114.287 -1.324 . . . . 99.99 108.847 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.29 -75.56 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.631 1.573 . . . . 99.99 113.105 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -92.61 -172.73 3.14 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.169 0.988 . . . . 99.99 110.596 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -71.36 88.36 0.87 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.682 -0.859 . . . . 99.99 108.682 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.629 ' HG3' HG23 ' B' ' 89' ' ' ILE . 1.4 tmt? 66.44 170.8 0.24 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.068 1.347 . . . . 99.99 111.459 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.428 ' N ' ' SD ' ' B' ' 9' ' ' MET . 9.0 t -148.27 127.34 12.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.491 0.717 . . . . 99.99 110.04 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -152.19 147.84 26.9 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.335 0.654 . . . . 93.55 110.891 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.45 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 9.9 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 40.88 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 85.25 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 95.33 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 13.6 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 23.1 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.419 ' H ' ' HA2' ' A' ' 121' ' ' GLY . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 6.51 110.122 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 19.94 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 5.14 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 19.25 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 9.84 107.242 167.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.66 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 18.09 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' B' ' 71' ' ' GLU . 26.2 m120 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 49.39 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.414 HG12 ' O ' ' B' ' 28' ' ' ALA . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 98.87 111.276 -174.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 72.1 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.515 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 96.73 110.86 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' E' ' 11' ' ' LEU . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 67.27 109.247 172.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 66.97 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 35.64 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 74.75 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 43.74 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 89.61 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 85.91 110.481 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 76.71 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 98.07 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.813 HG11 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 57.34 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 21.57 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 62.33 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.75 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 95.32 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 14.84 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 28.15 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 18.14 109.207 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 24.35 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 26.44 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.53 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 56.64 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 62.67 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 81.37 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.421 ' HB2' ' OD1' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 33.32 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.53 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 25.99 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 18.76 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 16.93 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 12.76 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' B' ' 113' ' ' CYS . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 8.91 110.229 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 33.15 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 11.78 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 39.34 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 63.88 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.45 ' OG ' ' HG2' ' B' ' 12' ' ' GLN . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 82.93 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 98.2 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' B' ' 9' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.615 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.62 ' NE2' ' HB2' ' B' ' 134' ' ' ASP . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.813 ' HB2' HG11 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 71.23 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 59.87 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 71.19 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.463 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 50.37 111.855 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 36.29 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 87.59 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 105' ' ' ILE . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 37.19 109.505 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 13.07 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 10.37 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 12.29 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 8.75 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 59.14 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 117' ' ' MET . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 13.3 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.561 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 9.86 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 13.13 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.02 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 26.78 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 13.3 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 29.79 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 23.15 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 23.84 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 29.89 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.665 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 72.13 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 73.04 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 90.81 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.493 ' H ' HD11 ' E' ' 6' ' ' ILE . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 43.15 110.082 175.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.546 ' HG3' ' HB ' ' E' ' 306' ' ' VAL . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 61.27 111.078 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.57 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' E' ' 64' ' ' ALA . 53.7 t30 -94.2 103.48 15.51 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' B' ' 44' ' ' LEU . 60.4 m-85 -70.51 -1.88 12.3 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.137 1.375 . . . . 99.99 113.835 -170.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.62 ' HB2' ' NE2' ' B' ' 96' ' ' HIS . 0.6 OUTLIER -48.92 -34.88 13.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.541 1.536 . . . . 99.99 113.201 -173.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.59 54.79 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.661 1.184 . . . . 99.99 113.584 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.416 ' HB2' HD21 ' E' ' 10' ' ' LEU . 25.6 tp -63.89 -53.55 48.74 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.349 0.595 . . . . 99.99 110.247 178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.74 -19.69 48.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.655 -1.157 . . . . 99.99 111.473 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.81 -36.99 62.45 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.716 0.806 . . . . 99.99 109.623 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -87.48 -3.47 59.0 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.533 -0.758 . . . . 99.99 111.139 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -89.6 -29.58 18.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.471 0.308 . . . . 99.99 110.266 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 3.6 pp -91.62 38.43 0.98 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.6 0.714 . . . . 99.99 109.494 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -44.52 -27.8 0.5 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.561 1.945 . . . . 99.99 114.585 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.85 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.036 0.934 . . . . 99.99 111.964 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 59.0 -89.58 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.643 1.577 . . . . 99.99 111.813 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.7 52.92 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.964 0.506 . . . . 99.99 110.312 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -78.32 68.15 2.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.703 -0.681 . . . . 99.99 112.499 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -175.4 -38.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.554 1.142 . . . . 99.99 109.907 -172.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -70.23 78.72 0.42 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 115.523 -0.762 . . . . 99.99 112.908 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 33.2 m 66.15 -73.69 0.07 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.906 1.683 . . . . 99.99 111.265 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 75.33 -24.52 0.22 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.305 1.442 . . . . 99.99 112.965 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.1 -43.18 91.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.123 1.369 . . . . 99.99 111.769 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -109.16 77.29 1.05 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.129 -0.941 . . . . 99.99 109.744 -169.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -73.3 -20.46 60.8 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.474 0.71 . . . . 99.99 112.32 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.89 -30.26 70.37 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.974 0.51 . . . . 99.99 110.865 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.2 0 O-C-N 124.587 1.18 . . . . 99.99 110.251 -175.456 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptm . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 121.404 0.621 . . . . 99.99 110.773 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -72.41 -34.25 67.74 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.094 -0.706 . . . . 99.99 109.094 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.461 ' HG2' ' HG3' ' E' ' 156' ' ' GLU . 14.8 tp10 -107.91 -76.81 0.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.981 0.913 . . . . 99.99 109.572 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLN . . . . . 0.656 ' HG2' ' SD ' ' E' ' 157' ' ' MET . 26.1 tp60 -172.6 -42.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.314 0.645 . . . . 99.99 111.019 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 7.8 t30 77.86 101.99 0.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.65 1.58 . . . . 99.99 111.071 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -148.77 -14.39 0.32 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.107 1.763 . . . . 99.99 108.964 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p 55.72 76.09 0.29 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.799 2.04 . . . . 99.99 112.583 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 61.94 177.69 0.13 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.372 1.469 . . . . 99.99 113.043 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ttt 63.0 114.55 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.74 1.216 . . . . 99.99 110.854 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 24.7 m -85.69 76.02 10.02 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.279 -1.008 . . . . 99.99 108.279 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -111.11 119.95 40.7 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.257 -1.338 . . . . 99.99 108.082 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' E' ' 136' ' ' LYS . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 56.3 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 93.16 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.454 HH11 ' HZ2' ' E' ' 131' ' ' TRP . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 11.74 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.56 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 6.91 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 21.95 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.792 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 5.12 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 9.28 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 8.82 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 12.04 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 30.41 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.676 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 48.75 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 55.24 113.413 -172.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.419 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 88.6 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.419 ' HZ3' ' HA2' ' E' ' 299' ' ' GLY . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 68.93 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 87.15 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.51 HD22 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 94.05 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' E' ' 285' ' ' ASN . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 71.87 109.796 -171.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' THR . . . . . 0.412 ' HB ' ' CD1' ' E' ' 281' ' ' PHE . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 62.96 111.136 -172.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 35.73 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 56.22 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 43.42 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 94.06 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 81.86 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' C' ' 51' ' ' LEU . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.43 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 29.6 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 20.9 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 69.19 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 14.53 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.42 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.525 HG21 HG21 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 17.7 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 29.53 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 32.22 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 59.66 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 97.29 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 76.35 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 37.0 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 34.06 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 39.96 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.434 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 16.54 106.633 -175.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 9.25 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 25.23 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.441 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 66.1 tp60 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 10.6 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.56 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 30.38 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.616 ' HB ' HD11 ' E' ' 277' ' ' LEU . 19.2 mt -115.67 128.0 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -152.97 158.53 42.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.779 0.831 . . . . 99.99 109.665 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.53 -30.91 5.98 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.172 -0.467 . . . . 99.99 112.0 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mm 73.73 89.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.454 1.502 . . . . 99.99 109.895 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 12.8 mp0 -97.6 -14.77 20.81 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.011 0.924 . . . . 99.99 110.394 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.9 -113.41 4.54 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.532 0.52 . . . . 99.99 112.899 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -60.06 -32.75 71.22 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.832 0.853 . . . . 99.99 111.778 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 0.0 OUTLIER -73.03 -45.2 58.99 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.447 -0.797 . . . . 99.99 109.25 179.181 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' C' ' 90' ' ' GLU . 9.2 tmm? -56.27 -46.37 79.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.585 1.154 . . . . 99.99 111.333 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' E' ' 280' ' ' LEU . . . -65.59 -38.67 90.17 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.161 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -75.98 -27.11 57.35 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 120.731 0.301 . . . . 99.99 110.914 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.46 -43.71 93.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.574 0.75 . . . . 99.99 109.707 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 68.51 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 56.52 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 56.59 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 39.21 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 8.71 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 37.06 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 16.74 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 9.85 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.518 ' HE2' HG21 ' A' ' 115' ' ' THR . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 5.88 110.941 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 7.64 110.489 174.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 20.64 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.456 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 13.9 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.525 HG21 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 8.58 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 8.54 112.0 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 6.56 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.576 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 5.22 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 28.53 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 17.6 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 15.17 113.164 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 24.81 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.568 ' HG2' ' H ' ' E' ' 298' ' ' HIS . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 29.42 111.911 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' B' ' 125' ' ' GLN . 53.4 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' E' ' 296' ' ' THR . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 59.85 107.702 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 41.85 106.909 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 38.57 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 24.62 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 24.48 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 68.05 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.99 -32.44 69.28 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.76 -19.9 64.44 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.659 1.184 . . . . 99.99 112.064 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 135' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' C' ' 139' ' ' ASN . . . -54.33 -24.6 19.95 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.974 0.91 . . . . 99.99 112.836 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 mt -81.42 -42.28 20.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.12 0.968 . . . . 99.99 112.154 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -82.97 -57.39 3.31 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 119.326 -0.369 . . . . 99.99 110.765 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -28.45 41.34 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.469 1.108 . . . . 99.99 111.27 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 139' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' C' ' 135' ' ' ALA . 48.0 t30 -30.42 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.337 2.255 . . . . 99.99 114.655 164.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -152.68 0.01 OUTLIER 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.952 1.301 . . . . 99.99 111.929 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 tp 69.54 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.079 0.952 . . . . 99.99 113.175 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -73.25 127.99 34.22 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.836 0.854 . . . . 99.99 110.015 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 143' ' ' GLN . . . . . 0.815 ' HG2' ' H ' ' E' ' 141' ' ' ALA . 0.0 OUTLIER -171.3 10.18 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.148 0.979 . . . . 99.99 112.779 -173.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -62.42 -45.84 91.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 118.509 0.595 . . . . 99.99 111.865 -170.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 178.97 -75.69 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.34 1.456 . . . . 99.99 108.109 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.02 -70.51 0.99 Allowed Glycine 0 C--N 1.363 2.059 0 C-N-CA 123.925 0.774 . . . . 99.99 114.127 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 71.37 -80.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.994 1.717 . . . . 99.99 111.227 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 62.78 33.35 86.64 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 111.27 -0.732 . . . . 99.99 111.27 -170.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.2 m 68.56 89.94 0.1 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.51 1.524 . . . . 99.99 109.658 -165.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -155.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.296 0.638 . . . . 99.99 110.091 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' C' ' 5' ' ' ASN . 5.4 tp10 -42.99 -77.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.715 1.606 . . . . 99.99 112.1 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 14.9 m80 165.62 -24.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 126.789 2.036 . . . . 99.99 107.914 -165.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 69.54 -67.49 0.22 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.521 1.528 . . . . 99.99 110.85 -169.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.04 -81.81 0.05 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.355 1.062 . . . . 99.99 111.422 -175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 123.472 0.709 . . . . 99.99 109.809 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.47 0.176 . . . . 99.99 110.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -174.35 -41.02 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.422 1.089 . . . . 99.99 109.268 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.467 ' HB3' ' NH1' ' E' ' 84' ' ' ARG . 37.0 tt0 56.99 98.87 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.383 1.873 . . . . 99.99 112.097 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' D' ' 6' ' ' ASN . 8.1 tp-100 -162.6 139.15 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.214 0.606 . . . . 99.99 109.726 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -51.24 -43.56 61.52 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.127 0.971 . . . . 99.99 111.313 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ASN . . . . . 0.445 ' H ' ' HG3' ' D' ' 4' ' ' GLN . 8.3 t30 -61.35 -28.06 68.95 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.012 1.325 . . . . 99.99 112.992 -175.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -62.06 -50.81 70.47 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.224 0.609 . . . . 99.99 111.274 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -109.67 175.08 5.58 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.577 0.751 . . . . 99.99 110.509 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -33.53 125.02 0.42 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.115 1.366 . . . . 99.99 111.695 170.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -104.91 127.65 52.83 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.55 0.74 . . . . 99.99 110.311 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.532 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 76.43 108.519 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' E' ' 305' ' ' ALA . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 79.46 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ARG . . . . . 0.419 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 53.22 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.676 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 19.87 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 8.43 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 36.9 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 4.02 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 7.64 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 5.08 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 7.19 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 13.41 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 12.01 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 20.55 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 22.26 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 34.6 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 31.63 109.61 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 49.29 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 31.29 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 52.79 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 74.77 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.676 ' HB2' HD22 ' E' ' 111' ' ' LEU . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 66.01 109.538 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 77.52 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 38.8 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' E' ' 105' ' ' GLN . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 48.36 111.486 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 52.73 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.71 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 82.32 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 96.95 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 82.8 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 44.56 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.533 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 19.48 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 52.2 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 9.25 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 10.79 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 9.72 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 19.36 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 11.33 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.558 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 29.87 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 24.97 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 27.84 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 11.35 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 10.67 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 7.73 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 11.05 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.642 ' SG ' HG23 ' D' ' 114' ' ' ILE . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 5.05 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.643 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 34.7 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 21.68 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.459 ' O ' HD13 ' D' ' 106' ' ' LEU . 64.2 tp60 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.29 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 43.57 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 77.58 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.506 HG12 HD11 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 88.57 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.506 HD11 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' E' ' 97' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 88.9 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 95.17 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 66.02 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 100' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 54.11 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 40.76 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 34.31 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 28.69 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 61.29 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.628 HG23 HG22 ' E' ' 306' ' ' VAL . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 19.65 109.78 169.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 13.09 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 10.47 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 6.22 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 10.48 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 110' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 4.16 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 10.22 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 113' ' ' CYS . . . . . 0.422 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.39 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.642 HG23 ' SG ' ' D' ' 76' ' ' CYS . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 5.37 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 7.06 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 6.71 110.494 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 5.08 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' D' ' 123' ' ' PHE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 5.65 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 10.21 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.456 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 6.99 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.534 HG23 ' H ' ' E' ' 132' ' ' SER . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 18.26 112.162 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 123' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' D' ' 118' ' ' VAL . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 20.06 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 16.85 111.627 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 14.84 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 76.73 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 20.32 111.66 -168.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' E' ' 122' ' ' THR . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 28.37 110.702 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 32.68 113.506 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' E' ' 120' ' ' TYR . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 69.78 110.396 172.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.51 ' HB2' ' HB3' ' E' ' 310' ' ' PRO . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.633 ' HA ' HD13 ' D' ' 136' ' ' LEU . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 134' ' ' ASP . . . . . 0.637 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 -57.7 -42.45 83.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.465 1.103 . . . . 99.99 111.66 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.633 HD13 ' HA ' ' D' ' 133' ' ' PHE . 7.1 mp -63.43 -51.28 66.39 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.127 0.571 . . . . 99.99 109.956 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.439 ' O ' HD13 ' D' ' 141' ' ' LEU . 80.2 m-85 -67.86 -32.58 73.2 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 99.99 111.858 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 39.2 ttm -53.91 -40.02 66.33 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.595 1.158 . . . . 99.99 111.006 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 139' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 143' ' ' GLN . 41.1 t30 -67.47 -52.32 40.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.786 -1.097 . . . . 99.99 110.617 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.61 -26.13 67.7 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.521 0.934 . . . . 99.99 113.521 -168.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.439 HD13 ' O ' ' D' ' 137' ' ' PHE . 6.7 mp -63.07 -43.02 99.73 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.724 0.81 . . . . 99.99 111.857 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -84.2 5.02 28.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.949 0.5 . . . . 99.99 112.33 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 143' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 139' ' ' ASN . 3.9 pt20 -143.33 48.02 1.48 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.781 0.8 . . . . 99.99 110.569 -176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 144' ' ' GLN . . . . . 0.482 ' HG2' ' HE1' ' E' ' 109' ' ' TYR . 8.3 tp-100 -146.76 -76.85 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 176.65 -66.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.619 1.568 . . . . 99.99 107.323 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.54 167.35 28.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.972 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.39 -50.16 8.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.399 0.68 . . . . 99.99 110.16 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 148' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' E' ' 101' ' ' PRO . . . -82.8 49.98 4.3 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.038 -0.983 . . . . 99.99 112.563 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 41.2 m -81.62 77.91 8.42 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.697 -0.853 . . . . 99.99 108.697 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.91 142.92 12.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.327 -1.306 . . . . 99.99 107.581 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -53.87 -46.17 71.22 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.935 0.894 . . . . 99.99 110.889 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 82.8 t60 77.27 -38.97 0.3 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.992 1.717 . . . . 99.99 112.777 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 60.77 74.05 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.695 1.198 . . . . 99.99 110.244 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -88.66 -59.23 2.29 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.757 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.159 0.583 . . . . 99.99 109.659 -176.562 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.077 -0.342 . . . . 99.99 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -82.27 118.39 23.09 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.866 -0.79 . . . . 99.99 108.866 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' E' ' 83' ' ' ALA . 22.0 mt-30 -114.39 160.54 19.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.975 0.91 . . . . 99.99 111.892 -173.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -77.2 177.73 7.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.233 1.013 . . . . 99.99 111.18 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -73.52 110.33 7.72 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 121.894 0.854 . . . . 99.99 110.948 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.493 HD11 ' H ' ' B' ' 129' ' ' ALA . 10.1 tp -165.68 146.26 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 C-N-CA 124.604 1.162 . . . . 99.99 108.024 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -78.53 163.11 25.83 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 110.05 -0.352 . . . . 99.99 110.05 174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt 65.11 133.35 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.88 1.272 . . . . 99.99 112.226 -174.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.4 -59.13 0.15 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.933 0.493 . . . . 99.99 110.398 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.484 HD13 ' N ' ' E' ' 11' ' ' LEU . 0.6 OUTLIER -163.3 155.78 18.3 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 -171.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' B' ' 44' ' ' LEU . 1.8 pt? -142.97 148.69 46.48 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.231 1.013 . . . . 99.99 109.365 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.03 167.88 26.15 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.304 2.003 . . . . 99.99 112.698 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.39 97.66 3.68 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.624 -0.716 . . . . 99.99 109.145 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 0.5 OUTLIER -129.96 -163.88 1.35 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.839 1.256 . . . . 99.99 109.207 177.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 75.15 114.15 0.06 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 124.113 0.965 . . . . 99.99 110.225 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -72.95 145.34 86.33 Favored Pre-proline 0 N--CA 1.489 1.494 0 CA-C-O 117.688 -1.148 . . . . 99.99 109.909 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -34.88 79.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.399 3.226 1 C-N-CA 125.52 4.146 . . . . 99.99 116.267 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.54 ' H ' ' HE2' ' B' ' 94' ' ' MET . 2.4 t 63.93 -1.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 C-N-CA 127.103 2.161 . . . . 99.99 113.327 175.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 11.8 p -91.61 -74.28 0.51 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.637 -0.665 . . . . 99.99 112.439 -166.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -137.13 94.49 2.96 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.387 0.675 . . . . 99.99 110.305 -169.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 111.19 6.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.065 0.946 . . . . 99.99 112.019 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -163.39 -66.24 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.59 -0.893 . . . . 99.99 108.59 175.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -99.22 150.95 37.19 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 123.178 0.591 . . . . 99.99 110.083 173.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.615 ' HB3' ' HA ' ' E' ' 14' ' ' LEU . 74.4 Cg_endo -79.3 159.5 26.21 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.559 2.173 . . . . 99.99 111.742 161.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 64.45 167.72 0.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.437 1.095 . . . . 99.99 112.074 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mtt -122.64 71.83 39.76 Favored Pre-proline 0 CA--C 1.558 1.267 0 C-N-CA 124.319 1.048 . . . . 99.99 108.884 169.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -36.57 0.9 Allowed 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.997 2.464 . . . . 99.99 113.114 -170.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -111.39 18.7 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 123.857 0.863 . . . . 99.99 109.634 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.29 74.78 10.36 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.512 -0.922 . . . . 99.99 108.512 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 51.29 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.948 1.699 . . . . 99.99 112.744 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -116.12 127.21 54.65 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 107.294 -1.372 . . . . 99.99 107.294 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ARG . . . . . 0.596 ' H ' ' HD2' ' E' ' 32' ' ' ARG . 2.0 mpt_? -76.28 -26.31 55.79 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.84 0.712 . . . . 99.99 110.786 -169.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.87 43.81 17.62 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.251 1.02 . . . . 99.99 110.163 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 83.59 0.28 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.609 -1.178 . . . . 99.99 112.178 -170.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 70.17 -59.48 0.51 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.626 1.97 . . . . 99.99 112.721 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.96 -55.65 0.5 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 112.28 -0.328 . . . . 99.99 112.28 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.82 98.34 7.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.748 0.419 . . . . 99.99 110.305 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.651 HG22 ' H ' ' E' ' 40' ' ' ALA . 2.7 mp 65.16 126.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 C-N-CA 125.51 1.524 . . . . 99.99 111.069 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -86.46 29.26 0.78 Allowed 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 123.549 0.74 . . . . 99.99 112.025 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.651 ' H ' HG22 ' E' ' 38' ' ' ILE . . . -163.61 57.83 0.65 Allowed Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 125.13 1.372 . . . . 99.99 108.331 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -94.54 -150.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.596 2.864 . . . . 99.99 113.339 -164.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' E' ' 46' ' ' ARG . . . -76.56 5.71 43.58 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-N 116.0 -0.546 . . . . 99.99 113.551 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.97 168.38 19.11 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 117.482 0.641 . . . . 99.99 111.599 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 65.19 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.769 1.627 . . . . 99.99 112.003 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.47 -36.04 80.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.31 1.044 . . . . 99.99 108.69 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' E' ' 42' ' ' GLY . 0.2 OUTLIER 65.62 56.67 0.91 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.166 1.387 . . . . 99.99 109.116 -174.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.54 -27.09 65.9 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.693 -1.14 . . . . 99.99 111.82 -174.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 14.3 m -56.28 -23.85 39.18 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.255 1.022 . . . . 99.99 112.293 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.15 85.27 1.57 Allowed Glycine 0 C--N 1.346 1.123 0 N-CA-C 110.116 -1.194 . . . . 99.99 110.116 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.26 92.78 0.12 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.706 0.765 . . . . 99.99 110.737 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.71 -16.4 26.99 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.823 -1.081 . . . . 99.99 110.29 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -77.0 -48.99 16.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.005 . . . . 99.99 113.206 -172.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.71 -56.18 3.86 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 117.669 0.213 . . . . 99.99 111.247 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.85 -69.89 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.912 1.383 . . . . 99.99 111.628 -169.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 43.8 tp 65.75 74.24 0.37 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.792 1.237 . . . . 99.99 109.91 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.2 mtp-105 -92.11 -171.15 2.74 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.324 -1.307 . . . . 99.99 110.277 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -72.46 -21.22 61.26 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.738 0.815 . . . . 99.99 111.468 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 17.1 m -82.06 85.87 6.68 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.781 0.833 . . . . 99.99 111.049 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -155.59 -173.96 4.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.016 0.926 . . . . 99.99 110.472 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 36.8 t -132.57 -78.57 0.5 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.54 -0.911 . . . . 99.99 108.54 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.18 80.68 0.12 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.899 1.28 . . . . 99.99 112.864 165.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.762 ' HG3' ' HA ' ' E' ' 81' ' ' THR . 46.7 mmtm -108.02 148.57 37.72 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 115.116 -0.947 . . . . 99.99 110.474 -175.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.18 76.01 0.34 Allowed 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 123.242 2.628 . . . . 99.99 113.545 -175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' B' ' 132' ' ' ASN . . . 174.67 30.35 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.671 1.588 . . . . 99.99 109.7 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' E' ' 62' ' ' LYS . 27.6 mtpp -82.67 -78.49 0.21 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.562 0.345 . . . . 99.99 111.642 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -129.65 115.26 17.11 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.388 0.614 . . . . 99.99 112.421 -161.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' B' ' 101' ' ' TYR . 5.8 tt -110.08 110.23 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 105.675 -1.972 . . . . 99.99 105.675 153.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 tt -72.17 81.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-O 122.584 1.183 . . . . 99.99 111.329 -170.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -140.3 13.36 2.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.441 1.496 . . . . 99.99 110.122 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.56 159.9 26.68 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 117.845 0.293 . . . . 99.99 111.114 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' E' ' 312' ' ' PRO . 8.4 mt -81.01 -40.36 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.78 37.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.762 -1.335 . . . . 99.99 109.762 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -120.73 104.09 9.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.756 1.223 . . . . 99.99 110.193 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.25 139.83 5.89 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 110.643 -0.983 . . . . 99.99 110.643 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -58.27 2.57 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.38 -163.57 32.54 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.931 -0.577 . . . . 99.99 112.293 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 77' ' ' ASP . . . . . 0.664 ' HA ' ' HB ' ' E' ' 80' ' ' ILE . 5.9 m-20 -81.61 15.63 2.05 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.934 0.894 . . . . 99.99 111.809 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.2 p -66.75 -50.98 61.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.348 1.059 . . . . 99.99 111.116 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -90.64 -28.46 18.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.453 0.701 . . . . 99.99 110.173 175.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.664 ' HB ' ' HA ' ' E' ' 77' ' ' ASP . 65.5 mt -69.81 90.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.172 0.589 . . . . 99.99 109.76 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.762 ' HA ' ' HG3' ' E' ' 62' ' ' LYS . 9.9 t -141.85 128.55 20.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.682 0.793 . . . . 99.99 109.547 175.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.7 -63.2 1.35 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.483 0.713 . . . . 99.99 109.077 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' E' ' 3' ' ' GLN . . . -171.28 141.07 1.54 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.206 1.002 . . . . 99.99 109.538 176.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' D' ' 3' ' ' GLU . 0.9 OUTLIER -169.31 120.54 0.72 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 106.038 -1.838 . . . . 99.99 106.038 -174.272 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -58.64 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.346 1.058 . . . . 99.99 112.556 -166.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -148.04 19.98 1.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.755 1.222 . . . . 99.99 108.696 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 64.82 75.69 0.36 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.305 . . . . 99.99 110.602 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.62 92.36 5.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.441 1.096 . . . . 99.99 110.313 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.69 34.3 0.16 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 116.155 -0.475 . . . . 99.99 112.604 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.95 52.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.564 0.746 . . . . 99.99 110.836 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.21 120.05 8.27 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.475 0.484 . . . . 99.99 112.026 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.04 -172.3 35.65 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -90.03 92.15 8.87 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -122.8 144.37 49.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.475 0.71 . . . . 99.99 109.548 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.02 109.21 16.14 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.473 0.483 . . . . 99.99 109.887 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.43 -20.99 3.79 Favored Glycine 0 CA--C 1.524 0.611 0 O-C-N 123.686 0.616 . . . . 99.99 112.566 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HE3' ' D' ' 94' ' ' MET . 35.9 pt -137.91 -28.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.902 0.881 . . . . 99.99 111.162 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 76.96 -47.92 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.074 1.509 . . . . 99.99 115.074 165.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.23 -79.91 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.101 0.778 . . . . 99.99 113.101 -166.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.467 ' H ' ' HE2' ' D' ' 94' ' ' MET . 3.8 mm? 57.59 71.24 1.12 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.183 0.993 . . . . 99.99 110.215 -167.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 101' ' ' PRO . . . . . 0.407 ' HB2' ' HA3' ' D' ' 148' ' ' GLY . 3.4 Cg_exo -74.78 -8.04 19.92 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.39 2.726 . . . . 99.99 113.476 -174.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.86 -28.48 67.58 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.234 1.414 . . . . 99.99 111.476 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 65.8 p -53.68 119.02 4.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.51 1.124 . . . . 99.99 111.99 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.59 -49.42 0.83 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 110.471 -1.052 . . . . 99.99 110.471 -173.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 105' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' D' ' 48' ' ' SER . 8.6 tp60 56.58 -134.22 1.33 Allowed 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.762 1.225 . . . . 99.99 111.266 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 56.66 50.07 13.37 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 123.965 0.906 . . . . 99.99 109.842 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -66.26 132.52 48.6 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 99.99 112.204 -167.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -74.45 0.81 13.45 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.098 0.959 . . . . 99.99 111.326 171.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.482 ' HE1' ' HG2' ' D' ' 144' ' ' GLN . 13.3 m-30 -55.19 -59.31 4.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.758 1.223 . . . . 99.99 111.475 173.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 179.54 -42.87 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.965 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.676 HD22 ' HB2' ' D' ' 44' ' ' LEU . 25.7 mt -82.68 82.41 8.05 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.2 -170.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -144.65 84.27 1.73 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.609 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.49 -67.79 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.813 2.045 . . . . 99.99 113.135 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -122.25 -155.14 0.63 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.155 0.582 . . . . 99.99 110.231 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -69.39 85.62 0.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.077 0.951 . . . . 99.99 112.598 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.2 -47.23 8.46 Favored Glycine 0 C--N 1.341 0.816 0 N-CA-C 110.182 -1.167 . . . . 99.99 110.182 166.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -167.53 116.93 0.68 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 124.323 1.049 . . . . 99.99 109.507 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -87.35 111.89 0.84 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.899 2.399 . . . . 99.99 111.912 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -150.6 145.23 25.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.3 -1.0 . . . . 99.99 108.3 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' D' ' 131' ' ' VAL . 91.4 m-85 60.77 -156.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.282 1.033 . . . . 99.99 111.463 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.541 HG21 HD11 ' D' ' 44' ' ' LEU . 12.8 t 70.51 8.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 C-N-CA 125.066 1.347 . . . . 99.99 111.652 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 122' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . 10.0 t -144.06 142.02 30.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.462 1.105 . . . . 99.99 108.686 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 -57.27 0.92 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.945 0.498 . . . . 99.99 109.807 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 69.7 m -170.8 -57.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.703 1.201 . . . . 99.99 109.496 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.04 95.78 7.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.81 0.844 . . . . 99.99 112.395 -166.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -163.16 55.53 0.19 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.293 0.637 . . . . 96.83 111.726 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -171.85 140.17 1.24 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 122.78 0.432 . . . . 99.99 111.529 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -162.52 120.54 2.11 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.527 1.131 . . . . 74.48 108.279 171.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -60.63 144.64 51.41 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.53 138.2 5.13 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.143 0.977 . . . . 99.99 110.738 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.454 ' HZ2' HH11 ' C' ' 15' ' ' ARG . 71.3 t90 -157.67 142.54 16.65 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.54 1.136 . . . . 99.99 108.726 174.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 132' ' ' SER . . . . . 0.534 ' H ' HG23 ' D' ' 122' ' ' THR . 89.4 p -97.57 147.72 24.0 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.064 0.765 . . . . 99.99 113.064 -169.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 4.6 t -99.24 105.25 17.27 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.761 0.824 . . . . 99.99 108.873 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.31 -50.52 32.33 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.576 . . . . 89.58 111.92 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.824 HG21 HD22 ' E' ' 468' ' ' LEU . 9.9 p 43.7 -135.45 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.635 1.974 . . . . 99.99 112.866 176.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.568 ' HB2' HD13 ' C' ' 13' ' ' ILE . 33.7 mtmm 81.51 116.91 0.06 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.857 1.663 . . . . 99.99 112.458 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 32.3 m -70.57 146.77 49.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.333 1.053 . . . . 99.99 109.327 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.35 119.1 8.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.129 0.571 . . . . 99.99 111.376 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.52 136.51 40.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.23 0.612 . . . . 99.99 109.95 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.418 ' H ' ' HB2' ' A' ' 132' ' ' ASN . . . -85.73 -177.09 50.28 Favored Glycine 0 CA--C 1.524 0.655 0 O-C-N 123.666 0.604 . . . . 99.99 112.138 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.815 ' H ' ' HG2' ' C' ' 143' ' ' GLN . . . -91.8 -166.97 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.05 1.34 . . . . 99.99 112.208 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.88 -66.79 0.53 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.097 -1.075 . . . . 99.99 108.097 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 143' ' ' GLY . . . . . 0.519 ' HA3' ' HG3' ' A' ' 138' ' ' MET . . . 163.12 144.72 4.11 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.13 0.812 . . . . 99.99 115.13 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.44 137.19 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 107.384 -1.339 . . . . 99.99 107.384 164.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.1 107.05 10.39 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 121.704 0.764 . . . . 99.99 110.505 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 pt -169.01 105.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.794 2.037 . . . . 99.99 106.409 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 147' ' ' HIS . . . . . 0.583 ' HB3' ' HE3' ' E' ' 149' ' ' LYS . 21.8 m80 -65.17 90.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.697 0.76 . . . . 99.99 111.363 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 148' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' E' ' 148' ' ' GLU . 0.5 OUTLIER -58.7 102.49 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.314 1.845 . . . . 99.99 111.39 171.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.583 ' HE3' ' HB3' ' E' ' 147' ' ' HIS . 96.9 mttt -127.25 100.79 6.22 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.383 -0.969 . . . . 99.99 108.383 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -112.77 120.34 41.15 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.266 1.026 . . . . 99.99 109.435 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 151' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' E' ' 369' ' ' GLU . 45.2 t60 -69.65 -61.57 3.02 Favored Pre-proline 0 CA--C 1.566 1.594 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -169.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.69 -37.68 27.48 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.549 2.166 . . . . 99.99 113.562 -162.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.3 m 59.44 48.98 9.2 Favored 'General case' 0 CA--C 1.568 1.673 0 O-C-N 124.54 1.15 . . . . 99.99 110.707 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 86.5 mt -88.77 -40.42 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 114.998 -1.001 . . . . 99.99 111.599 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.14 -5.71 40.96 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.341 0.656 . . . . 99.99 111.327 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 156' ' ' GLU . . . . . 0.461 ' HG3' ' HG2' ' C' ' 3' ' ' GLU . 8.9 tp10 -62.9 77.04 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 126.213 1.805 . . . . 99.99 111.509 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.656 ' SD ' ' HG2' ' C' ' 4' ' ' GLN . 39.7 ttm 57.34 -66.31 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.279 2.231 . . . . 99.99 116.152 173.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 83.03 37.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.174 1.79 . . . . 99.99 109.716 -173.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -67.45 -42.16 83.54 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.656 -1.156 . . . . 99.99 110.182 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.27 69.76 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.87 0.868 . . . . 99.99 111.218 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -79.25 -1.14 35.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.385 0.674 . . . . 99.99 112.229 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -134.05 73.95 0.44 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 111.333 -0.707 . . . . 99.99 111.333 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.9 -70.21 0.37 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 62.91 -74.81 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.41 1.484 . . . . 99.99 113.239 171.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.4 t -62.55 125.16 22.98 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.225 1.01 . . . . 99.99 112.008 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -103.93 10.64 52.2 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 115.481 -0.781 . . . . 99.99 111.536 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 9.4 m120 64.13 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.633 1.573 . . . . 99.99 110.776 -173.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 3.0 p -102.91 117.5 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 108.593 -0.891 . . . . 99.99 108.593 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 33.8 m -77.04 -45.86 25.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.641 0.777 . . . . 99.99 111.335 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 170' ' ' THR . . . . . 0.616 HG23 HD21 ' E' ' 173' ' ' LEU . 91.6 m 64.6 103.41 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.44 1.096 . . . . 99.99 111.489 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -135.35 -79.8 0.43 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.733 0.413 . . . . 99.99 111.611 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.6 -59.59 4.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.56 1.144 . . . . 99.99 112.547 -169.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 173' ' ' LEU . . . . . 0.616 HD21 HG23 ' E' ' 170' ' ' THR . 91.5 mt 59.05 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.114 1.366 . . . . 99.99 113.231 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.513 ' H ' ' HE2' ' E' ' 404' ' ' LYS . 6.5 tp-100 -133.57 135.25 44.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.617 0.767 . . . . 99.99 111.555 -171.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -175.79 -73.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.903 1.281 . . . . 99.99 108.833 167.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -96.35 115.69 27.83 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.972 0.909 . . . . 99.99 110.394 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 40.4 p -132.54 164.39 43.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.944 1.298 . . . . 99.99 108.901 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.55 110.67 0.76 Allowed 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 122.05 1.833 . . . . 99.99 110.856 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.79 -72.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.387 0.675 . . . . 99.99 110.746 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.09 31.1 21.01 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.103 0.961 . . . . 99.99 111.364 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 53.8 tp -103.49 160.19 14.93 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.774 1.23 . . . . 99.99 110.42 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 3.6 p -78.3 103.2 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.021 0.528 . . . . 99.99 110.49 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 183' ' ' ALA . . . . . 0.425 ' HB1' ' HA2' ' E' ' 229' ' ' GLY . . . 179.05 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.803 1.241 . . . . 99.99 109.135 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -157.14 -73.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.458 0.303 . . . . 99.99 111.47 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 96.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 6.4 t -70.68 114.69 9.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 172.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 34.1 t -161.44 166.87 26.62 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.283 0.633 . . . . 99.99 109.557 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 65.05 12.23 7.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.833 1.253 . . . . 99.99 110.67 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 189' ' ' LYS . . . . . 0.554 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 20.5 pttp 34.21 -75.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 127.716 2.406 . . . . 99.99 114.691 -176.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 190' ' ' CYS . . . . . 0.554 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 33.6 m -86.11 20.48 2.29 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.789 1.236 . . . . 99.99 112.108 -172.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 191' ' ' TYR . . . . . 0.562 ' HB3' ' HD2' ' E' ' 193' ' ' PRO . 88.4 m-85 68.07 155.63 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.069 1.348 . . . . 99.99 112.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.65 43.77 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.72 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 193' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' E' ' 191' ' ' TYR . 27.5 Cg_endo -88.2 63.61 3.32 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.83 2.353 . . . . 99.99 112.243 178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.1 m -63.38 -43.79 96.59 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.294 0.569 . . . . 99.99 110.418 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.57 87.04 1.55 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.724 -1.125 . . . . 99.99 108.094 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 38.4 p -118.76 -13.55 9.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.205 1.002 . . . . 99.99 110.192 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.9 m -56.48 145.39 27.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.788 1.235 . . . . 99.99 112.58 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 65.33 86.61 0.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.301 1.441 . . . . 99.99 112.158 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 14.42 6.38 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.666 1.186 . . . . 99.99 113.754 169.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' E' ' 219' ' ' ASN . 19.9 m 67.24 143.25 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.105 1.362 . . . . 99.99 111.295 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' E' ' 218' ' ' LEU . 51.6 Cg_exo -56.15 -25.98 57.98 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.899 2.399 . . . . 99.99 113.052 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.26 74.64 2.41 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.255 -0.738 . . . . 99.99 111.255 171.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -143.83 -169.96 3.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.986 0.914 . . . . 99.99 109.541 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 66.25 -82.54 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.126 1.37 . . . . 99.99 110.59 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.2 mp -76.52 98.96 4.79 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 171.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 165.49 19.4 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.263 0.625 . . . . 99.99 110.183 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 63.52 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 125.013 1.325 . . . . 99.99 110.951 -171.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -63.65 -20.5 63.96 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.775 0.702 . . . . 99.99 113.511 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -62.78 -32.63 84.38 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 112.312 -0.315 . . . . 99.99 112.312 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 210' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' E' ' 213' ' ' ILE . 4.1 ttmp? 61.99 30.85 18.1 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.243 1.017 . . . . 99.99 110.055 174.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.54 -25.45 65.39 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 114.714 -1.13 . . . . 99.99 112.911 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 212' ' ' SER . . . . . 0.633 ' HA ' HD23 ' E' ' 217' ' ' LEU . 12.9 p -78.7 -79.52 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.439 0.696 . . . . 99.99 111.2 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.42 HD11 ' HG2' ' E' ' 210' ' ' LYS . 49.6 mt 54.83 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 125.49 1.516 . . . . 99.99 112.054 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.6 t -134.5 -160.87 1.09 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.297 1.439 . . . . 99.99 108.343 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.8 -16.86 31.37 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.032 1.123 . . . . 99.99 114.032 -173.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -55.52 -55.95 25.93 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.91 0.884 . . . . 99.99 111.812 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' E' ' 212' ' ' SER . 95.1 mt 58.35 17.03 4.45 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.546 0.943 . . . . 99.99 113.546 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 218' ' ' LEU . . . . . 0.587 ' HB3' ' HD2' ' E' ' 201' ' ' PRO . 4.5 mm? 55.52 31.79 17.76 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 124.122 0.969 . . . . 99.99 111.326 -173.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 219' ' ' ASN . . . . . 0.687 ' HB2' ' SG ' ' E' ' 200' ' ' CYS . 44.8 t30 -154.25 85.69 1.15 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.273 1.029 . . . . 99.99 108.71 -174.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -138.85 122.81 17.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.811 0.444 . . . . 99.99 111.066 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 66.35 95.03 0.06 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.861 1.264 . . . . 99.99 111.898 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -94.36 97.27 10.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.527 0.731 . . . . 99.99 109.972 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 2.3 p30 48.49 20.04 0.28 Allowed 'General case' 0 N--CA 1.513 2.676 0 C-N-CA 126.214 1.805 . . . . 99.99 114.204 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.612 HG22 ' H ' ' E' ' 225' ' ' THR . 9.2 p -81.06 -149.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.572 1.803 0 C-N-CA 125.459 1.504 . . . . 99.99 108.858 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 225' ' ' THR . . . . . 0.612 ' H ' HG22 ' E' ' 224' ' ' VAL . 15.1 t -24.89 149.96 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.416 1.886 . . . . 99.99 115.492 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.6 mt 85.14 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.805 2.042 . . . . 99.99 108.59 -161.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 70.66 166.05 6.19 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 115.447 -0.797 . . . . 99.99 113.024 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -88.42 70.8 2.57 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.136 -0.786 . . . . 99.99 111.136 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 229' ' ' GLY . . . . . 0.425 ' HA2' ' HB1' ' E' ' 183' ' ' ALA . . . -69.66 83.24 0.29 Allowed Glycine 0 C--N 1.357 1.719 0 N-CA-C 111.625 -0.59 . . . . 99.99 111.625 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.6 -65.34 1.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.788 0.835 . . . . 99.99 111.382 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 60.91 -80.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.854 1.262 . . . . 99.99 110.386 -169.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 35.4 m 55.14 78.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.443 1.097 . . . . 99.99 110.544 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 233' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' E' ' 237' ' ' ALA . 86.7 m-85 62.49 -80.65 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.035 1.334 . . . . 99.99 111.124 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.39 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.704 1.601 . . . . 99.99 112.354 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.7 -61.61 1.86 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 93.1 m -158.21 -39.08 0.07 Allowed 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.426 1.09 . . . . 99.99 110.361 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 237' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' E' ' 233' ' ' PHE . . . 64.52 81.37 0.21 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.473 1.509 . . . . 99.99 109.656 -161.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 45.3 p -86.38 9.04 19.2 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.517 0.727 . . . . 99.99 112.018 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -66.45 104.57 1.27 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.14 0.576 . . . . 99.99 109.742 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.99 70.46 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.452 0.47 . . . . 99.99 112.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 62.55 -103.68 0.13 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.867 1.267 . . . . 99.99 110.177 -171.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 87.0 t90 176.43 -48.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.644 1.178 . . . . 99.99 108.502 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -85.02 149.69 25.4 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.66 -0.7 . . . . 99.99 111.036 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -90.54 153.74 22.86 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.492 0.495 . . . . 99.99 112.683 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.21 68.21 9.83 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 99.99 110.056 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 23.7 p -72.3 -42.79 65.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.618 -0.719 . . . . 99.99 110.379 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 2.8 mm? -61.96 -22.32 65.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.855 0.862 . . . . 99.99 111.977 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -50.32 -33.41 20.11 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.76 1.224 . . . . 99.99 113.801 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.98 -17.37 56.84 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.468 0.914 . . . . 99.99 113.468 -173.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 29.7 pt20 -74.44 -46.43 39.99 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.848 0.356 . . . . 99.99 110.425 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.56 35.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.36 1.064 . . . . 99.99 111.655 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -53.97 -58.44 7.3 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.512 1.125 . . . . 99.99 112.226 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.31 -66.9 0.84 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.739 0.304 . . . . 99.99 110.337 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -144.61 -69.41 0.3 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.705 0.802 . . . . 99.99 109.153 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -165.91 163.64 36.89 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 115.203 -0.908 . . . . 99.99 111.135 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 62.5 t80 67.77 -82.38 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.725 1.21 . . . . 99.99 111.519 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 171.74 68.73 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 106.704 -1.591 . . . . 99.99 106.704 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 75.3 mt 63.69 171.02 0.17 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.41 1.084 . . . . 99.99 111.774 -174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 43.3 t 65.74 -70.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.415 1.486 . . . . 99.99 112.26 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 25.1 t 70.66 169.44 0.31 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.751 1.621 . . . . 99.99 110.412 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 261' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' E' ' 264' ' ' SER . 28.3 m-20 -87.57 58.58 5.0 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.004 0.521 . . . . 99.99 109.875 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.632 0.773 . . . . 99.99 111.712 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -86.85 1.18 53.32 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.53 0.732 . . . . 99.99 112.823 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 264' ' ' SER . . . . . 0.638 ' HB2' ' HB3' ' E' ' 261' ' ' ASP . 42.6 t -63.41 101.94 0.37 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.453 0.701 . . . . 99.99 112.029 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.76 71.41 0.34 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.566 1.546 . . . . 99.99 111.603 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 66.02 -82.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.439 1.496 . . . . 99.99 110.433 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 267' ' ' SER . . . . . 0.544 ' HB2' ' HG2' ' E' ' 275' ' ' LYS . 49.6 m -155.93 27.98 0.37 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.124 0.57 . . . . 99.99 111.162 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.47 -5.92 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 112.006 0.372 . . . . 99.99 112.006 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 2.5 t -74.25 77.89 1.82 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.187 0.995 . . . . 99.99 111.709 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 57.69 -96.66 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.389 1.475 . . . . 99.99 114.182 164.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.43 47.35 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.153 0.581 . . . . 99.99 111.825 -171.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.52 -8.96 58.1 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.446 0.698 . . . . 99.99 111.752 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.47 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.036 0.935 . . . . 99.99 112.801 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -94.85 -4.51 46.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.469 1.108 . . . . 99.99 109.189 166.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' E' ' 267' ' ' SER . 31.2 mmmt -70.2 166.95 29.07 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.383 1.473 . . . . 99.99 111.261 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -35.21 86.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.397 3.1 0 C-N-CA 125.15 3.9 . . . . 99.99 115.398 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' C' ' 86' ' ' ILE . 0.2 OUTLIER -155.2 28.78 0.4 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 124.615 1.166 . . . . 99.99 108.423 178.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -157.75 0.41 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.823 -1.547 . . . . 99.99 106.823 175.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 279' ' ' GLY . . . . . 0.683 ' HA3' ' HA ' ' E' ' 356' ' ' ASN . . . 91.04 43.72 4.64 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 114.653 0.621 . . . . 99.99 114.653 172.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.505 ' HB2' ' HB1' ' C' ' 95' ' ' ALA . 4.2 tt -162.9 90.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.026 -0.731 . . . . 99.99 109.026 170.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.624 ' HB2' ' HB2' ' E' ' 352' ' ' ASP . 0.7 OUTLIER -163.03 169.81 18.97 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.169 1.788 . . . . 99.99 108.005 170.201 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . 60.5 109.21 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.675 1.19 . . . . 99.99 111.132 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 82.63 -31.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 126.267 1.827 . . . . 99.99 110.522 -165.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.85 63.33 Favored Glycine 0 C--N 1.364 2.111 0 C-N-CA 123.253 0.454 . . . . 99.99 112.532 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 285' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' C' ' 44' ' ' LEU . 11.6 p-10 -72.26 93.75 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.934 -0.765 . . . . 99.99 108.934 166.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' E' ' 287' ' ' PRO . 62.1 mtm -65.23 139.42 97.54 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.696 1.199 . . . . 99.99 111.478 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 287' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' E' ' 286' ' ' MET . 52.4 Cg_exo -56.44 126.06 21.09 Favored 'Trans proline' 0 C--N 1.386 2.507 0 C-N-CA 123.818 3.012 . . . . 99.99 114.082 -175.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 98.9 t -126.68 133.12 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.854 1.262 . . . . 99.99 110.376 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.38 164.92 11.71 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.509 0.724 . . . . 99.99 109.684 170.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.51 ' HE3' HD22 ' C' ' 42' ' ' LEU . 72.9 t-105 -76.21 144.92 40.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.081 0.552 . . . . 99.99 109.877 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.26 120.33 0.87 Allowed Glycine 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.95 166.88 28.57 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.01 2.473 . . . . 99.99 112.139 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -156.26 172.25 18.79 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.477 0.711 . . . . 99.99 111.312 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -87.01 35.51 0.7 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.406 -1.27 . . . . 99.99 110.644 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.59 HG21 ' HB3' ' C' ' 126' ' ' LEU . 58.0 m -43.52 -46.86 7.14 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.119 1.768 . . . . 99.99 113.019 -173.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.624 ' HE1' HD11 ' E' ' 301' ' ' ILE . 6.1 t80 -74.86 89.1 2.33 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.134 -0.939 . . . . 99.99 110.875 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 298' ' ' HIS . . . . . 0.568 ' H ' ' HG2' ' C' ' 124' ' ' PRO . 26.9 m80 -105.01 170.32 7.93 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.747 1.219 . . . . 99.99 110.408 174.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 299' ' ' GLY . . . . . 0.419 ' HA2' ' HZ3' ' C' ' 36' ' ' TRP . . . -93.77 98.8 2.4 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.445 -0.798 . . . . 99.99 114.091 -171.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -157.99 75.39 0.76 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.838 -1.541 . . . . 99.99 106.838 163.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.624 HD11 ' HE1' ' E' ' 297' ' ' TYR . 34.5 mt -126.85 86.91 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-N 115.223 -0.899 . . . . 99.99 108.593 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.0 134.56 4.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.451 0.701 . . . . 99.99 110.329 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -140.28 133.4 14.96 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.394 1.078 . . . . 99.99 108.529 173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.94 -168.76 0.64 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.218 2.612 . . . . 99.99 113.613 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' D' ' 13' ' ' ILE . . . -65.43 129.71 40.73 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.927 0.891 . . . . 99.99 111.358 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.628 HG22 HG23 ' D' ' 105' ' ' ILE . 1.5 m -103.96 155.71 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.054 0.542 . . . . 99.99 110.364 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 1.9 p -85.43 111.57 20.07 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.068 -0.715 . . . . 99.99 109.068 168.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 18.5 p -87.31 164.78 16.08 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.639 0.776 . . . . 99.99 110.499 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 39.3 p -110.44 95.46 22.65 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.665 0.786 . . . . 99.99 109.572 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 310' ' ' PRO . . . . . 0.51 ' HB3' ' HB2' ' D' ' 132' ' ' ASN . 27.1 Cg_exo -66.02 -45.22 6.24 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.391 2.06 . . . . 99.99 112.672 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 9.9 t30 37.64 76.72 0.44 Allowed Pre-proline 0 N--CA 1.497 1.917 0 C-N-CA 125.546 1.538 . . . . 99.99 113.177 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' E' ' 71' ' ' ILE . 93.2 Cg_endo -79.65 -22.85 7.51 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.547 2.165 . . . . 99.99 113.224 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 58.25 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.623 1.169 . . . . 99.99 108.749 -162.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.41 62.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 104.881 -2.266 . . . . 99.99 104.881 167.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 20.0 m120 76.8 -51.53 0.57 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.176 1.791 . . . . 99.99 110.895 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 16.7 t70 73.98 -73.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.633 1.573 . . . . 99.99 111.593 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 17.6 m -63.98 140.56 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.336 0.654 . . . . 99.99 110.054 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.59 128.38 93.76 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 109.495 -0.557 . . . . 99.99 109.495 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.83 86.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.39 2.714 0 C-N-CA 122.978 2.452 . . . . 99.99 112.63 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 6.4 m 61.68 -78.36 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.403 1.481 . . . . 99.99 111.526 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 tt 63.45 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.192 0 C-N-CA 125.475 1.51 . . . . 99.99 108.809 -171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -134.42 -16.47 2.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.259 0.624 . . . . 99.99 111.161 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -70.49 79.39 0.57 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.167 0.987 . . . . 99.99 110.548 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 171.68 -52.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.22 1.808 . . . . 99.99 107.198 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.8 t -147.44 58.31 1.14 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.522 1.153 . . . . 99.99 109.294 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -73.48 90.43 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.49 -1.232 . . . . 99.99 110.923 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.582 ' HB3' ' HB2' ' E' ' 330' ' ' GLU . 16.1 tptp 71.33 151.53 0.1 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.0 1.72 . . . . 99.99 111.419 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.6 -77.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.978 0.511 . . . . 99.99 111.901 -171.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.12 -19.97 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 112.28 0.474 . . . . 99.99 112.28 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' E' ' 327' ' ' LYS . 48.4 mm-40 -69.55 -35.81 75.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.366 0.667 . . . . 99.99 111.382 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 38.2 tp -64.87 -34.24 77.91 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.051 0.54 . . . . 99.99 110.667 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.67 -91.61 0.1 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 t 52.31 27.4 4.76 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.895 1.278 . . . . 99.99 112.939 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt 74.34 -40.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.352 1.461 . . . . 99.99 111.403 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.48 91.22 1.77 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.324 1.05 . . . . 99.99 109.806 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 -157.09 0.75 Allowed 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.481 1.112 . . . . 99.99 108.454 173.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 66.04 92.97 0.07 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.104 0.961 . . . . 99.99 110.321 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.37 68.61 3.43 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.947 -0.569 . . . . 99.99 112.201 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -136.93 -75.34 0.42 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.963 0.905 . . . . 99.99 109.952 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -126.63 77.01 1.68 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.053 0.541 . . . . 99.99 109.99 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 49.5 tp 62.43 -85.43 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.692 1.197 . . . . 99.99 112.005 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -124.38 -73.76 0.63 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.701 -1.592 . . . . 99.99 106.701 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.2 157.06 41.5 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 C-N-CA 124.679 1.191 . . . . 99.99 108.257 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.16 114.29 11.18 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.328 -0.619 . . . . 99.99 109.328 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -158.42 83.98 0.13 Allowed Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.035 -0.826 . . . . 99.99 111.035 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -82.5 -23.92 34.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.377 0.671 . . . . 99.99 110.823 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 16.2 t 62.5 31.31 17.1 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.887 1.275 . . . . 99.99 110.992 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.8 113.27 43.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 N-CA-C 108.698 -0.853 . . . . 99.99 108.698 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.2 110.98 2.38 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 107.964 -1.124 . . . . 99.99 107.964 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -82.76 44.6 0.92 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.955 0.902 . . . . 99.99 110.5 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -98.73 89.9 4.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.153 0.981 . . . . 99.99 108.581 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 352' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' E' ' 281' ' ' PHE . 3.9 p-10 -69.43 -17.6 63.66 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.249 1.02 . . . . 99.99 112.336 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.75 -9.01 45.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.731 0.812 . . . . 99.99 111.457 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -69.35 162.64 26.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.774 0.43 . . . . 99.99 110.862 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.38 -59.35 0.56 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.295 1.438 . . . . 99.99 111.536 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 356' ' ' ASN . . . . . 0.683 ' HA ' ' HA3' ' E' ' 279' ' ' GLY . 0.1 OUTLIER 68.78 150.82 0.12 Allowed Pre-proline 0 N--CA 1.487 1.411 0 C-N-CA 125.981 1.713 . . . . 99.99 111.381 175.669 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' C' ' 95' ' ' ALA . 73.0 Cg_endo -76.43 44.39 1.37 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.922 2.415 . . . . 99.99 114.262 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 16.2 p -75.43 -6.6 50.9 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.366 0.666 . . . . 99.99 111.514 173.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -73.43 170.68 52.22 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.204 0.315 . . . . 99.99 112.714 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -156.17 144.08 19.61 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.489 -0.56 . . . . 99.99 109.489 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 11.6 tt -75.41 125.69 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.034 0.445 . . . . 99.99 110.266 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 362' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' E' ' 427' ' ' SER . . . -101.44 78.82 0.39 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.122 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.92 179.56 8.56 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 119.007 -0.521 . . . . 99.99 111.585 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 86.4 m 86.64 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 127.189 2.196 . . . . 99.99 111.169 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 22.8 m -131.24 171.09 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.175 0.99 . . . . 99.99 109.902 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.82 117.97 4.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.079 0.952 . . . . 99.99 112.319 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 367' ' ' LEU . . . . . 0.63 HD23 ' H ' ' E' ' 367' ' ' LEU . 1.7 pt? -75.88 -14.6 60.27 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.098 0.777 . . . . 99.99 113.098 -174.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.67 -20.23 61.97 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.474 0.71 . . . . 99.99 111.259 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' E' ' 151' ' ' HIS . 25.0 tt0 -53.28 -23.65 9.56 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.658 1.183 . . . . 99.99 112.155 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.53 38.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.983 0.913 . . . . 99.99 112.736 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.88 -40.09 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.13 0.972 . . . . 99.99 111.195 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -66.45 -39.99 89.16 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.078 0.551 . . . . 99.99 110.395 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -36.76 78.37 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.398 -0.819 . . . . 99.99 108.976 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.92 -30.28 69.56 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.555 0.742 . . . . 99.99 111.7 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.53 -54.89 13.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.275 1.03 . . . . 99.99 109.785 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -23.0 61.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.177 0.591 . . . . 99.99 112.34 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.63 -50.08 34.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.52 66.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.203 0.601 . . . . 99.99 111.869 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -36.48 83.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.259 1.024 . . . . 99.99 109.852 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -62.42 99.77 0.16 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -142.06 -35.97 0.43 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.695 1.198 . . . . 99.99 108.512 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 86.18 -76.12 2.18 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.209 -0.905 . . . . 99.99 112.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -162.96 -30.9 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.674 0.39 . . . . 99.99 111.342 -170.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 64.0 p 67.98 -51.65 0.53 Allowed 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 126.815 2.046 . . . . 99.99 112.813 -174.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.53 73.46 0.75 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.93 0.892 . . . . 99.99 109.682 172.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 22.4 m -118.08 103.12 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-O 121.868 0.842 . . . . 99.99 109.64 -175.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 68.7 mt -126.54 98.44 4.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 17.8 m -111.7 122.93 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.454 1.101 . . . . 99.99 109.652 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 85.2 m -143.86 109.54 5.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.866 0.866 . . . . 99.99 108.808 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -155.84 89.22 1.15 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.66 119.04 19.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 99.99 109.366 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -156.13 -48.03 0.08 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.257 1.423 . . . . 99.99 108.622 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -146.68 89.18 1.81 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.374 0.67 . . . . 99.99 110.46 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -84.33 -33.38 23.9 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.019 0.528 . . . . 99.99 110.524 173.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -78.52 -62.37 1.71 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.305 0.642 . . . . 99.99 111.52 -174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 30.5 t 62.29 -75.26 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.012 1.325 . . . . 99.99 110.151 -167.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 66.42 -70.83 0.1 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.304 1.441 . . . . 99.99 112.641 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 16.6 pt 52.31 25.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 126.782 2.033 . . . . 99.99 113.501 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 45.9 t 55.39 79.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.744 1.218 . . . . 99.99 109.917 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.412 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -149.16 -46.11 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.181 0.993 . . . . 99.99 110.832 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 32.0 Cg_exo -63.15 175.5 2.5 Favored 'Trans proline' 0 C--N 1.399 3.197 0 C-N-CA 122.22 1.946 . . . . 99.99 112.765 165.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.0 -38.6 7.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.597 1.159 . . . . 99.99 112.5 172.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m 71.03 151.05 0.1 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.884 1.274 . . . . 99.99 111.564 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.513 ' HE2' ' H ' ' E' ' 174' ' ' GLN . 0.0 OUTLIER 75.78 -63.15 0.41 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.504 1.521 . . . . 99.99 110.759 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.33 99.78 22.27 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.792 0.837 . . . . 99.99 109.849 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.02 -22.64 22.66 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.765 2.31 . . . . 99.99 111.66 170.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.24 89.79 1.62 Allowed Glycine 0 C--N 1.348 1.229 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 408' ' ' LEU . . . . . 0.409 HD12 HE22 ' E' ' 410' ' ' GLN . 2.5 mm? -75.73 90.85 2.88 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.029 0.532 . . . . 99.99 109.896 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 40.1 p -70.12 -22.77 62.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.792 -1.095 . . . . 99.99 112.295 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 410' ' ' GLN . . . . . 0.409 HE22 HD12 ' E' ' 408' ' ' LEU . 20.3 pm0 -67.05 -18.91 65.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.252 0.621 . . . . 99.99 111.28 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -118.71 91.03 3.46 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.955 0.902 . . . . 99.99 108.577 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 57.6 tp -87.48 -67.74 0.8 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 99.99 110.687 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 75.25 -50.85 0.65 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.618 1.567 . . . . 99.99 113.501 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 75.7 p 55.21 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.524 1.53 . . . . 99.99 111.993 -170.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.91 170.87 8.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.446 1.098 . . . . 99.99 110.521 -174.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 416' ' ' ASP . . . . . 0.402 ' O ' HG12 ' E' ' 419' ' ' VAL . 6.3 m-20 -96.45 -0.0 49.76 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.752 0.821 . . . . 99.99 110.812 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -66.07 80.6 0.1 Allowed Glycine 0 C--N 1.359 1.852 0 C-N-CA 123.43 0.538 . . . . 99.99 112.892 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -171.8 -38.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.333 1.453 . . . . 99.99 108.668 -175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 419' ' ' VAL . . . . . 0.402 HG12 ' O ' ' E' ' 416' ' ' ASP . 13.3 p -67.57 -31.7 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-N 115.12 -0.945 . . . . 99.99 110.722 176.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.7 ttp -146.95 117.72 7.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.415 1.086 . . . . 99.99 108.19 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.48 31.44 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.861 0.864 . . . . 99.99 109.694 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 52.3 ttm 79.63 -43.98 0.29 Allowed 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 126.224 1.81 . . . . 99.99 112.164 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 35.7 p -64.23 104.22 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.285 0.634 . . . . 99.99 110.242 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -130.24 -59.5 1.04 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.69 0.796 . . . . 99.99 109.781 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -150.42 67.09 0.35 Allowed Glycine 0 C--N 1.348 1.233 0 CA-C-N 116.207 -0.451 . . . . 99.99 112.241 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.6 -72.44 0.36 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.229 -1.026 . . . . 99.99 108.229 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 427' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' E' ' 362' ' ' GLY . 66.9 p 44.55 61.67 2.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.808 1.643 . . . . 99.99 114.616 174.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.11 49.11 1.37 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.47 -30.38 71.41 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.532 0.733 . . . . 99.99 110.851 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.94 -34.23 74.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.588 0.755 . . . . 99.99 110.535 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 15.0 m -85.95 -23.51 26.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.726 0.81 . . . . 99.99 110.498 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.47 -43.51 80.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.743 0.817 . . . . 99.99 109.607 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 67.31 108.7 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.1 1.36 . . . . 99.99 111.54 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -71.16 -55.44 8.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.231 1.013 . . . . 99.99 111.337 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m 44.98 -91.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.181 1.392 . . . . 99.99 112.058 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 68.75 96.18 0.05 OUTLIER Glycine 0 C--N 1.354 1.568 0 CA-C-O 119.953 -0.359 . . . . 99.99 113.378 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.1 p -86.27 116.97 24.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.093 0.557 . . . . 99.99 110.725 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -118.09 106.08 12.51 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.959 -0.756 . . . . 99.99 108.959 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.42 157.64 16.12 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.726 0.81 . . . . 99.99 110.493 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' E' ' 440' ' ' ARG . 23.0 ttm-85 70.36 -73.32 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.174 1.39 . . . . 99.99 111.524 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.8 mt 74.22 -60.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 125.619 1.567 . . . . 99.99 112.797 174.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -75.19 84.7 2.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.56 0.744 . . . . 99.99 111.492 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 61.65 -179.46 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.114 1.366 . . . . 99.99 113.313 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -102.94 -26.27 13.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.24 0.616 . . . . 99.99 110.116 169.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 34.81 -146.58 0.03 OUTLIER Glycine 0 CA--C 1.548 2.112 0 N-CA-C 116.617 1.407 . . . . 99.99 116.617 -171.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.22 141.03 50.76 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 123.586 2.857 . . . . 99.99 112.844 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 447' ' ' HIS . . . . . 0.867 ' HA ' ' HB ' ' A' ' 10' ' ' THR . 21.7 p80 -99.37 -35.65 9.86 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.08 0.77 . . . . 99.99 113.08 -173.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 65.1 -173.51 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.41 1.084 . . . . 99.99 112.179 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -155.21 116.9 4.07 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -153.7 -53.57 0.1 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.366 0.876 . . . . 99.99 113.366 -171.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 88' ' ' GLY . 11.9 p -109.37 147.32 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 118.226 0.466 . . . . 99.99 111.19 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.3 p -61.76 144.39 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.944 1.298 . . . . 99.99 112.244 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . -110.7 170.56 14.02 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.614 -0.721 . . . . 99.99 112.11 174.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 98' ' ' LEU . 40.0 tp 61.89 95.13 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.351 1.46 . . . . 99.99 111.84 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 26.4 m -76.37 -65.35 0.94 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 172.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -143.82 163.79 32.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.754 1.221 . . . . 99.99 108.428 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -92.1 107.41 19.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 19.9 m -68.21 136.73 54.03 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.215 0.606 . . . . 99.99 110.174 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.81 156.57 35.19 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.974 0.51 . . . . 99.99 110.231 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 45' ' ' ASP . 3.6 mm? -84.74 174.41 9.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.767 0.794 . . . . 99.99 112.059 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -104.44 -172.47 2.11 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.247 -1.342 . . . . 99.99 109.763 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -56.12 147.87 19.32 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.316 1.046 . . . . 99.99 113.66 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 67.9 p -104.3 138.38 40.82 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.018 -1.104 . . . . 99.99 108.018 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.06 159.82 37.72 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.2 0.6 . . . . 99.99 110.859 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 42.0 mtmt -122.85 112.06 17.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 170.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -111.54 102.27 10.62 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -74.88 117.39 16.67 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.919 -1.141 . . . . 99.99 107.919 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.824 HD22 HG21 ' E' ' 135' ' ' VAL . 14.7 mt -78.38 -4.16 46.78 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.524 0.73 . . . . 99.99 111.624 -170.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.16 -55.53 1.11 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 110.684 -0.967 . . . . 99.99 110.684 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.593 ' HG ' ' HD2' ' A' ' 38' ' ' PRO . 2.6 mm? 57.6 13.82 2.09 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.438 1.095 . . . . 99.99 111.799 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.248 0.988 0 N-CA-C 108.234 -1.024 . . . . 99.99 108.234 -169.489 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' N ' ' SD ' ' A' ' 1' ' ' MET . 13.3 t -87.91 -171.18 3.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.925 0.89 . . . . 99.99 111.7 -172.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 70.85 0.16 3.25 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.361 1.464 . . . . 99.99 112.349 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -81.34 -26.48 35.54 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.863 0.865 . . . . 99.99 110.681 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.574 ' HB3' ' HB ' ' E' ' 441' ' ' ILE . 69.3 m-20 60.76 -131.66 0.79 Allowed 'General case' 0 CA--C 1.559 1.294 0 O-C-N 124.34 1.025 . . . . 99.99 110.687 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 67.48 -102.26 0.06 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.808 1.243 . . . . 99.99 110.536 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.488 HG22 ' HB ' ' E' ' 451' ' ' VAL . 99.0 m -155.15 129.31 8.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.585 0.354 . . . . 99.99 110.665 -168.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' E' ' 447' ' ' HIS . 39.2 mt-10 -131.42 8.07 4.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.379 1.071 . . . . 99.99 109.84 165.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.651 ' HG3' ' HB ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -90.1 156.89 18.05 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 118.229 -0.891 . . . . 99.99 108.754 -175.156 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 10.8 m -138.52 122.81 18.2 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 119.607 1.094 . . . . 99.99 111.421 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' E' ' 452' ' ' VAL . 52.0 t80 -97.15 153.14 18.16 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.715 . . . . 99.99 111.863 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -169.35 127.75 0.98 Allowed 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.287 0.992 . . . . 99.99 110.036 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 87.02 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 27.8 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 12.57 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 37.56 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 5.43 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 6.92 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 5.61 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 12.68 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 32.78 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.709 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 m-20 -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HG2' HG23 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 3.4 m80 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' NZ ' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' CH2' HD11 ' E' ' 470' ' ' LEU . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HG3' HD13 ' E' ' 470' ' ' LEU . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 57.34 112.933 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 48.36 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 97.85 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 43.33 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 41.53 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 88.8 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 73.87 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.04 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 54.22 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 29.36 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 19.86 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 13.6 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 17.22 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 14.92 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 21.43 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 23.61 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 57.75 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.634 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 93.1 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 30.12 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 22.88 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 30.01 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 14.44 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 9.47 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.747 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 20.02 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 66.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m -78.41 119.66 22.05 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 9' ' ' MET . 8.6 tp -101.98 164.2 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 176.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -144.9 134.36 23.18 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.592 -0.693 . . . . 99.99 109.905 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.86 -41.41 2.13 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.942 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 9' ' ' MET . 5.0 mp -149.6 146.8 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -143.46 176.06 9.46 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 107.727 -1.212 . . . . 99.99 107.727 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.78 -144.45 35.26 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 120.19 -0.228 . . . . 99.99 113.553 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.5 p -60.07 -33.51 72.18 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.438 1.273 . . . . 99.99 114.438 -167.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.451 ' HB2' HG21 ' A' ' 89' ' ' ILE . 28.2 mm-40 -68.21 -36.99 80.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.011 0.524 . . . . 99.99 111.213 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.455 ' SD ' ' HG2' ' A' ' 9' ' ' MET . 0.8 OUTLIER -86.09 -21.21 27.79 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.973 0.509 . . . . 99.99 112.212 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 98' ' ' LEU . . . -61.78 -16.89 53.46 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.403 1.26 . . . . 99.99 114.403 -167.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HA ' ' SD ' ' A' ' 138' ' ' MET . 6.4 p80 -63.3 -28.6 70.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.536 0.607 . . . . 99.99 111.257 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.761 ' SG ' HD22 ' E' ' 454' ' ' LEU . 38.7 t -80.26 -39.61 28.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.805 0.842 . . . . 99.99 111.214 171.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 95' ' ' ALA . 6.7 mp -69.79 -18.54 63.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.623 0.769 . . . . 99.99 110.449 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 95.56 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 94.48 112.086 -175.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.648 ' HB3' HG21 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 73.2 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 48.9 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 94.19 111.921 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 55.88 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 21.71 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 15.39 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 9.95 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 20.66 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 7.34 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.56 HH12 HD12 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 15.45 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 4.41 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.484 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 7.34 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 7.28 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 4.96 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 48.88 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 26.6 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 17.97 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 8.38 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.467 HG21 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 20.1 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 13.71 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 20.05 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 56.76 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 62.97 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 56.46 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 77.42 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.599 ' HA ' ' HB3' ' E' ' 460' ' ' LEU . 19.0 m -134.43 120.03 31.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 135' ' ' ALA . 2.4 t-20 -108.69 79.65 1.26 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.97 0.908 . . . . 99.99 110.717 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 7.9 m-30 -67.38 -25.27 65.88 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.204 0.526 . . . . 99.99 111.408 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.24 -36.35 77.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.068 -1.423 . . . . 99.99 111.204 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.449 ' HB2' ' OD1' ' A' ' 132' ' ' ASN . . . -65.91 -29.8 70.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.711 0.804 . . . . 99.99 112.084 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' E' ' 462' ' ' TYR . 3.0 tm? -76.59 -29.6 56.63 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.639 -0.504 . . . . 99.99 109.639 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -65.89 -43.02 89.51 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.383 -0.599 . . . . 99.99 109.383 170.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 96' ' ' HIS . 34.3 tpp -68.21 -26.13 65.57 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.328 -0.851 . . . . 99.99 110.636 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 3.3 t-20 -66.09 -44.0 85.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.139 0.976 . . . . 99.99 109.162 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.24 -30.87 71.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.421 -1.263 . . . . 99.99 111.212 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.98 -53.16 61.11 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.687 0.617 . . . . 99.99 111.486 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -158.13 10.38 0.17 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 113.356 0.872 . . . . 99.99 113.356 -172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 83.8 mm-40 -104.85 37.34 2.18 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 123.022 0.529 . . . . 99.99 110.929 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -77.88 71.02 4.33 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.992 1.377 . . . . 99.99 110.543 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' E' ' 435' ' ' THR . . . -136.88 -165.9 1.82 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.448 -1.251 . . . . 99.99 109.571 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.7 74.75 0.58 Allowed Glycine 0 C--N 1.348 1.242 0 O-C-N 123.363 0.415 . . . . 99.99 112.363 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -167.37 -52.18 0.02 OUTLIER 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.449 1.099 . . . . 99.99 108.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.71 158.31 53.45 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.136 -0.938 . . . . 99.99 112.641 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 153' ' ' GLN . 9.8 t -69.16 166.95 17.19 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.556 0.743 . . . . 99.99 111.217 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.58 71.42 3.2 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.648 0.779 . . . . 99.99 111.191 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.41 13.14 0.85 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.565 1.546 . . . . 99.99 114.779 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -154.18 127.5 8.49 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.084 -1.45 . . . . 99.99 107.084 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 149' ' ' THR . 18.0 mp0 -73.07 80.13 1.23 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.908 0.755 . . . . 99.99 109.462 -175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t70 64.96 -70.94 0.08 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.77 1.628 . . . . 99.99 111.203 -172.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 123.955 0.902 . . . . 99.99 109.009 176.138 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.527 ' N ' ' HB3' ' B' ' 8' ' ' GLU . 22.1 ptm . . . . . 0 C--O 1.245 0.85 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.556 ' H ' HG13 ' E' ' 68' ' ' ILE . 32.6 t 72.38 170.34 0.32 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.95 1.3 . . . . 99.99 111.232 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 -23.44 33.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.121 0.568 . . . . 99.99 109.879 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -70.54 99.54 1.65 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.242 -0.89 . . . . 99.99 110.597 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 71.43 -70.66 0.15 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.606 1.562 . . . . 99.99 112.278 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -79.4 85.41 5.2 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.272 0.629 . . . . 99.99 110.197 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.5 m -56.88 -63.73 1.11 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.527 ' HB3' ' N ' ' B' ' 1' ' ' MET . 37.3 tt0 55.78 94.94 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 O-C-N 125.036 1.46 . . . . 99.99 112.075 162.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.464 ' SD ' HG13 ' B' ' 89' ' ' ILE . 12.3 tpt 66.71 169.42 0.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.262 1.025 . . . . 99.99 111.379 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -133.47 139.73 46.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.736 0.814 . . . . 99.99 109.141 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.528 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 -148.93 112.1 4.93 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 93.55 108.506 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.462 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.408 HD11 HD13 ' B' ' 105' ' ' ILE . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 40.88 107.624 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 85.25 111.097 -174.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.467 ' HE ' HG21 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 95.33 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 13.6 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 23.1 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 6.51 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 19.94 111.878 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 5.14 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 19.25 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 9.84 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 18.09 107.757 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.45 ' O ' HG13 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 49.39 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG13 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.607 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 98.87 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 72.1 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 96.73 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.659 ' HA ' ' HA ' ' E' ' 384' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.598 HD23 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 67.27 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB2' ' HB ' ' E' ' 387' ' ' ILE . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 66.97 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 35.64 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 74.75 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 43.74 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 89.61 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 85.91 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 76.71 108.143 175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 98.07 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 57.34 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.432 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 21.57 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.598 HD21 HD23 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 62.33 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.684 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 95.32 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 14.84 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 28.15 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 18.14 110.067 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 24.35 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 26.44 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 56.64 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 62.67 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 81.37 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 33.32 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 25.99 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 18.76 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 16.93 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 12.76 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' B' ' 110' ' ' ALA . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 8.91 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.53 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 33.15 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.591 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 11.78 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 39.34 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 63.88 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 82.93 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.4 HG13 HG11 ' E' ' 18' ' ' VAL . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 98.2 110.329 -169.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.464 HG13 ' SD ' ' B' ' 9' ' ' MET . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.529 ' HE1' HD11 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 71.23 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.405 ' N ' HD12 ' B' ' 98' ' ' LEU . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 59.87 112.553 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' B' ' 134' ' ' ASP . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 71.19 111.967 -175.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 50.37 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 36.29 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 87.59 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.482 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 37.19 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 13.07 111.919 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.508 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 10.37 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 12.29 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 8.75 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 59.14 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 13.3 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.663 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 9.86 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 13.13 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.02 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 26.78 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 13.3 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 29.79 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 23.15 112.813 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 23.84 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 29.89 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.611 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.429 HD11 HG11 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 72.13 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 73.04 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.62 HD11 HD12 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 90.81 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 43.15 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 61.27 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.485 HG23 ' HA3' ' E' ' 76' ' ' GLY . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.57 111.221 -174.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -111.87 115.16 28.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' B' ' 136' ' ' LEU . 34.8 p90 -67.07 -4.49 10.06 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.216 1.006 . . . . 99.99 112.862 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.536 ' HB2' ' HB1' ' B' ' 100' ' ' ALA . 36.7 t70 -52.7 -49.13 65.94 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.805 1.242 . . . . 99.99 113.485 -175.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' E' ' 76' ' ' GLY . . . -62.85 -22.75 66.91 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.312 0.645 . . . . 99.99 112.311 -173.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' B' ' 133' ' ' PHE . 41.5 tp -53.88 -42.45 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.366 1.066 . . . . 99.99 111.048 174.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -71.38 -20.14 62.18 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.371 0.668 . . . . 99.99 112.263 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -36.28 20.93 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.299 0.64 . . . . 99.99 109.561 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -86.68 -17.93 32.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.161 0.984 . . . . 99.99 111.681 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -66.44 -15.01 63.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.467 1.107 . . . . 99.99 111.289 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.95 35.49 0.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.518 1.127 . . . . 99.99 111.019 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 59.63 35.06 22.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.346 1.058 . . . . 99.99 109.675 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 61.58 89.13 0.08 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.163 -1.38 . . . . 99.99 110.166 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.97 -24.93 66.11 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.66 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.29 -13.61 61.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.327 1.051 . . . . 99.99 112.179 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 174.27 78.23 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 N-CA-C 110.88 -0.888 . . . . 99.99 110.88 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.38 94.27 0.26 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.547 -0.908 . . . . 99.99 108.547 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.1 -56.23 21.79 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.604 -0.725 . . . . 99.99 112.234 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 56.0 m 60.94 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.359 1.019 0 C-N-CA 124.812 1.245 . . . . 99.99 110.416 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.73 20.36 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.206 1.002 . . . . 99.99 110.477 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.89 -37.12 78.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.726 0.81 . . . . 99.99 110.685 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 69.43 -177.58 0.21 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.712 1.205 . . . . 99.99 109.806 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 80.92 -53.01 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.467 1.507 . . . . 99.99 110.357 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 45.99 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.031 1.732 . . . . 99.99 113.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.586 -0.894 . . . . 99.99 108.586 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 111.048 0.018 . . . . 99.99 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -151.34 12.57 0.64 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.798 0.439 . . . . 99.99 111.389 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.8 116.39 16.46 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 62.35 8.31 2.71 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.002 0.921 . . . . 99.99 112.204 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.15 71.49 10.88 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.602 0.761 . . . . 99.99 110.05 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -125.7 -10.02 6.74 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.219 -0.9 . . . . 99.99 110.038 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p 50.88 77.52 0.13 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.95 1.7 . . . . 99.99 112.545 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.44 137.32 53.99 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.538 0.735 . . . . 99.99 109.815 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' C' ' 97' ' ' CYS . 26.7 ttt 64.3 126.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.426 1.49 . . . . 99.99 113.472 176.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.2 m -120.2 96.2 5.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.256 0.622 . . . . 99.99 109.87 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -115.44 159.03 21.67 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' E' ' 138' ' ' TYR . 6.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 56.3 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.658 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 93.16 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ILE . . . . . 0.424 HG23 HD22 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 11.74 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 6.91 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 21.95 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 5.12 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 9.28 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 8.82 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 12.04 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' E' ' 361' ' ' ILE . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 30.41 111.537 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 48.75 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 55.24 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' E' ' 301' ' ' ILE . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' E' ' 366' ' ' ASP . 19.3 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 88.6 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 68.93 110.09 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 87.15 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.401 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 94.05 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.684 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 71.87 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 62.96 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 35.73 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 56.22 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 43.42 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.604 HD11 HD12 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 94.06 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 81.86 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 29.6 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 20.9 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.544 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 69.19 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 14.53 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.684 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.42 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.558 HG23 HD13 ' C' ' 114' ' ' ILE . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 17.7 108.115 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 29.53 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 32.22 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 59.66 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.58 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 97.29 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 76.35 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 37.0 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 34.06 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 39.96 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.449 HD23 HG23 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 16.54 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.554 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 9.25 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 25.23 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 10.6 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 30.38 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.06 127.89 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.74 -172.53 4.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.886 0.874 . . . . 99.99 109.85 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.69 36.29 91.07 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 123.351 0.501 . . . . 99.99 112.894 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.487 ' HB ' ' HG2' ' C' ' 94' ' ' MET . 0.2 OUTLIER -75.53 109.79 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.708 0.766 . . . . 99.99 112.429 -167.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.494 ' H ' ' HB3' ' C' ' 94' ' ' MET . 58.7 mm-40 -108.46 69.8 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.566 0.747 . . . . 99.99 110.947 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.9 -110.84 1.05 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 114.988 0.755 . . . . 99.99 114.988 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 13.4 m -74.41 -29.61 61.59 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.909 0.884 . . . . 99.99 111.47 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.422 HE22 ' HE2' ' C' ' 140' ' ' TYR . 5.9 tp60 -68.92 -46.52 68.07 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 99.99 111.957 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.494 ' HB3' ' H ' ' C' ' 90' ' ' GLU . 3.9 ppp? -59.53 -32.62 70.48 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.343 0.592 . . . . 99.99 111.411 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.42 68.58 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.856 -1.066 . . . . 99.99 112.324 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -72.46 -53.87 10.92 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.714 . . . . 99.99 110.617 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.617 ' HB2' ' SD ' ' C' ' 9' ' ' MET . 38.7 m -62.78 -37.17 85.6 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.398 0.679 . . . . 99.99 111.643 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 68.51 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 56.52 110.796 -175.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 56.59 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 39.21 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 104' ' ' ASN . . . . . 0.621 HD21 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.56 HD12 HH12 ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 8.71 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.544 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 37.06 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 16.74 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 9.85 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 5.88 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 7.64 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 20.64 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 13.9 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.558 HD13 HG23 ' C' ' 64' ' ' VAL . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 8.58 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 8.54 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 6.56 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.486 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 5.22 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 28.53 109.652 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 17.6 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 15.17 112.608 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 24.81 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 29.42 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.488 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 59.85 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 41.85 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 38.57 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 24.62 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 24.48 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 68.05 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' C' ' 104' ' ' ASN . 44.5 m-85 -70.64 -32.81 70.26 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.546 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 23.7 t70 -64.89 -34.4 78.3 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 114.535 -1.211 . . . . 99.99 111.366 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.478 0.711 . . . . 99.99 111.787 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.82 -48.94 78.29 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.376 1.048 . . . . 99.99 109.849 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -75.26 -32.23 61.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.372 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 54.5 ttm -57.65 -30.17 65.18 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.585 1.154 . . . . 99.99 112.008 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -58.6 -31.62 68.24 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.273 1.029 . . . . 99.99 112.901 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 140' ' ' TYR . . . . . 0.422 ' HE2' HE22 ' C' ' 93' ' ' GLN . 1.1 p90 -28.27 -76.98 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 126.665 1.986 . . . . 99.99 115.251 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.66 149.11 36.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.65 0.78 . . . . 99.99 112.756 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -93.79 -52.91 4.23 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.062 -0.972 . . . . 99.99 108.919 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 68.19 -73.3 0.09 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.238 1.415 . . . . 99.99 111.583 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 76.02 -64.23 0.36 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.979 1.712 . . . . 99.99 111.267 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.76 104.06 2.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.695 0.798 . . . . 99.99 110.329 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 176.38 -52.57 0.11 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.635 -0.586 . . . . 99.99 111.635 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -143.99 145.85 32.5 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.442 -0.947 . . . . 99.99 108.442 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.62 -93.53 0.14 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 110.449 -1.061 . . . . 99.99 110.449 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 20.3 m -141.33 165.55 27.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.394 -1.336 . . . . 99.99 107.394 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 72.25 61.39 0.13 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.194 0.997 . . . . 99.99 109.119 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.13 -52.47 48.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.849 -1.523 . . . . 99.99 108.983 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -174.35 41.81 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.845 1.258 . . . . 99.99 108.507 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -87.54 -6.25 58.42 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.223 -0.899 . . . . 99.99 110.092 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.58 -1.76 35.64 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.101 1.36 . . . . 99.99 111.601 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.316 0 C-N-CA 123.823 0.849 . . . . 99.99 110.495 176.59 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.016 -0.735 . . . . 99.99 109.016 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t 59.71 91.06 0.05 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.047 1.339 . . . . 99.99 112.016 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.11 -68.24 0.94 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.99 -1.115 . . . . 99.99 107.99 172.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -159.96 -170.65 2.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.159 0.583 . . . . 99.99 109.647 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 75.96 104.24 0.07 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 125.111 1.364 . . . . 99.99 109.839 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ASN . . . . . 0.618 ' HB2' ' HA2' ' D' ' 88' ' ' GLY . 33.2 m-80 58.41 -159.95 0.27 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.534 1.133 . . . . 99.99 111.069 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 89.8 m -143.01 -32.94 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.035 0.934 . . . . 99.99 109.308 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -114.43 105.41 13.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.205 1.002 . . . . 99.99 109.284 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 24.4 ttt -34.92 131.64 0.37 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.828 1.251 . . . . 99.99 114.275 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -106.72 135.47 48.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.154 0.982 . . . . 99.99 108.403 169.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.419 ' HD2' HG22 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 76.43 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.678 HD13 HG21 ' D' ' 105' ' ' ILE . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' E' ' 304' ' ' PRO . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 79.46 110.888 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.519 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 53.22 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.468 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 19.87 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 8.43 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 36.9 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.486 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 4.02 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 7.64 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.612 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 5.08 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 7.19 108.433 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 13.41 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.404 ' O ' HG22 ' D' ' 31' ' ' VAL . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 12.01 113.745 -170.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 20.55 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 22.26 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 27' ' ' ASN . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 34.6 113.187 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.497 ' HB3' ' NE1' ' E' ' 131' ' ' TRP . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 31.63 109.575 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 49.29 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLN . . . . . 0.553 HE21 ' HD2' ' D' ' 38' ' ' PRO . 33.2 tp60 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.553 ' HD2' HE21 ' D' ' 37' ' ' GLN . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 31.29 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 52.79 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 74.77 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.518 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 66.01 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.5 HG21 ' HB ' ' E' ' 107' ' ' THR . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 77.52 109.369 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 38.8 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 48.36 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 52.73 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.71 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.517 HD13 HG21 ' E' ' 365' ' ' VAL . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 82.32 108.766 -178.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 96.95 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 82.8 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 44.56 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 19.48 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 52.2 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 9.25 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 10.79 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 9.72 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 19.36 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.501 ' HB2' HG12 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 11.33 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.497 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 29.87 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 24.97 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 27.84 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 11.35 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.497 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 10.67 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 7.73 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 11.05 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 5.05 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 21.68 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.29 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' GLY . . . . . 0.459 ' HA3' HG22 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 43.57 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 77.58 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.449 HG13 HD11 ' E' ' 97' ' ' ILE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 88.57 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 88' ' ' GLY . . . . . 0.618 ' HA2' ' HB2' ' D' ' 6' ' ' ASN . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.545 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 88.9 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 95.17 111.962 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.635 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 99' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' E' ' 102' ' ' LEU . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 66.02 113.885 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 100' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 54.11 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 40.76 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 34.31 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 28.69 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 61.29 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.678 HG21 HD13 ' D' ' 13' ' ' ILE . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 19.65 110.978 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 13.09 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 10.47 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 6.22 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 10.48 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 110' ' ' ALA . . . . . 0.415 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 4.16 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 10.22 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.39 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 5.37 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 7.06 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 6.71 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' D' ' 23' ' ' PHE . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 5.08 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.5 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 5.65 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 10.21 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 6.99 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 18.26 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.78 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 20.06 113.083 172.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 16.85 111.819 -172.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 14.84 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' E' ' 126' ' ' ALA . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 76.73 108.679 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.524 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 20.32 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 28.37 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.461 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 32.68 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 69.78 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.605 ' ND2' ' HB2' ' D' ' 135' ' ' ALA . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.599 ' HA ' HD13 ' D' ' 136' ' ' LEU . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 134' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 -54.96 -38.52 67.87 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 135' ' ' ALA . . . . . 0.605 ' HB2' ' ND2' ' D' ' 132' ' ' ASN . . . -57.51 -34.95 69.63 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 124.082 0.864 . . . . 99.99 111.844 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' E' ' 120' ' ' TYR . 6.3 mp -64.7 -50.26 67.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.462 0.705 . . . . 99.99 109.766 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.417 ' HE2' ' HB3' ' E' ' 109' ' ' TYR . 80.6 m-85 -67.91 -34.66 77.06 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.178 -0.919 . . . . 99.99 109.846 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 26.4 ttm -64.4 -38.3 90.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.401 1.08 . . . . 99.99 109.86 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 139' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' D' ' 142' ' ' GLN . 93.3 m-20 -58.59 -40.36 82.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.981 0.912 . . . . 99.99 110.998 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -70.56 -34.38 72.15 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.968 0.793 . . . . 99.99 110.936 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 141' ' ' LEU . . . . . 0.414 HD13 ' O ' ' D' ' 137' ' ' PHE . 10.9 mp -79.97 -32.43 39.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.829 0.852 . . . . 99.99 111.4 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 142' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' D' ' 139' ' ' ASN . 19.9 pt20 -89.61 12.55 16.44 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.6 0.76 . . . . 99.99 110.909 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 143' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' D' ' 139' ' ' ASN . 44.1 tt0 -119.04 81.92 1.78 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 -172.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.66 66.84 1.34 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.251 -1.018 . . . . 99.99 108.251 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.11 171.44 20.15 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 113.652 -1.613 . . . . 99.99 108.879 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 146' ' ' GLY . . . . . 0.458 ' O ' HG23 ' D' ' 149' ' ' THR . . . -73.29 78.48 0.82 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 111.748 -0.541 . . . . 99.99 111.748 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 61.92 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.029 1.332 . . . . 99.99 111.054 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 51.43 0.46 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.219 -0.752 . . . . 99.99 111.219 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 149' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 146' ' ' GLY . 11.3 p -55.49 -70.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.996 0.919 . . . . 99.99 110.914 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -178.9 161.86 1.23 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.35 1.06 . . . . 99.99 109.052 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.75 165.31 25.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.504 0.722 . . . . 99.99 110.82 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -82.42 75.43 9.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -52.56 7.01 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 106.074 -1.824 . . . . 99.99 106.074 168.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.31 76.43 0.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.548 1.539 . . . . 99.99 111.438 166.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.035 -0.984 . . . . 99.99 108.852 177.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.31 -0.626 . . . . 99.99 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' E' ' 377' ' ' PHE . 2.5 pptp? -164.93 147.05 8.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.317 0.647 . . . . 99.99 110.38 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -136.08 -173.55 3.42 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.31 1.044 . . . . 99.99 109.621 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -92.37 -170.39 2.49 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.018 0.927 . . . . 99.99 109.708 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.408 HG23 ' HG2' ' E' ' 379' ' ' LYS . 91.9 m -71.37 -28.17 63.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.37 0.668 . . . . 99.99 110.607 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.459 HD11 HD23 ' B' ' 128' ' ' LEU . 9.1 tp -131.74 128.65 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.891 -165.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 77.24 127.56 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.302 1.593 . . . . 99.99 115.302 161.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt 68.93 177.05 0.27 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.968 1.707 . . . . 99.99 114.333 166.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.09 -163.2 0.59 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.333 -1.303 . . . . 99.99 109.589 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.07 -15.64 57.9 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.782 0.833 . . . . 99.99 111.34 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mp 70.92 169.13 0.12 Allowed Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 124.392 1.077 . . . . 99.99 111.387 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.1 3.87 5.8 Favored 'Trans proline' 0 C--N 1.385 2.478 0 C-N-CA 122.359 2.04 . . . . 99.99 113.485 171.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 70.72 157.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.787 1.235 . . . . 99.99 111.829 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 69.56 154.95 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.861 1.264 . . . . 99.99 112.751 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' E' ' 21' ' ' ALA . 3.4 t80 -155.79 110.98 2.96 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 104.991 -2.226 . . . . 99.99 104.991 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 24.6 p -58.18 146.47 70.02 Favored Pre-proline 0 N--CA 1.483 1.213 0 CA-C-O 118.073 -0.965 . . . . 99.99 110.981 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -38.79 155.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 125.102 3.868 . . . . 99.99 115.856 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.4 HG11 HG13 ' B' ' 86' ' ' ILE . 2.0 t -64.91 89.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.334 0.654 . . . . 99.99 109.671 -171.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 6.2 t 177.05 -31.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.451 1.5 . . . . 99.99 109.334 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -153.82 159.07 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.874 0.869 . . . . 99.99 108.734 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' CE1' ' E' ' 15' ' ' PHE . . . -146.43 98.58 3.1 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.433 -0.58 . . . . 99.99 109.433 173.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -168.14 106.71 0.5 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.404 -1.332 . . . . 99.99 107.404 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.5 p -74.61 116.59 54.85 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.946 -0.57 . . . . 99.99 109.864 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.406 ' O ' ' HD2' ' E' ' 27' ' ' PRO . 37.2 Cg_endo -65.11 127.66 18.88 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 122.021 1.814 . . . . 99.99 109.521 173.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 89.83 2.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.632 0.373 . . . . 99.99 110.207 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' MET . . . . . 0.494 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 0.0 OUTLIER -161.86 -49.66 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.812 0.845 . . . . 99.99 109.096 178.591 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 43.8 Cg_exo -61.63 -14.33 35.08 Favored 'Trans proline' 0 C--N 1.398 3.163 0 C-N-CA 121.8 1.667 . . . . 99.99 113.002 166.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p 41.41 98.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.473 1.909 . . . . 99.99 113.496 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp 73.49 -72.69 0.11 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.982 1.313 . . . . 99.99 110.544 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -157.33 119.9 3.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.397 0.679 . . . . 99.99 110.275 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 67.81 -73.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.308 1.443 . . . . 99.99 111.006 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -167.58 -46.23 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.212 1.405 . . . . 99.99 108.069 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.66 22.11 12.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.565 1.146 . . . . 99.99 113.307 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.58 49.23 1.43 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.482 0.713 . . . . 99.99 111.212 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -149.94 -26.7 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.797 1.639 . . . . 99.99 109.196 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.77 -10.08 74.96 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 115.99 -0.55 . . . . 99.99 113.154 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.28 83.02 7.56 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.787 0.804 . . . . 99.99 110.071 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.99 -37.85 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 114.239 -1.346 . . . . 99.99 109.102 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -128.65 -30.98 2.26 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.614 0.766 . . . . 99.99 109.992 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' E' ' 41' ' ' PRO . . . 64.18 170.59 0.09 OUTLIER Pre-proline 0 C--N 1.373 1.603 0 C-N-CA 124.47 1.108 . . . . 99.99 110.541 -175.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' E' ' 40' ' ' ALA . 17.5 Cg_endo -57.58 -9.35 5.23 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 121.817 1.678 . . . . 99.99 114.113 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.06 -65.76 2.55 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.146 0.403 . . . . 99.99 112.189 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.84 -8.57 82.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 123.887 0.404 . . . . 99.99 113.793 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -148.27 169.52 19.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.233 1.013 . . . . 99.99 109.727 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 66.01 83.86 0.16 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.676 1.235 . . . . 99.99 111.445 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 71.08 -72.77 0.11 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.127 1.371 . . . . 99.99 113.401 162.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.84 -20.16 21.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 125.095 1.358 . . . . 99.99 112.721 -172.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 18.7 m -44.64 -41.03 6.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.012 1.325 . . . . 99.99 113.35 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.13 0.09 OUTLIER Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.927 -0.869 . . . . 99.99 110.927 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.38 79.24 5.84 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 121.742 0.782 . . . . 99.99 110.848 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -93.23 -32.53 14.32 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.593 -1.185 . . . . 99.99 107.963 162.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.17 -19.34 62.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.618 1.567 . . . . 99.99 114.398 -167.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.03 68.97 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.909 0.707 . . . . 99.99 112.909 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.01 2.9 0.11 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.395 0.887 . . . . 99.99 113.395 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp 73.22 -31.7 0.23 Allowed 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.442 1.497 . . . . 99.99 113.306 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -52.88 118.94 4.06 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.025 1.33 . . . . 99.99 112.337 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.57 112.96 11.27 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.937 -1.029 . . . . 99.99 109.061 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.7 p -138.18 -101.29 0.18 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.439 -0.948 . . . . 99.99 108.439 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 91.0 mt 46.31 -96.51 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.609 1.164 . . . . 99.99 111.929 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m 73.25 -36.0 0.34 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.46 1.504 . . . . 99.99 113.848 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.4 -87.58 0.02 OUTLIER 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.674 1.19 . . . . 99.99 109.948 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -164.11 81.67 1.37 Allowed Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -87.86 11.53 3.12 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.508 2.806 . . . . 99.99 112.876 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.21 152.54 46.07 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 124.271 1.028 . . . . 99.99 109.029 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 172.3 10.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.165 -0.679 . . . . 99.99 109.165 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -132.69 177.95 7.23 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 99.99 109.379 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.465 HD13 ' H ' ' E' ' 68' ' ' ILE . 0.4 OUTLIER 79.83 147.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.214 0 O-C-N 125.243 1.589 . . . . 99.99 111.162 174.69 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 68' ' ' ILE . . . . . 0.556 HG13 ' H ' ' B' ' 2' ' ' SER . 12.3 tt -95.34 -29.74 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.422 1.089 . . . . 99.99 110.658 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.455 ' HG ' HG23 ' E' ' 68' ' ' ILE . 34.6 mt -87.29 106.07 17.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.028 0.931 . . . . 99.99 110.021 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.466 ' H ' ' ND2' ' D' ' 132' ' ' ASN . 40.8 tp -77.9 80.92 4.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 77.7 mt -139.03 -71.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 109.714 -173.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.33 44.47 2.13 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 116.031 -0.531 . . . . 99.99 112.423 -172.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.29 -175.4 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.082 0.953 . . . . 99.99 111.292 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.85 80.72 0.18 Allowed Glycine 0 C--N 1.354 1.545 0 O-C-N 123.2 0.312 . . . . 99.99 112.827 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -105.23 83.3 1.95 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.132 0.968 . . . . 99.99 108.591 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 76' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' B' ' 131' ' ' VAL . . . 155.63 141.15 3.14 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.157 -0.929 . . . . 99.99 111.489 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.13 120.36 10.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.376 -0.601 . . . . 99.99 109.376 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 24.4 m -81.49 -17.45 48.58 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.77 0.668 . . . . 99.99 112.199 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -88.2 -61.49 1.7 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-N 117.58 0.173 . . . . 99.99 110.917 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 59.5 mt 53.94 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.914 . . . . 99.99 108.67 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -69.34 82.75 0.37 Allowed 'General case' 0 CA--C 1.556 1.207 0 CA-C-O 121.751 0.786 . . . . 99.99 111.49 -169.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.21 -31.19 8.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.158 1.383 . . . . 99.99 108.616 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.44 150.79 35.3 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.807 -1.088 . . . . 99.99 109.054 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -86.51 63.41 7.97 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 109.111 -0.7 . . . . 99.99 109.111 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -172.05 -77.25 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.167 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.98 177.72 7.44 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.145 0.978 . . . . 99.99 108.984 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.79 104.37 0.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.632 0.773 . . . . 99.99 109.197 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.03 111.15 7.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.666 0.787 . . . . 99.99 110.577 -176.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.21 141.6 29.24 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.764 0.665 . . . . 99.99 113.07 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.59 -169.02 2.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.027 0.931 . . . . 99.99 109.902 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 91' ' ' GLY . . . . . 0.52 ' HA3' ' HG2' ' E' ' 304' ' ' PRO . . . -146.18 161.8 28.34 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.407 -0.36 . . . . 99.99 112.265 176.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.2 154.41 10.45 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.801 -0.52 . . . . 99.99 111.801 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -91.4 149.45 21.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 99.99 109.363 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -94.54 164.3 13.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.355 0.662 . . . . 99.99 111.038 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -128.43 111.53 13.4 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.775 -0.824 . . . . 99.99 108.775 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.79 -71.16 0.04 OUTLIER Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.548 HD12 HD13 ' E' ' 100' ' ' LEU . 15.1 pt -87.37 92.36 3.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.85 0.833 . . . . 99.99 109.862 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.63 -66.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.417 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.3 115.11 13.44 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.548 HD13 HD12 ' E' ' 97' ' ' ILE . 35.6 tp -137.57 78.92 36.46 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -92.68 161.62 2.84 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 122.709 2.273 . . . . 99.99 111.31 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.52 HD21 ' HA3' ' D' ' 99' ' ' GLY . 0.8 OUTLIER -101.16 80.57 2.13 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.524 -1.287 . . . . 99.99 107.524 174.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p 56.8 -77.27 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.953 1.701 . . . . 99.99 113.273 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.91 -27.76 0.73 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 110.766 -0.934 . . . . 99.99 110.766 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.34 20.66 3.7 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.247 1.019 . . . . 99.99 110.878 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 64.41 -82.12 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.264 1.425 . . . . 99.99 109.952 -172.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 107' ' ' THR . . . . . 0.5 ' HB ' HG21 ' D' ' 46' ' ' THR . 30.1 m -150.1 7.8 0.62 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.161 0.984 . . . . 99.99 109.108 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.22 80.96 4.61 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.872 0.844 . . . . 99.99 111.352 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' D' ' 137' ' ' PHE . 76.1 t80 -134.39 -10.4 2.51 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.997 1.319 . . . . 99.99 108.38 168.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -144.75 -160.78 1.18 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.197 1.399 . . . . 99.99 108.183 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.414 ' H ' HD23 ' D' ' 136' ' ' LEU . 6.4 mp 63.81 25.01 13.96 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 124.175 0.99 . . . . 99.99 110.81 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.39 -32.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.733 0.813 . . . . 99.99 110.161 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -73.59 90.8 1.8 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.719 0.771 . . . . 99.99 110.573 -172.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -77.65 133.61 38.35 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.268 -1.333 . . . . 99.99 110.027 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 30.3 p -126.06 -52.99 1.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.069 0.948 . . . . 99.99 108.482 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.41 -50.7 0.02 OUTLIER Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.413 -1.875 . . . . 99.99 108.413 172.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.54 158.27 85.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.27 -0.965 . . . . 99.99 109.224 167.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.48 54.62 5.1 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.905 2.403 . . . . 99.99 109.863 168.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . 0.274 0.7 OUTLIER 41.63 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 126.582 1.953 . . . . 99.99 112.339 -162.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' D' ' 136' ' ' LEU . 21.5 t80 -159.3 15.66 0.16 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.217 0.607 . . . . 99.99 110.424 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.79 112.62 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.785 0.834 . . . . 99.99 110.79 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 35.6 m 68.31 105.34 0.05 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.219 1.408 . . . . 99.99 111.798 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.85 -45.62 74.07 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.316 0.646 . . . . 99.99 110.407 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 17.8 t -165.06 -169.81 1.76 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.041 0.937 . . . . 99.99 109.319 -175.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.23 101.65 3.41 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.349 0.66 . . . . 99.99 109.741 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 126' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' D' ' 127' ' ' ASN . . . -78.0 100.82 6.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.425 0.69 . . . . 96.83 110.479 -177.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.0 m -88.7 131.03 35.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.242 0.617 . . . . 99.99 110.855 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -146.1 96.57 2.81 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.705 -0.85 . . . . 74.48 108.705 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.78 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 11.1 t -89.55 142.07 28.01 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.123 -175.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.35 151.0 2.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.085 0.954 . . . . 99.99 109.916 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.497 ' NE1' ' HB3' ' D' ' 32' ' ' PHE . 29.8 t90 -152.9 149.66 28.48 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.771 0.429 . . . . 99.99 111.001 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -60.56 166.02 3.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.314 1.445 . . . . 99.99 114.327 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.455 HG21 HD12 ' E' ' 470' ' ' LEU . 11.6 t -139.56 164.84 28.83 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 114.887 -1.051 . . . . 99.99 109.941 174.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.34 106.51 2.67 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.973 -0.851 . . . . 89.58 110.973 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 128' ' ' LEU . 4.3 p -87.48 117.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.116 -0.698 . . . . 99.99 109.116 176.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tptp 66.86 142.94 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.019 1.328 . . . . 99.99 110.834 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p -84.85 35.29 0.56 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.659 -0.651 . . . . 99.99 110.895 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 138' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' C' ' 12' ' ' GLN . 17.1 t80 59.17 -176.81 0.09 Allowed 'General case' 0 C--N 1.363 1.162 0 C-N-CA 124.842 1.257 . . . . 99.99 109.233 -168.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 139' ' ' ASN . . . . . 0.499 HD22 ' HA2' ' E' ' 143' ' ' GLY . 70.0 m-20 -114.66 -77.86 0.57 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.553 -0.717 . . . . 99.99 109.61 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.36 124.6 0.72 Allowed Glycine 0 C--N 1.342 0.877 0 N-CA-C 110.111 -1.196 . . . . 99.99 110.111 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.0 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 124.762 1.225 . . . . 99.99 110.207 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.33 -73.43 0.66 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.13 -1.063 . . . . 99.99 108.13 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 143' ' ' GLY . . . . . 0.499 ' HA2' HD22 ' E' ' 139' ' ' ASN . . . -146.99 67.14 0.4 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 115.81 -0.632 . . . . 99.99 114.173 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.9 p -158.93 100.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-O 120.965 0.412 . . . . 99.99 110.395 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' E' ' 139' ' ' ASN . 5.3 p-10 -97.08 108.35 21.07 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 109.781 -0.451 . . . . 99.99 109.781 173.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 tt 178.95 120.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.117 1.367 . . . . 99.99 108.433 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -142.49 111.21 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.207 -0.664 . . . . 99.99 109.207 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 148' ' ' GLU . . . . . 0.611 ' HG3' ' HG3' ' E' ' 149' ' ' LYS . 9.6 tp10 -65.37 -73.64 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.156 0.982 . . . . 99.99 110.289 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.611 ' HG3' ' HG3' ' E' ' 148' ' ' GLU . 98.6 mttt -128.74 122.97 31.81 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 107.634 -1.247 . . . . 99.99 107.634 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.74 109.62 8.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.237 0.615 . . . . 99.99 111.079 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -99.32 125.95 39.49 Favored Pre-proline 0 C--O 1.237 0.428 0 N-CA-C 107.307 -1.368 . . . . 99.99 107.307 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.06 -171.08 0.32 Allowed 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.254 1.969 . . . . 99.99 112.167 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 153' ' ' THR . . . . . 0.521 HG23 ' HB2' ' E' ' 157' ' ' MET . 24.6 m -73.17 74.63 1.27 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 121.587 0.708 . . . . 99.99 109.88 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 44.5 mt -90.02 -58.14 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.455 1.102 . . . . 99.99 109.775 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.96 -63.37 1.23 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 113.376 -1.738 . . . . 99.99 110.725 -168.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.64 -85.98 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.941 -0.763 . . . . 99.99 108.941 -172.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.521 ' HB2' HG23 ' E' ' 153' ' ' THR . 1.7 mpt? 59.32 49.12 9.29 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.505 1.122 . . . . 99.99 111.907 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 56.83 26.61 11.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.9 1.28 . . . . 99.99 112.941 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -74.9 -38.19 61.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.344 1.058 . . . . 99.99 109.669 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -75.75 -15.09 60.32 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.859 -1.064 . . . . 99.99 111.943 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 63.48 68.33 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.929 1.291 . . . . 99.99 110.605 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.95 65.38 3.91 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.012 -0.995 . . . . 99.99 111.928 -176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 36.0 tp -142.91 113.99 7.71 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -147.46 -45.21 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.41 0.684 . . . . 99.99 110.612 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.9 t -65.72 -28.53 69.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.063 0.545 . . . . 99.99 111.43 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 79.6 -70.32 2.87 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.982 -0.447 . . . . 99.99 111.982 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 80.26 -60.26 0.29 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.006 1.722 . . . . 99.99 112.011 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 59.3 t 61.58 -83.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.875 1.27 . . . . 99.99 111.219 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 30.0 t -164.19 -75.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.058 0.943 . . . . 99.99 109.562 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 27.6 p -56.02 121.92 10.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.364 1.065 . . . . 99.99 112.433 -170.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.32 54.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.081 0.552 . . . . 99.99 110.34 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 172' ' ' GLU . . . . . 0.694 ' HB3' ' HB3' ' E' ' 175' ' ' ASP . 12.9 tp10 -150.04 167.74 25.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.806 1.243 . . . . 99.99 107.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 68.0 tp -47.36 -51.8 18.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 99.99 110.587 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.7 91.55 2.78 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 167.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 175' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' E' ' 172' ' ' GLU . 8.7 p-10 -98.94 170.89 8.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.965 0.506 . . . . 99.99 110.401 174.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 69.5 160.75 0.2 Allowed 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.917 1.386 . . . . 99.99 111.499 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 43.8 p -80.64 117.82 69.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.309 -0.626 . . . . 99.99 109.309 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.34 81.74 0.16 Allowed 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.367 2.044 . . . . 99.99 110.134 168.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -177.16 43.45 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.175 1.39 . . . . 99.99 108.509 -170.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.99 63.55 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.821 1.248 . . . . 99.99 112.804 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 181' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' E' ' 185' ' ' VAL . 0.9 OUTLIER -153.24 121.33 6.15 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.735 -1.12 . . . . 99.99 108.203 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.66 143.57 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.357 0.663 . . . . 99.99 110.585 -171.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 52.23 85.98 0.04 OUTLIER 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.999 1.32 . . . . 99.99 112.574 173.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 61.92 18.95 10.29 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.439 0.696 . . . . 99.99 110.907 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 185' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' E' ' 181' ' ' LEU . 45.2 t 58.59 -93.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.109 1.364 . . . . 99.99 110.141 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 8.6 m 58.37 -74.73 0.02 OUTLIER 'General case' 0 C--N 1.366 1.312 0 C-N-CA 125.309 1.444 . . . . 99.99 112.345 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 30.2 t -146.69 -173.49 4.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.455 1.102 . . . . 99.99 108.256 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -70.94 -35.69 72.3 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.804 0.335 . . . . 99.99 110.391 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 189' ' ' LYS . . . . . 0.44 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 16.0 tptm -156.05 177.96 10.83 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.083 -0.71 . . . . 99.99 109.083 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 190' ' ' CYS . . . . . 0.44 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 43.2 t 82.82 -25.41 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 126.218 1.807 . . . . 99.99 112.108 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 10.2 t80 68.11 15.35 9.41 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.266 1.426 . . . . 99.99 111.491 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 114.43 150.54 10.15 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.574 -0.57 . . . . 99.99 113.252 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.3 162.13 11.28 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 123.329 2.686 . . . . 99.99 112.583 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 16.3 t -160.52 -170.6 2.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.888 0.475 . . . . 99.99 110.208 -175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 71.08 7.29 6.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.268 1.427 . . . . 99.99 112.702 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.7 m 74.81 -47.52 0.62 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.698 1.599 . . . . 99.99 113.251 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 47.3 m 64.26 27.7 13.85 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.484 1.114 . . . . 99.99 111.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.68 ' HB3' ' HA2' ' E' ' 202' ' ' GLY . 1.1 tm-20 58.81 76.38 0.35 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.977 1.311 . . . . 99.99 109.513 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.464 ' HB2' ' HD2' ' E' ' 201' ' ' PRO . 86.7 mttt 58.39 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.246 1.418 . . . . 99.99 112.041 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.528 ' H ' ' HD2' ' E' ' 201' ' ' PRO . 77.8 m -167.06 -47.58 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.695 0 C-N-CA 126.582 1.953 . . . . 99.99 110.032 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.528 ' HD2' ' H ' ' E' ' 200' ' ' CYS . 32.2 Cg_endo -62.95 -52.39 2.23 Favored 'Trans proline' 0 C--N 1.4 3.285 0 C-N-CA 121.763 1.642 . . . . 99.99 113.012 176.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 202' ' ' GLY . . . . . 0.68 ' HA2' ' HB3' ' E' ' 198' ' ' GLU . . . 86.24 51.2 3.6 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 112.385 -0.286 . . . . 99.99 112.385 -174.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -136.68 158.72 43.78 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.735 0.814 . . . . 99.99 110.553 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -148.84 20.43 1.01 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.593 0.757 . . . . 99.99 110.866 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 66.8 tp -133.68 130.62 38.46 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.92 153.72 22.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.554 0.742 . . . . 99.99 109.1 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 87.2 tttt 61.16 94.77 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.719 0.808 . . . . 99.99 110.935 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -82.92 49.47 4.22 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.085 -0.507 . . . . 99.99 112.617 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 64.11 -144.59 48.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 120.054 -0.304 . . . . 99.99 112.358 -175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 155.38 16.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.615 0.766 . . . . 99.99 110.186 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -105.77 -91.43 2.22 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 116.0 -0.545 . . . . 99.99 111.758 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 25.9 t -151.08 -167.58 2.86 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.436 HG13 HG23 ' E' ' 214' ' ' THR . 25.5 pt 48.03 -165.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 C-N-CA 126.64 1.976 . . . . 99.99 112.682 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 214' ' ' THR . . . . . 0.436 HG23 HG13 ' E' ' 213' ' ' ILE . 71.6 p 52.1 -105.79 0.24 Allowed 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.935 1.294 . . . . 99.99 112.325 174.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.22 -29.88 17.92 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.539 0.685 . . . . 99.99 111.124 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.41 -45.15 26.76 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.191 -0.913 . . . . 99.99 112.327 -162.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.41 ' HB2' ' H ' ' E' ' 213' ' ' ILE . 0.9 OUTLIER -83.11 74.57 9.98 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -176.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 89.3 mt -137.89 -42.25 0.53 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.542 1.137 . . . . 99.99 107.936 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.5 147.34 53.58 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.211 -1.359 . . . . 99.99 111.041 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -85.66 4.53 36.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.668 0.787 . . . . 99.99 112.342 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.423 ' HB2' HG22 ' E' ' 224' ' ' VAL . 44.5 mmt-85 -123.66 24.55 8.45 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.356 0.662 . . . . 99.99 111.156 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 63.63 -85.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.545 1.138 . . . . 99.99 113.255 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -107.26 73.6 0.93 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.56 1.171 . . . . 99.99 109.988 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.683 HG12 ' H ' ' E' ' 225' ' ' THR . 3.1 t -89.68 -173.51 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 114.965 -1.016 . . . . 99.99 108.405 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 225' ' ' THR . . . . . 0.683 ' H ' HG12 ' E' ' 224' ' ' VAL . 41.0 p 0.12 81.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.335 2.254 . . . . 99.99 115.607 -160.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.81 -31.24 15.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.385 1.074 . . . . 99.99 110.85 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 161.24 -154.1 25.02 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 123.577 0.548 . . . . 99.99 111.74 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -66.02 -42.6 94.59 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.801 0.3 . . . . 99.99 112.78 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -167.22 84.19 0.1 OUTLIER Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.884 -0.886 . . . . 99.99 110.884 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -145.56 137.56 25.46 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.834 0.854 . . . . 99.99 109.482 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.24 129.71 34.07 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.255 1.022 . . . . 99.99 108.726 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.521 HG23 ' H ' ' E' ' 234' ' ' ALA . 8.4 t -131.78 -34.02 1.35 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.287 0.476 . . . . 99.99 112.287 -174.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.7 t80 59.56 24.89 13.67 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.806 1.243 . . . . 99.99 111.103 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 234' ' ' ALA . . . . . 0.521 ' H ' HG23 ' E' ' 232' ' ' THR . . . 70.96 -0.56 3.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.763 1.625 . . . . 99.99 112.742 -176.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 235' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' E' ' 236' ' ' THR . 8.8 pt-20 32.43 -104.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 127.332 2.253 . . . . 99.99 114.398 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 236' ' ' THR . . . . . 0.507 ' H ' ' HG3' ' E' ' 235' ' ' GLU . 85.4 m -146.99 -64.5 0.28 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.654 1.182 . . . . 99.99 107.969 174.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -175.85 -62.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.973 1.309 . . . . 99.99 107.893 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 39.9 p -138.68 -64.79 0.51 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.199 1.0 . . . . 99.99 109.211 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -155.87 17.88 0.37 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.372 0.669 . . . . 99.99 111.593 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 61.75 28.41 69.96 Favored Glycine 0 N--CA 1.475 1.262 0 CA-C-N 116.39 -0.368 . . . . 99.99 112.667 -176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.54 -90.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.976 1.31 . . . . 99.99 111.005 -173.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.56 -5.6 1.56 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.294 1.038 . . . . 99.99 109.752 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 52.93 91.2 0.02 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.274 1.43 . . . . 99.99 110.671 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -60.68 158.47 28.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 114.991 -1.004 . . . . 99.99 113.508 -172.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.15 97.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 99.99 111.55 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 4.8 m 57.72 55.1 5.73 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.685 -1.143 . . . . 99.99 110.486 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' E' ' 250' ' ' GLN . 2.0 pp -59.32 -16.18 20.58 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 115.494 -0.775 . . . . 99.99 112.085 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -53.36 -28.64 30.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.248 1.419 . . . . 99.99 111.645 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.716 ' HG3' ' HB2' ' E' ' 254' ' ' ARG . 30.3 tt0 -49.71 -27.35 4.68 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.49 1.916 . . . . 99.99 115.318 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' E' ' 247' ' ' LEU . 38.7 mt-30 -41.24 -64.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.568 1.147 . . . . 99.99 114.092 -152.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -95.52 -69.39 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.624 0.601 . . . . 99.99 112.624 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -97.26 -44.7 6.8 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.307 1.225 . . . . 99.99 114.307 -170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -60.24 -22.51 63.13 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.011 1.856 . . . . 99.99 116.011 -154.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 254' ' ' ARG . . . . . 0.716 ' HB2' ' HG3' ' E' ' 249' ' ' GLU . 23.5 ttt180 -64.88 -45.38 86.21 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 121.23 0.538 . . . . 99.99 110.379 172.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 99.41 59.63 0.88 Allowed Glycine 0 C--O 1.242 0.636 0 N-CA-C 110.404 -1.078 . . . . 99.99 110.404 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -70.34 92.71 0.81 Allowed 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 257' ' ' GLN . . . . . 0.439 ' HG2' ' HG ' ' E' ' 258' ' ' LEU . 4.7 pm0 -55.5 -42.34 74.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.418 1.087 . . . . 99.99 110.702 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 258' ' ' LEU . . . . . 0.439 ' HG ' ' HG2' ' E' ' 257' ' ' GLN . 4.2 pp -177.8 165.42 2.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.849 1.66 . . . . 99.99 108.504 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.37 126.25 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 171.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.1 t -76.52 76.08 3.23 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.734 -0.839 . . . . 99.99 108.734 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -153.77 41.42 0.52 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.996 -1.002 . . . . 99.99 108.868 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -70.87 -27.81 64.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.189 -0.914 . . . . 99.99 111.187 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.84 -41.79 22.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.782 -0.644 . . . . 99.99 110.366 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.4 t 58.76 -83.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.965 1.306 . . . . 99.99 111.358 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.9 -78.47 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.787 -1.19 . . . . 99.99 107.787 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 -72.06 0.05 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.436 1.095 . . . . 99.99 108.541 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 67.9 m -174.61 -65.9 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.776 1.63 . . . . 99.99 107.332 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.77 155.69 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.714 1.606 . . . . 99.99 107.62 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 8.8 t -111.43 29.46 7.81 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.318 0.647 . . . . 99.99 110.439 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 62.98 96.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 99.99 110.46 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.85 3.01 43.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.404 -1.271 . . . . 99.99 113.518 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' E' ' 274' ' ' GLN . 26.9 t-20 -52.15 -60.58 3.04 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 123.465 0.478 . . . . 99.99 111.505 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 53.37 15.78 0.75 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 125.073 1.349 . . . . 99.99 114.267 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 274' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' E' ' 272' ' ' ASN . 80.5 mt-30 -87.74 2.51 51.02 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 113.263 0.838 . . . . 99.99 113.263 -170.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -79.76 159.34 71.67 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.978 -0.534 . . . . 99.99 110.798 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -47.6 139.02 18.65 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 123.761 2.974 . . . . 99.99 113.525 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.76 179.29 7.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.763 0.425 . . . . 99.99 111.373 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.2 79.85 0.23 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.586 1.154 . . . . 99.99 109.115 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -142.44 62.09 0.52 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.933 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -170.19 -43.57 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.709 1.204 . . . . 99.99 109.023 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -69.25 94.45 0.7 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.694 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -152.9 -155.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.63 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.81 149.22 36.56 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.263 0.625 . . . . 99.99 111.206 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.04 145.18 9.25 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.438 -0.665 . . . . 99.99 111.438 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -81.78 80.05 8.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.006 -0.738 . . . . 99.99 109.006 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 86.3 mtp -124.41 80.18 60.34 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 107.632 -1.247 . . . . 99.99 107.632 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.28 130.23 6.22 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.587 2.191 . . . . 99.99 112.653 -171.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 6.3 t -94.62 86.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 106.896 -1.52 . . . . 99.99 106.896 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -98.64 23.71 8.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.608 0.763 . . . . 99.99 111.149 -165.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 63.94 -170.31 0.19 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.159 0.984 . . . . 99.99 112.063 -175.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.464 HD13 ' N ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 155.32 81.6 0.03 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.5 85.66 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.304 2.669 . . . . 99.99 111.983 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.71 -4.69 1.58 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.124 0.787 . . . . 99.99 113.124 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -142.03 121.98 13.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.582 0.353 . . . . 99.99 110.24 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 17.3 m -151.45 -49.11 0.12 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.346 0.658 . . . . 99.99 109.835 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.511 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 30.7 m-85 -111.5 106.35 15.2 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.908 0.483 . . . . 99.99 110.739 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -144.26 41.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.632 1.173 . . . . 99.99 109.69 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -139.2 147.13 18.97 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.745 -0.661 . . . . 99.99 112.268 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 300' ' ' ASN . . . . . 0.441 HD22 HE22 ' E' ' 372' ' ' GLN . 15.0 m120 -70.05 104.91 2.7 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.427 0.691 . . . . 99.99 110.734 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' C' ' 32' ' ' PHE . 29.8 pt -87.51 -11.57 10.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.406 -0.816 . . . . 99.99 110.636 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 302' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' E' ' 369' ' ' GLU . 1.0 OUTLIER -55.96 122.98 12.81 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.423 0.452 . . . . 99.99 109.865 161.419 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' E' ' 303' ' ' LYS . 0.0 OUTLIER -162.7 110.37 1.07 Allowed Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 124.837 1.336 . . . . 99.99 109.33 160.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' D' ' 14' ' ' GLN . 6.0 Cg_endo -95.21 76.52 0.15 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.188 3.258 . . . . 99.99 108.222 149.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -55.34 -72.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.914 1.079 . . . . 99.99 113.914 -161.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' B' ' 131' ' ' VAL . 15.9 m -141.44 160.13 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 112.552 0.575 . . . . 99.99 112.552 -162.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 18.3 m -115.14 136.02 53.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.033 0.933 . . . . 99.99 109.235 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 44.5 t -86.69 156.27 20.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.22 0.608 . . . . 99.99 111.017 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 61.3 p -116.53 155.88 48.18 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.93 0.892 . . . . 99.99 110.434 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.64 167.38 19.3 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.843 2.362 . . . . 99.99 112.709 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.52 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 39.6 t-20 -164.12 -57.86 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.378 1.071 . . . . 99.99 110.925 -173.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 43.2 Cg_endo -62.89 122.43 10.71 Favored 'Trans proline' 0 C--N 1.403 3.437 0 C-N-CA 121.804 1.67 . . . . 99.99 113.312 -167.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.72 159.04 23.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.77 0.828 . . . . 99.99 109.983 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 167.32 11.17 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.657 0.783 . . . . 99.99 110.426 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -145.2 163.56 34.04 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.31 90.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.468 0.651 . . . . 99.99 110.624 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.0 t -144.28 105.08 4.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.325 -1.361 . . . . 99.99 107.325 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.82 150.85 51.39 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 109.421 -0.585 . . . . 99.99 109.421 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.02 160.03 51.09 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.059 1.839 . . . . 99.99 111.558 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.9 m -72.36 -26.46 61.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.273 0.629 . . . . 99.99 110.725 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.446 HD13 ' N ' ' E' ' 322' ' ' ALA . 1.9 tm? 71.97 143.98 0.06 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.607 1.563 . . . . 99.99 109.948 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 322' ' ' ALA . . . . . 0.446 ' N ' HD13 ' E' ' 321' ' ' LEU . . . 66.72 25.4 9.77 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.454 1.102 . . . . 99.99 111.108 -177.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 68.78 -73.56 0.09 Allowed 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.093 1.757 . . . . 99.99 110.395 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.2 ttp -158.66 -34.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.802 -1.09 . . . . 99.99 109.28 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 75.8 p 51.76 -109.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 117.376 -1.297 . . . . 99.99 109.762 -164.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 58.71 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.289 1.036 . . . . 99.99 111.971 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.99 103.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.718 0.807 . . . . 99.99 111.472 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.718 ' H ' ' HB2' ' E' ' 332' ' ' LEU . . . -74.42 -78.77 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.481 -176.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 48.9 mm -89.01 -75.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 109.457 -0.572 . . . . 99.99 109.457 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -102.03 -62.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.767 0.794 . . . . 99.99 110.861 163.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.59 -56.64 2.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.262 -1.336 . . . . 99.99 112.83 -166.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.718 ' HB2' ' H ' ' E' ' 328' ' ' ALA . 2.7 tm? 65.42 83.66 0.16 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 -156.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -85.11 61.63 6.99 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.94 -1.027 . . . . 99.99 109.183 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.071 1.748 . . . . 99.99 109.857 -171.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.29 -38.61 24.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.766 0.826 . . . . 99.99 110.17 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 67.53 9.02 6.74 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.894 1.277 . . . . 99.99 110.389 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' E' ' 337' ' ' LYS . 10.5 mmpt? -92.58 119.78 32.37 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.569 0.748 . . . . 99.99 111.456 -171.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -113.77 16.74 20.93 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.162 -0.926 . . . . 99.99 111.137 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -72.25 85.62 1.07 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.066 0.946 . . . . 99.99 109.618 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 65.51 2.9 2.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.652 1.181 . . . . 99.99 112.989 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 55.19 -164.13 0.13 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.145 1.378 . . . . 99.99 112.365 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.99 -104.01 0.18 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.74 1.216 . . . . 99.99 110.453 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.36 160.85 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.88 157.55 37.19 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.079 0.552 . . . . 99.99 110.384 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -76.8 164.33 53.04 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.373 -0.291 . . . . 99.99 112.373 176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.31 -55.04 10.17 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.915 0.486 . . . . 99.99 110.796 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 24.8 t 60.21 31.83 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.065 0.946 . . . . 99.99 110.573 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -79.43 128.29 38.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-N 115.598 -0.728 . . . . 99.99 109.771 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.06 107.79 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 50.8 89.33 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.546 1.138 . . . . 99.99 113.08 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -76.15 -19.86 58.1 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.703 -0.681 . . . . 99.99 109.937 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -135.89 98.9 4.01 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -83.68 -59.43 2.43 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 99.99 109.038 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -159.54 -30.08 0.06 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.907 0.883 . . . . 99.99 110.676 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 65.34 -89.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.588 1.555 . . . . 99.99 111.465 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 60.33 100.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 124.399 1.08 . . . . 99.99 109.979 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.6 37.18 0.63 Allowed 'Trans proline' 0 CA--C 1.561 1.827 0 C-N-CA 122.686 2.257 . . . . 99.99 114.111 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.9 t 64.76 89.14 0.1 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.351 1.46 . . . . 99.99 112.11 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -90.54 42.13 2.92 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.159 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -109.45 -173.8 2.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.373 1.069 . . . . 99.99 109.248 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 26' ' ' PRO . 33.9 mm 77.79 142.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.87 1.268 . . . . 99.99 113.003 164.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.04 -139.73 3.1 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.384 -0.826 . . . . 99.99 112.388 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 363' ' ' GLU . . . . . 0.449 ' HG3' HG23 ' E' ' 364' ' ' THR . 15.2 pt-20 -157.42 -34.52 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.428 0.614 . . . . 99.99 112.067 -170.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 364' ' ' THR . . . . . 0.449 HG23 ' HG3' ' E' ' 363' ' ' GLU . 40.9 p -86.38 105.09 16.47 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.092 0.472 . . . . 99.99 111.149 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 365' ' ' VAL . . . . . 0.517 HG21 HD13 ' D' ' 51' ' ' LEU . 21.6 t -106.25 158.93 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.965 1.306 . . . . 99.99 109.315 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 366' ' ' ASP . . . . . 0.708 ' HB2' ' HB3' ' C' ' 33' ' ' GLN . 17.1 t70 -122.48 113.24 19.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.678 0.391 . . . . 99.99 110.32 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 367' ' ' LEU . . . . . 0.428 HD23 ' H ' ' E' ' 367' ' ' LEU . 2.7 pt? -83.03 -13.44 55.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.165 0.986 . . . . 99.99 112.855 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.67 -24.56 67.7 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 113.517 0.932 . . . . 99.99 113.517 -161.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' E' ' 302' ' ' ASP . 41.9 mt-10 -63.42 -21.96 66.6 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.338 0.866 . . . . 99.99 113.338 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -52.56 -17.89 1.47 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.607 1.336 . . . . 99.99 114.607 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 57.9 t -72.96 -30.44 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.355 0 C-N-CA 123.666 0.787 . . . . 99.99 112.24 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.441 HE22 HD22 ' E' ' 300' ' ' ASN . 3.3 pt20 -63.52 -16.89 62.02 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.731 1.011 . . . . 99.99 113.731 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -58.0 -21.29 44.17 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.09 1.145 . . . . 99.99 114.09 -174.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.69 74.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.398 0.279 . . . . 99.99 111.006 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.59 -35.39 65.41 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.54 0.736 . . . . 99.99 110.637 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.87 -37.26 81.52 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.351 0.596 . . . . 99.99 110.58 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 377' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' E' ' 2' ' ' LYS . 40.9 t80 -77.79 -37.03 49.73 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.866 -0.606 . . . . 99.99 109.759 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.08 -23.2 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.915 0.886 . . . . 99.99 111.828 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 379' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' E' ' 381' ' ' GLU . 17.3 tppt? -54.55 -41.86 70.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.99 0.916 . . . . 99.99 110.318 172.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? 62.03 19.01 10.45 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.211 1.004 . . . . 99.99 111.822 170.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 381' ' ' GLU . . . . . 0.423 ' HB2' ' HG3' ' E' ' 379' ' ' LYS . 8.7 tp10 -90.99 147.93 22.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.525 -0.734 . . . . 99.99 112.081 -167.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 163.7 153.58 7.38 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 109.877 -1.289 . . . . 99.99 109.877 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.34 -71.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 384' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' B' ' 43' ' ' ASP . 32.8 m 60.6 75.47 0.41 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.067 0.947 . . . . 99.99 110.165 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 53.9 tp -76.35 143.71 40.59 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.149 -0.932 . . . . 99.99 109.93 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.96 104.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 N-CA-C 107.589 -1.263 . . . . 99.99 107.589 167.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 387' ' ' ILE . . . . . 0.685 ' HB ' ' HB2' ' B' ' 45' ' ' ASP . 52.4 mt -90.29 146.08 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.5 117.33 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 172.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.3 m -65.02 154.34 38.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.395 1.078 . . . . 99.99 111.347 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 390' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' B' ' 79' ' ' GLN . . . -48.73 111.42 0.46 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.502 1.121 . . . . 99.99 111.823 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.46 163.44 27.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.391 1.476 . . . . 99.99 109.087 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 59.1 t60 85.5 -31.77 0.05 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.637 1.575 . . . . 99.99 110.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -65.58 98.33 0.36 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.998 -1.112 . . . . 99.99 107.998 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -74.13 -62.81 1.38 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.683 -0.689 . . . . 99.99 110.917 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -179.58 -168.38 0.12 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.997 0.919 . . . . 99.99 109.137 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 396' ' ' SER . . . . . 0.472 ' HA ' HG13 ' A' ' 31' ' ' VAL . 37.0 m -62.01 -30.47 70.98 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.431 0.457 . . . . 99.99 110.673 171.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 74.27 -18.08 0.43 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.448 1.499 . . . . 99.99 112.668 168.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 15.8 tt 34.46 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 126.676 1.99 . . . . 99.99 112.807 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.0 131.65 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.655 -0.702 . . . . 99.99 109.433 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -76.13 109.14 7.49 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.715 0.806 . . . . 99.99 110.627 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -84.71 150.95 11.42 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.869 2.379 . . . . 99.99 110.615 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.97 -20.6 0.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.861 0.864 . . . . 99.99 112.05 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 47.3 m -69.17 147.61 51.09 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.253 1.421 . . . . 99.99 109.759 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 73.76 0.01 3.5 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.267 1.427 . . . . 99.99 111.394 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 48.09 66.55 5.53 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 125.112 1.365 . . . . 99.99 111.03 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.36 74.35 5.48 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.808 2.339 . . . . 99.99 112.019 -171.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -100.43 47.92 1.22 Allowed Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.194 -0.912 . . . . 99.99 110.9 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.81 84.8 4.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.555 0.742 . . . . 99.99 109.615 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 91.0 m -147.55 120.01 8.48 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.374 -0.972 . . . . 99.99 108.374 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -59.32 117.03 4.34 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 124.114 0.884 . . . . 99.99 109.631 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -154.02 -18.75 0.13 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.726 0.81 . . . . 99.99 111.011 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 53.2 tp -72.73 118.53 15.78 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.102 0.561 . . . . 99.99 109.73 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -84.04 -168.19 2.05 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.2 m 68.76 16.14 8.94 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.493 1.14 . . . . 99.99 110.205 -172.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -67.28 -18.22 65.11 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.218 1.407 . . . . 99.99 110.101 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.55 25.23 0.78 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.074 1.749 . . . . 99.99 110.828 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 71.95 -81.75 0.54 Allowed Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.284 -0.726 . . . . 99.99 111.284 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -149.14 36.79 0.76 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 99.99 108.902 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 74.6 t 73.88 -58.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 125.733 1.613 . . . . 99.99 110.046 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.2 ptp -61.34 -16.64 48.12 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.735 1.214 . . . . 99.99 111.904 171.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.2 t 63.29 -93.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.324 1.45 . . . . 99.99 109.638 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 27.2 ttt 164.11 74.37 0.0 OUTLIER 'General case' 0 C--O 1.238 0.47 0 C-N-CA 127.02 2.128 . . . . 99.99 105.64 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.1 p -74.11 80.92 1.75 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.663 -0.698 . . . . 99.99 110.047 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -112.88 -9.05 13.68 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.61 1.164 . . . . 99.99 110.066 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -87.0 -5.53 80.6 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-O 119.509 -0.606 . . . . 99.99 113.538 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 51.7 t30 71.66 -78.71 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.407 1.483 . . . . 99.99 111.488 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 21.5 p -120.33 157.21 29.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.921 0.889 . . . . 99.99 110.776 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.34 -65.34 1.02 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.411 0.685 . . . . 99.99 111.538 -167.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.85 -36.21 83.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.667 0.787 . . . . 99.99 111.296 -173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.47 -20.9 63.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.548 1.139 . . . . 99.99 111.88 -173.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 39.5 m -64.39 -42.16 96.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.279 0.632 . . . . 99.99 110.139 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -80.69 -52.98 6.94 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 99.99 109.818 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -164.63 -87.28 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.582 -1.266 . . . . 99.99 107.582 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -168.97 -52.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.66 1.584 . . . . 99.99 106.932 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 145' ' ' ALA . 24.6 m 68.99 146.01 0.05 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.287 1.435 . . . . 99.99 110.899 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 84.73 -178.17 51.27 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-O 119.535 -0.592 . . . . 99.99 111.671 -172.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 14.8 t 68.9 16.92 8.78 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.995 0.918 . . . . 99.99 111.041 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -104.83 -28.42 11.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.578 0.751 . . . . 99.99 110.664 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 59.65 -155.38 0.35 Allowed 'General case' 0 CA--C 1.553 1.095 0 O-C-N 124.449 1.093 . . . . 99.99 110.436 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 71.34 82.68 0.15 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.864 0.865 . . . . 99.99 111.132 169.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 441' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 5' ' ' ASN . 37.6 mm -126.07 -50.0 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 172.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -93.47 -178.85 4.86 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.761 -0.654 . . . . 99.99 110.388 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -82.11 -64.16 1.24 Allowed 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.354 0.661 . . . . 99.99 111.543 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -135.28 4.07 3.15 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.703 0.631 . . . . 99.99 112.703 -170.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 161.24 -149.84 19.05 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 118.712 0.687 . . . . 99.99 113.675 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -100.59 130.46 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.697 0 C-N-CA 123.576 2.851 . . . . 99.99 112.335 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 447' ' ' HIS . . . . . 0.723 ' HB3' HG21 ' E' ' 451' ' ' VAL . 26.9 t-80 -75.73 -48.09 23.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -172.74 -76.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.895 1.278 . . . . 99.99 107.941 170.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -176.66 -62.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.906 1.283 . . . . 99.99 108.042 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.1 82.5 8.4 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.684 -1.144 . . . . 99.99 110.486 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.723 HG21 ' HB3' ' E' ' 447' ' ' HIS . 4.9 t -121.81 -43.56 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 115.51 -0.768 . . . . 99.99 109.558 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 11' ' ' PHE . 2.9 p -116.16 131.58 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.155 0.582 . . . . 99.99 109.664 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -93.62 80.89 1.02 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.761 HD22 ' SG ' ' A' ' 97' ' ' CYS . 94.6 mt -123.59 -51.16 1.84 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.184 0.594 . . . . 99.99 112.072 -174.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 m 72.64 9.15 5.65 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.394 1.078 . . . . 99.99 110.86 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 41.6 t0 70.12 -77.51 0.05 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.391 1.877 . . . . 99.99 113.63 172.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 457' ' ' GLN . . . . . 0.488 ' HG3' HG23 ' E' ' 458' ' ' THR . 28.6 pt20 -154.04 -154.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.582 0.353 . . . . 99.99 111.682 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.488 HG23 ' HG3' ' E' ' 457' ' ' GLN . 58.7 p 79.13 89.45 0.06 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 127.441 2.296 . . . . 99.99 112.686 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -147.07 -165.91 2.37 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 106.271 -1.751 . . . . 99.99 106.271 168.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.599 ' HB3' ' HA ' ' A' ' 131' ' ' VAL . 3.4 tm? -62.44 102.03 0.28 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.99 1.268 . . . . 99.99 108.316 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 6.9 m-85 -64.01 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.648 0.593 . . . . 99.99 110.27 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.566 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 49.1 t80 -168.52 94.12 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.936 0.789 . . . . 99.99 108.936 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 5.7 t -164.62 -43.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.909 0.883 . . . . 99.99 109.747 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 14.4 mmt 71.15 -65.0 0.36 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.205 1.402 . . . . 99.99 112.45 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? 80.63 -37.34 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.403 1.481 . . . . 99.99 111.006 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -139.23 166.71 23.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.054 0.942 . . . . 99.99 110.181 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -107.24 -90.66 0.43 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.275 0.63 . . . . 99.99 110.697 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.99 162.92 29.12 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.929 0.492 . . . . 99.99 110.796 -176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -106.58 55.6 0.53 Allowed Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.532 -0.627 . . . . 99.99 111.532 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.468 HD11 ' CH2' ' A' ' 36' ' ' TRP . 6.3 tt -89.1 -78.44 0.35 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 126.095 1.758 . . . . 99.99 113.78 -177.676 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' E' ' 447' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.689 0.255 . . . . 99.99 111.689 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -134.45 18.64 3.64 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.554 0.742 . . . . 99.99 110.186 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' E' ' 450' ' ' ASN . 0.0 OUTLIER -134.78 -72.7 0.47 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.945 0.898 . . . . 99.99 108.597 -172.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -85.63 -12.26 51.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.216 1.007 . . . . 99.99 109.422 168.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 1' ' ' MET . 2.2 t-20 67.52 -90.7 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.368 1.467 . . . . 99.99 109.457 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -169.03 33.32 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 m 71.29 5.4 5.43 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.225 1.41 . . . . 99.99 111.49 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' HB3' ' HA ' ' E' ' 157' ' ' MET . 38.9 mt-10 -74.54 107.87 6.94 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.888 -1.153 . . . . 99.99 107.888 168.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -68.91 133.5 48.31 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 123.527 0.517 . . . . 99.99 111.468 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -141.75 120.06 12.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.913 1.285 . . . . 99.99 108.756 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 85' ' ' SER . 46.8 t80 -130.35 140.19 50.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.938 0.495 . . . . 99.99 110.098 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 139.05 4.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.313 1.045 . . . . 99.99 109.108 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 87.02 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 27.8 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 12.57 107.845 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' HB1' ' E' ' 322' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 37.56 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 5.43 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 6.92 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 5.61 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 12.68 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 32.78 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' E' ' 470' ' ' LEU . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 57.34 111.582 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HD22 ' E' ' 468' ' ' LEU . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 48.36 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD12 ' SD ' ' E' ' 464' ' ' MET . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 97.85 107.699 -173.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.474 ' HB ' ' HG ' ' E' ' 460' ' ' LEU . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 43.33 109.829 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 41.53 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 88.8 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 73.87 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' OG ' ' A' ' 2' ' ' SER . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.427 ' HE1' HD11 ' E' ' 454' ' ' LEU . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.619 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.04 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 54.22 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 29.36 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 19.86 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 13.6 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 17.22 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 14.92 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 21.43 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 23.61 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 57.75 109.96 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 93.1 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 30.12 111.331 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 22.88 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 30.01 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 14.44 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 9.47 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.658 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 20.02 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 66.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 39.9 m -89.82 110.71 21.62 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.47 124.98 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.068 0.547 . . . . 99.99 109.892 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.78 157.79 19.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.304 1.041 . . . . 99.99 109.555 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.35 -2.08 31.06 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 115.34 0.896 . . . . 99.99 115.34 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.538 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 1.9 mp -113.04 165.82 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' E' ' 344' ' ' GLU . 0.1 OUTLIER -134.41 173.81 11.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.675 0.79 . . . . 99.99 111.204 -176.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.24 -153.45 45.84 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 115.449 -0.796 . . . . 99.99 114.445 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -68.14 -22.42 64.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.565 0.746 . . . . 99.99 110.989 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.3 -41.08 97.03 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.674 1.19 . . . . 99.99 110.792 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.538 ' SD ' ' HB ' ' A' ' 89' ' ' ILE . 14.5 tpt -71.59 -39.87 70.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.706 0.803 . . . . 99.99 110.463 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.36 65.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.294 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -92.21 -20.72 20.89 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.744 0.818 . . . . 99.99 112.03 173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.29 -37.76 88.52 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.1 0.476 . . . . 99.99 110.203 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.492 HD21 HG21 ' E' ' 452' ' ' VAL . 1.2 pp -103.13 -9.69 19.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 95.56 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 94.48 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.4 ' SG ' ' HE1' ' A' ' 11' ' ' PHE . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 73.2 112.132 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 48.9 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 94.19 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 55.88 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 21.71 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 15.39 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 9.95 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 20.66 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 7.34 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.537 HH12 HD12 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 15.45 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 4.41 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 7.34 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 7.28 111.254 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 4.96 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 48.88 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 26.6 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 17.97 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 8.38 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.509 ' O ' HG22 ' A' ' 122' ' ' THR . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 121' ' ' GLY . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 20.1 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 13.71 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 20.05 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 56.76 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 62.97 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 56.46 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 77.42 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t -136.3 117.07 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -107.45 101.85 11.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.946 0.498 . . . . 99.99 109.692 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -88.56 -27.83 21.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.089 0.555 . . . . 99.99 110.974 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.58 -52.01 43.67 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.404 0.44 . . . . 99.99 111.491 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.04 79.9 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.373 0.421 . . . . 99.99 110.556 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.73 -43.76 97.98 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.297 1.039 . . . . 99.99 111.322 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -75.1 -47.53 28.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.805 0.842 . . . . 99.99 110.204 -174.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 25.5 mmt -59.56 -53.95 52.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.601 0.76 . . . . 99.99 110.38 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -45.6 -56.6 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.96 1.304 . . . . 99.99 111.533 174.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -67.36 -37.63 83.51 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.617 -0.719 . . . . 99.99 111.801 -175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.2 -51.04 41.85 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.979 0.512 . . . . 99.99 112.297 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -171.18 -0.53 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.564 0.54 . . . . 99.99 111.537 -166.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 67.57 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.252 1.421 . . . . 99.99 109.627 -163.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.48 -80.46 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.476 1.51 . . . . 99.99 109.943 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 63.38 -165.04 0.24 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.625 1.17 . . . . 99.99 112.251 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.8 -86.45 0.24 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.531 -1.427 . . . . 99.99 109.531 173.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.56 155.64 48.3 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.536 1.135 . . . . 99.99 108.695 174.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.25 54.48 0.26 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.952 -0.459 . . . . 99.99 111.952 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.1 p 45.66 71.91 0.25 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.18 1.392 . . . . 99.99 111.587 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.726 ' HG2' ' H ' ' E' ' 149' ' ' LYS . 1.6 mp0 -79.07 -0.61 32.14 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.715 -1.13 . . . . 99.99 111.12 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 57.77 78.44 0.24 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.572 -1.269 . . . . 99.99 107.572 -155.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.41 77.99 2.47 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 122.269 1.033 . . . . 99.99 109.354 -170.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -142.55 173.49 11.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.982 1.713 . . . . 99.99 106.684 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.03 104.73 0.17 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.584 0.707 . . . . 99.99 111.205 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.472 1.109 . . . . 99.99 110.473 -175.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.259 -0.274 . . . . 99.99 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -81.97 -69.4 0.62 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.368 0.667 . . . . 99.99 110.637 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -37.71 56.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.278 1.031 . . . . 99.99 110.453 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 178.35 -67.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.061 1.345 . . . . 99.99 108.598 -166.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.6 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 60.3 t30 -113.41 -39.13 4.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.61 0.967 . . . . 99.99 113.61 -161.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 82.8 135.39 0.06 Allowed 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 126.135 1.774 . . . . 99.99 109.687 -169.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.5 p 53.53 29.74 9.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.653 1.581 . . . . 99.99 110.938 -166.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.6 ' HB2' ' HB3' ' B' ' 5' ' ' ASN . 9.5 tp10 -86.94 129.35 34.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.31 1.044 . . . . 99.99 108.983 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.575 ' SD ' ' HD1' ' B' ' 11' ' ' PHE . 0.0 OUTLIER 65.94 166.74 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.032 1.333 . . . . 99.99 110.793 -170.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.7 p -148.97 103.31 3.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.065 1.346 . . . . 99.99 107.392 169.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.575 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 45.0 p90 -146.83 147.61 31.04 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 93.55 112.432 170.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 40.88 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 85.25 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.536 HH22 ' HB ' ' E' ' 129' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 95.33 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 13.6 108.092 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 23.1 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 6.51 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 19.94 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 5.14 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 19.25 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 9.84 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HG2' HD22 ' E' ' 321' ' ' LEU . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 18.09 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' E' ' 318' ' ' VAL . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.495 ' O ' HG13 ' B' ' 31' ' ' VAL . 18.5 m120 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 49.39 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 98.87 110.553 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 72.1 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' E' ' 310' ' ' PRO . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.768 ' HB3' ' HB3' ' E' ' 7' ' ' ALA . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 96.73 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.655 HD23 HD12 ' E' ' 11' ' ' LEU . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 67.27 108.689 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 66.97 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 35.64 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 74.75 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 43.74 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 89.61 109.307 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 57' ' ' GLU . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 85.91 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.438 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 76.71 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 98.07 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 57.34 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 21.57 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 62.33 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.469 ' HD2' HE21 ' B' ' 79' ' ' GLN . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 95.32 109.389 -178.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 14.84 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 28.15 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 18.14 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 24.35 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 26.44 110.412 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.539 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 56.64 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 62.67 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 81.37 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 33.32 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.539 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 25.99 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 18.76 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 16.93 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 12.76 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 8.91 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.469 HE21 ' HD2' ' B' ' 61' ' ' ARG . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 33.15 107.526 166.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.531 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 11.78 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 39.34 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.501 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 63.88 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 82.93 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.691 HG12 HG11 ' E' ' 18' ' ' VAL . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 98.2 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' E' ' 21' ' ' ALA . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.691 ' HA ' HD12 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 71.23 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.454 ' HA3' ' HE2' ' B' ' 137' ' ' PHE . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 59.87 111.971 172.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 71.19 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 50.37 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 36.29 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 87.59 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 37.19 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 13.07 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 10.37 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 12.29 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 8.75 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' B' ' 128' ' ' LEU . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 59.14 110.928 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 13.3 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 9.86 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 13.13 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.02 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 26.78 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 13.3 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 29.79 113.127 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.477 ' HA ' ' ND2' ' C' ' 127' ' ' ASN . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 23.15 112.195 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 23.84 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 29.89 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 72.13 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 73.04 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' E' ' 6' ' ' ILE . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 90.81 111.903 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 43.15 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.538 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 61.27 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.57 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' B' ' 135' ' ' ALA . 23.1 p-10 -80.18 70.87 6.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.31 -34.48 42.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.787 -0.642 . . . . 99.99 110.102 -170.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.91 -41.37 99.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.011 -0.995 . . . . 99.99 109.873 172.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' B' ' 132' ' ' ASN . . . -77.59 -23.84 49.82 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.256 0.973 . . . . 99.99 111.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.82 -54.85 28.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.754 0.822 . . . . 99.99 108.794 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.454 ' HE2' ' HA3' ' B' ' 99' ' ' GLY . 13.1 m-85 -69.47 -33.85 73.49 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.255 -0.884 . . . . 99.99 111.333 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 38.5 ttp -62.95 -35.38 79.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.862 0.465 . . . . 99.99 111.32 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -79.55 -34.26 41.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.151 -0.932 . . . . 99.99 111.086 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -71.46 -41.94 68.78 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.046 -0.525 . . . . 99.99 109.674 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 55.8 mt -88.06 15.62 7.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.52 1.128 . . . . 99.99 110.81 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.481 ' HG3' ' HG3' ' E' ' 88' ' ' GLU . 60.3 tt0 -64.28 -60.05 3.66 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 122.936 0.494 . . . . 99.99 110.157 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 62.95 -66.34 0.09 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.676 1.59 . . . . 99.99 111.348 -172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -60.3 89.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.973 1.309 . . . . 99.99 111.513 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -143.47 95.57 2.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.465 1.106 . . . . 99.99 108.787 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.03 13.12 66.33 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-N 115.632 -0.713 . . . . 99.99 114.096 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 53.47 68.67 0.81 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.582 1.153 . . . . 99.99 111.218 -171.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.5 27.98 71.71 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.45 -0.795 . . . . 99.99 114.74 170.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.9 t -153.01 149.65 28.4 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.122 0.461 . . . . 99.99 110.249 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -87.22 -81.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.419 -0.956 . . . . 99.99 108.419 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 55.02 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.407 1.483 . . . . 99.99 114.322 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.9 m80 58.33 32.33 21.94 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.837 1.255 . . . . 99.99 110.781 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.07 133.73 51.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.071 0.548 . . . . 99.99 110.415 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.63 104.96 1.07 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.688 0.795 . . . . 99.99 109.151 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.56 -0.904 . . . . 99.99 108.56 178.392 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.362 -0.606 . . . . 99.99 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -75.71 85.42 2.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.474 0.71 . . . . 99.99 109.369 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -87.46 153.69 21.23 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.998 -1.001 . . . . 99.99 110.609 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 69.9 -84.54 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.359 1.464 . . . . 99.99 110.853 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -174.7 -47.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.111 0.964 . . . . 99.99 109.099 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 72.22 129.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.984 1.713 . . . . 99.99 113.051 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.51 HG22 ' HG3' ' C' ' 8' ' ' GLU . 25.9 m -138.95 -88.33 0.22 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 123.522 0.729 . . . . 99.99 110.448 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' C' ' 7' ' ' THR . 43.2 mt-10 -141.62 3.59 1.69 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 123.223 0.609 . . . . 99.99 112.419 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.49 ' HA ' ' HA3' ' C' ' 88' ' ' GLY . 73.7 mtp 65.99 138.16 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.188 1.395 . . . . 99.99 112.638 -174.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 22.9 m -86.86 81.43 8.15 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.717 -1.216 . . . . 99.99 107.717 173.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 -114.28 148.85 36.84 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.564 -1.198 . . . . 99.99 109.233 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 56.3 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 93.16 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 11.74 107.512 168.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.516 HG22 HE22 ' C' ' 80' ' ' GLN . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 6.91 108.81 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 21.95 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 5.12 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 9.28 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 8.82 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 12.04 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 30.41 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 48.75 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 55.24 111.569 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.725 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 88.6 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 68.93 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 87.15 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.469 HD23 ' H ' ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 94.05 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 71.87 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 62.96 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 35.73 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 56.22 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 43.42 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.556 HD11 HD12 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 94.06 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' C' ' 87' ' ' ALA . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 81.86 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.45 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 29.6 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 20.9 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 69.19 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 14.53 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.42 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 17.7 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 29.53 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 32.22 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 59.66 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 97.29 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 76.35 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.725 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 37.0 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 34.06 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 39.96 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.459 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 16.54 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 9.25 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 25.23 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.516 HE22 HG22 ' C' ' 18' ' ' THR . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 10.6 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.463 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 51' ' ' LEU . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 30.38 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt -114.73 109.76 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.672 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -151.08 -179.13 7.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.144 0.978 . . . . 99.99 110.294 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 115.46 -47.63 1.02 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.645 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 34.6 mt 58.32 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.783 1.233 . . . . 99.99 111.453 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.738 ' HB3' ' HB2' ' C' ' 93' ' ' GLN . 0.3 OUTLIER -98.59 17.06 20.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.86 0.864 . . . . 99.99 111.337 176.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.13 -111.62 3.98 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.416 0.447 . . . . 99.99 112.777 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -65.54 -39.14 91.41 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.465 1.106 . . . . 99.99 111.203 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' C' ' 90' ' ' GLU . 49.0 mt-30 -65.57 -43.21 90.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.058 0.543 . . . . 99.99 109.913 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.8 ttt -64.85 -38.21 90.21 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.694 0.797 . . . . 99.99 111.224 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.719 ' HB1' ' HG2' ' E' ' 273' ' ' GLN . . . -65.13 -34.24 77.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.105 -0.952 . . . . 99.99 111.148 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -70.71 -38.77 73.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.449 0.7 . . . . 99.99 110.467 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m -63.59 -50.86 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.918 0.487 . . . . 99.99 111.279 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 68.51 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' C' ' 134' ' ' ASP . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 56.52 111.618 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.451 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 56.59 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 39.21 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.537 HD12 HH12 ' A' ' 111' ' ' ARG . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 8.71 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.463 HD21 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 37.06 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 16.74 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 9.85 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 5.88 110.358 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 7.64 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 20.64 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 13.9 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 8.58 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 115' ' ' THR . . . . . 0.501 HG23 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 8.54 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 6.56 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.539 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 5.22 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 28.53 110.308 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 17.6 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 15.17 112.505 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 24.81 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.449 ' HG3' ' H ' ' E' ' 298' ' ' HIS . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 29.42 111.295 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.501 ' HB2' HG23 ' C' ' 115' ' ' THR . 0.3 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.616 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 59.85 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' B' ' 122' ' ' THR . 83.5 m-20 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 41.85 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 38.57 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 24.62 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 24.48 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' VAL . . . . . 0.483 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 68.05 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.04 -26.05 67.35 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.682 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 34.8 t70 -57.84 -37.47 73.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.73 0.812 . . . . 99.99 111.022 177.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.47 68.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.04 -0.982 . . . . 99.99 111.751 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.53 ' HA ' ' HB2' ' C' ' 139' ' ' ASN . 75.7 mt -62.69 -20.89 65.31 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.328 0.862 . . . . 99.99 113.328 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -61.22 -39.86 91.84 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.839 0.456 . . . . 99.99 110.827 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -42.63 30.72 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.841 0.857 . . . . 99.99 110.399 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 139' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' C' ' 136' ' ' LEU . 5.8 m-20 -55.26 -35.0 64.52 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.383 1.073 . . . . 99.99 111.57 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.61 -86.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 O-C-N 123.967 0.792 . . . . 99.99 110.344 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 17.7 tp -175.71 -92.1 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -141.59 -154.63 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 143' ' ' GLN . . . . . 0.508 ' HG3' ' HA ' ' E' ' 272' ' ' ASN . 0.7 OUTLIER -67.77 94.55 0.46 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.388 -0.967 . . . . 99.99 108.388 171.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.27 142.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.842 1.257 . . . . 99.99 111.414 -175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -81.62 93.65 6.77 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 107.188 -1.412 . . . . 99.99 107.188 164.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.27 -50.77 62.05 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 124.023 0.827 . . . . 99.99 113.597 -170.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.94 154.13 21.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.387 0.675 . . . . 99.99 109.701 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.43 -108.69 2.04 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-O 119.272 -0.738 . . . . 99.99 111.853 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.4 m 58.49 70.89 0.62 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.684 1.194 . . . . 99.99 109.626 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.68 -83.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.129 1.372 . . . . 99.99 108.46 -166.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -166.43 161.05 16.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.729 1.212 . . . . 99.99 108.529 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -82.7 12.14 5.07 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.491 0.716 . . . . 99.99 111.672 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -48.16 70.65 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.171 0.989 . . . . 99.99 108.551 169.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.63 163.68 0.23 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.707 1.603 . . . . 99.99 111.463 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.15 0.98 . . . . 99.99 109.136 -179.083 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 61.64 78.54 0.28 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.586 1.154 . . . . 99.99 110.962 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.72 175.57 10.5 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.546 0.738 . . . . 99.99 110.465 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.82 132.91 37.03 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.791 -0.818 . . . . 99.99 108.791 170.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.11 143.46 56.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.327 1.051 . . . . 99.99 111.438 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -51.09 -52.86 39.42 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.397 1.079 . . . . 99.99 111.588 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m 60.02 -77.35 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.691 1.596 . . . . 99.99 112.532 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -86.65 -30.74 21.53 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.331 1.052 . . . . 99.99 111.854 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -28.5 123.92 0.11 Allowed 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.715 1.606 . . . . 99.99 113.772 -169.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.568 HG21 ' HD2' ' E' ' 94' ' ' PHE . 49.9 p -108.53 147.11 32.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.145 0.578 . . . . 99.99 110.982 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.442 ' H ' ' HA2' ' E' ' 91' ' ' GLY . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 76.43 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.573 HD13 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 14' ' ' GLN . . . . . 0.54 ' HG2' ' HA ' ' E' ' 304' ' ' PRO . 43.8 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 79.46 112.345 -172.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.538 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 53.22 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.716 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 19.87 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 8.43 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 36.9 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 4.02 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 7.64 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 5.08 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 7.19 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 13.41 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 12.01 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 20.55 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 22.26 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 34.6 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 31.63 108.237 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' TRP . . . . . 0.445 ' CH2' ' HA ' ' E' ' 45' ' ' ARG . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 49.29 109.364 171.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 31.29 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 52.79 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' E' ' 121' ' ' VAL . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 74.77 106.747 170.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.627 HD21 HG11 ' E' ' 121' ' ' VAL . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 66.01 112.311 -163.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 77.52 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 38.8 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 48.36 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 52.73 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.71 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 82.32 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 96.95 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' D' ' 85' ' ' SER . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 82.8 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' D' ' 97' ' ' CYS . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.556 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 44.56 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 19.48 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 52.2 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 9.25 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 10.79 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 40' ' ' VAL . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 9.72 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 19.36 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 11.33 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 29.87 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.422 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 24.97 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 27.84 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 11.35 111.782 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.558 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 10.67 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 7.73 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 11.05 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 5.05 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 21.68 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.29 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 43.57 109.403 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.447 ' HA ' HG22 ' D' ' 55' ' ' VAL . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 77.58 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 88.57 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 88' ' ' GLY . . . . . 0.688 ' H ' ' HA3' ' E' ' 96' ' ' GLY . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.557 ' SD ' HG23 ' E' ' 97' ' ' ILE . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 88.9 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 97' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 95.17 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.556 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 66.02 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 54.11 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 40.76 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' D' ' 103' ' ' PRO . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 34.31 111.842 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 28.69 114.071 167.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 61.29 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.573 HG21 HD13 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 19.65 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 13.09 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 10.47 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 6.22 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 10.48 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 4.16 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 10.22 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.39 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.599 HG12 ' SG ' ' D' ' 76' ' ' CYS . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 5.37 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 115' ' ' THR . . . . . 0.521 HG21 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 7.06 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 6.71 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 5.08 111.662 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 5.65 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 10.21 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 6.99 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 18.26 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 20.06 112.21 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 16.85 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 14.84 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' E' ' 126' ' ' ALA . 10.5 t30 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 76.73 109.836 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.539 HD11 HD12 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 20.32 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' E' ' 125' ' ' ALA . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 28.37 111.407 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.411 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 32.68 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.462 HG21 HG22 ' E' ' 121' ' ' VAL . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 69.78 110.291 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.401 ' HB3' ' H ' ' D' ' 135' ' ' ALA . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.4 -59.21 5.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' D' ' 138' ' ' MET . . . -63.51 -29.66 70.89 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.025 0.93 . . . . 99.99 111.701 -177.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.462 HD11 HD22 ' D' ' 44' ' ' LEU . 1.1 tt -62.6 -41.38 98.93 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.101 1.361 . . . . 99.99 110.13 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.35 -31.03 54.14 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 114.33 -1.305 . . . . 99.99 111.43 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' D' ' 135' ' ' ALA . 21.8 mmt -54.63 -28.08 44.2 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.106 0.962 . . . . 99.99 113.111 -174.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -49.44 -50.94 38.7 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.455 1.102 . . . . 99.99 111.279 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -53.82 -31.64 49.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.628 1.171 . . . . 99.99 113.052 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.78 -38.48 46.59 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.367 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -94.04 -0.09 55.65 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 113.733 1.012 . . . . 99.99 113.733 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -119.41 99.69 6.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -136.71 -18.16 1.42 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.802 -0.635 . . . . 99.99 110.753 -171.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -160.94 -28.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.844 0.858 . . . . 99.99 110.014 168.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 177.95 -104.43 0.19 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 109.988 -1.245 . . . . 99.99 109.988 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.93 106.85 1.07 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.64 0.776 . . . . 99.99 110.034 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.52 110.48 2.07 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-O 119.888 -0.396 . . . . 99.99 113.571 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.9 p 56.6 22.64 6.88 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.45 1.5 . . . . 99.99 114.082 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -30.85 9.52 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.188 0.995 . . . . 99.99 110.764 176.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -177.52 -51.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.547 1.539 . . . . 99.99 107.05 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -83.48 72.47 10.26 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.756 -0.831 . . . . 99.99 108.756 171.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -83.65 71.58 10.37 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 107.666 -1.235 . . . . 99.99 107.666 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -167.19 147.96 5.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.02 -1.445 . . . . 99.99 108.724 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.217 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tmm? . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.844 -0.799 . . . . 99.99 108.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.3 136.16 39.6 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.428 0.691 . . . . 99.99 111.957 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' E' ' 308' ' ' CYS . 3.9 pt20 -105.43 -9.59 17.44 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.828 0.851 . . . . 99.99 112.257 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -80.27 -1.28 40.12 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.431 0.692 . . . . 99.99 112.844 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.462 ' O ' ' HE2' ' E' ' 303' ' ' LYS . 86.8 m -121.54 121.23 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.947 -1.131 . . . . 99.99 107.947 173.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' B' ' 128' ' ' LEU . 48.4 mm 66.49 144.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 124.543 1.137 . . . . 99.99 111.283 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.768 ' HB3' ' HB3' ' B' ' 42' ' ' LEU . . . -150.32 127.24 11.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.698 0.399 . . . . 99.99 110.447 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.529 ' HA ' HD11 ' B' ' 44' ' ' LEU . 41.4 tp 171.41 109.23 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 O-C-N 125.506 1.754 . . . . 99.99 107.548 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.62 166.08 2.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.82 -56.04 0.31 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.674 1.589 . . . . 99.99 111.96 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.655 HD12 HD23 ' B' ' 44' ' ' LEU . 5.9 mp 68.33 166.26 0.12 Allowed Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 123.975 0.91 . . . . 99.99 109.583 -169.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.6 -68.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 121.407 1.404 . . . . 99.99 110.941 168.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -179.85 92.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 106.199 -1.778 . . . . 99.99 106.199 174.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 67.4 tp 71.49 123.76 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 O-C-N 124.443 1.09 . . . . 99.99 111.053 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.43 1.19 52.24 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.143 0.794 . . . . 99.99 113.143 -173.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -164.29 123.51 1.28 Allowed Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 122.736 0.415 . . . . 99.99 111.035 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -84.19 63.75 6.91 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.978 2.452 . . . . 99.99 112.177 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.691 HG11 HG12 ' B' ' 86' ' ' ILE . 27.5 m -76.33 76.38 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 122.942 1.353 . . . . 99.99 112.336 -174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.1 p -86.9 -175.1 5.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.518 -1.219 . . . . 99.99 110.804 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.584 ' HZ2' ' HB2' ' E' ' 20' ' ' LYS . 8.1 mtmp? 76.33 -68.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.071 1.748 . . . . 99.99 110.787 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.75 ' HA ' ' HB1' ' B' ' 87' ' ' ALA . . . 67.6 85.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.626 1.171 . . . . 99.99 112.338 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -76.35 96.47 4.01 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.944 0.498 . . . . 99.99 110.466 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -132.7 105.02 12.92 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 123.97 0.908 . . . . 99.99 109.007 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.79 120.64 5.9 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 121.423 1.416 . . . . 99.99 110.819 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.2 -150.38 0.23 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.221 1.008 . . . . 99.99 110.576 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' MET . . . . . 0.563 ' H ' ' HD2' ' E' ' 27' ' ' PRO . 59.7 mtt -125.91 -50.03 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.275 0 CA-C-O 117.706 -1.14 . . . . 99.99 111.946 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.563 ' HD2' ' H ' ' E' ' 26' ' ' MET . 56.8 Cg_endo -69.86 81.94 0.81 Allowed 'Trans proline' 0 C--N 1.398 3.146 0 CA-C-N 121.753 1.662 . . . . 99.99 111.711 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -93.96 -178.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.922 1.289 . . . . 99.99 110.652 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 71.57 -69.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.218 1.407 . . . . 99.99 110.861 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 58.72 -86.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.479 1.112 . . . . 99.99 111.944 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -120.86 57.72 0.97 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.928 0.891 . . . . 99.99 109.041 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' E' ' 32' ' ' ARG . 1.8 mmp_? -115.42 114.86 25.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.545 0.738 . . . . 99.99 109.791 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 33' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' E' ' 63' ' ' PRO . . . -82.78 73.23 9.83 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.156 -1.053 . . . . 99.99 108.156 171.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.64 -97.68 0.08 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 124.559 1.144 . . . . 99.99 111.015 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 46.78 50.02 13.73 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 125.151 1.381 . . . . 99.99 113.098 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.43 -110.09 0.07 OUTLIER Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.564 -0.744 . . . . 99.99 111.643 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 37' ' ' ASP . . . . . 0.436 ' O ' HG12 ' E' ' 38' ' ' ILE . 36.8 t70 -74.78 153.86 38.59 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.345 0.572 . . . . 99.99 109.501 171.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.436 HG12 ' O ' ' E' ' 37' ' ' ASP 0.26 4.1 pt 66.3 -9.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 C-N-CA 127.756 2.422 . . . . 99.99 114.39 -174.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m 56.89 -82.76 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.946 1.298 . . . . 99.99 112.353 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.95 96.87 0.86 Allowed Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.444 1.098 . . . . 99.99 109.377 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 -5.37 14.97 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.075 1.85 . . . . 99.99 113.178 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.63 -46.17 2.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 111.453 -0.659 . . . . 99.99 111.453 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.92 -150.84 22.97 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 110.144 -1.183 . . . . 99.99 110.144 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -143.33 -93.05 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.98 -0.748 . . . . 99.99 108.98 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 45' ' ' ARG . . . . . 0.445 ' HA ' ' CH2' ' D' ' 36' ' ' TRP . 2.0 tmt_? 55.99 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.77 1.228 . . . . 99.99 110.321 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.13 -55.4 0.28 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.586 1.155 . . . . 99.99 108.812 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -9.5 59.79 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.875 0.87 . . . . 99.99 111.98 -170.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.9 m 74.0 -64.67 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.716 1.607 . . . . 99.99 110.572 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.24 -154.98 14.68 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 111.259 -0.736 . . . . 99.99 111.259 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.49 -96.5 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.262 1.425 . . . . 99.99 112.201 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -17.49 64.16 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.579 1.151 . . . . 99.99 111.307 -169.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 65.2 p -63.33 -52.68 60.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.362 0.665 . . . . 99.99 111.63 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.11 -57.59 2.58 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.573 0.349 . . . . 99.99 110.533 174.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 169.32 162.73 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.12 1.768 . . . . 99.99 108.158 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.86 80.53 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 122.546 1.165 . . . . 99.99 112.486 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -133.27 137.08 45.89 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.931 1.292 . . . . 99.99 107.908 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.0 171.19 12.29 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 123.809 0.693 . . . . 99.99 111.032 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m 66.38 -102.38 0.08 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 125.387 1.475 . . . . 99.99 111.3 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.33 179.45 5.46 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.862 0.865 . . . . 99.99 110.571 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -145.36 -78.03 0.19 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 107.484 -1.302 . . . . 99.99 107.484 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t70 56.83 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.707 1.603 . . . . 99.99 113.976 168.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 6.22 88.28 0.04 OUTLIER Pre-proline 0 N--CA 1.506 2.359 0 C-N-CA 128.172 2.589 . . . . 99.99 116.92 -172.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' E' ' 33' ' ' ALA . 15.5 Cg_exo -72.33 160.22 47.52 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.985 3.123 . . . . 99.99 112.723 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.14 -66.12 0.93 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.544 0.737 . . . . 99.99 111.298 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -78.55 92.07 4.64 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 121.799 0.809 . . . . 99.99 111.126 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -80.25 147.97 30.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.135 -1.431 . . . . 99.99 107.135 162.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 7.5 tt -51.23 -39.38 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.738 0.815 . . . . 99.99 111.497 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm 74.84 -52.88 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.906 1.682 . . . . 99.99 111.202 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 tp 84.86 -24.32 0.15 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.988 1.715 . . . . 99.99 112.679 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.37 86.03 0.28 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.349 0.66 . . . . 99.99 109.69 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 mm -96.9 142.0 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.848 0.859 . . . . 99.99 109.946 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.97 -43.03 1.27 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 110.604 -0.998 . . . . 99.99 110.604 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -174.25 -168.18 0.38 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.672 1.589 . . . . 99.99 108.577 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.07 78.44 0.38 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.426 -1.069 . . . . 99.99 110.426 171.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 24.4 mmt -133.7 109.26 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.345 1.058 . . . . 99.99 108.503 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 131.02 10.46 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.536 0.523 . . . . 99.99 112.347 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.9 128.56 40.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.016 0.927 . . . . 99.99 109.68 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -76.89 -23.81 52.55 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.52 0.728 . . . . 99.99 111.807 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.41 -50.56 7.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.39 0.676 . . . . 99.99 110.712 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mm 67.43 151.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.884 1.274 . . . . 99.99 110.856 -174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m 73.36 146.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.756 1.222 . . . . 99.99 111.455 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 74.16 -0.05 3.46 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.582 1.553 . . . . 99.99 113.249 171.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 143.95 36.75 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.097 0.559 . . . . 99.99 110.771 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.03 162.32 18.36 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.599 0.76 . . . . 99.99 109.63 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -166.98 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.854 0.862 . . . . 99.99 109.937 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.58 105.48 1.22 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.693 -0.685 . . . . 99.99 110.955 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.86 178.37 6.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.728 0.811 . . . . 99.99 110.757 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 88' ' ' GLU . . . . . 0.481 ' HG3' ' HG3' ' B' ' 142' ' ' GLN . 0.1 OUTLIER -93.26 179.21 5.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.78 0.832 . . . . 99.99 111.487 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.91 140.06 6.19 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.258 -0.883 . . . . 99.99 112.52 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.18 -50.27 8.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.258 0.623 . . . . 99.99 111.082 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' H ' ' D' ' 11' ' ' PHE . . . 84.75 119.2 0.85 Allowed Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.233 -0.439 . . . . 99.99 112.886 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 92' ' ' GLY . . . . . 0.447 ' H ' ' HB ' ' D' ' 10' ' ' THR . . . 154.6 -179.62 30.58 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 116.902 0.351 . . . . 99.99 113.009 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 93' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' D' ' 55' ' ' VAL . 21.2 m-85 -91.42 106.5 18.54 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.987 0.915 . . . . 99.99 109.705 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 94' ' ' PHE . . . . . 0.568 ' HD2' HG21 ' D' ' 10' ' ' THR . 92.5 m-85 -142.45 160.16 40.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.941 0.897 . . . . 99.99 109.566 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 110.65 12.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 170.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 96' ' ' GLY . . . . . 0.688 ' HA3' ' H ' ' D' ' 88' ' ' GLY . . . -134.29 -24.89 0.61 Allowed Glycine 0 N--CA 1.463 0.465 0 CA-C-N 115.484 -0.78 . . . . 99.99 111.159 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.557 HG23 ' SD ' ' D' ' 94' ' ' MET . 36.8 mt -108.83 -40.12 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 124.23 1.012 . . . . 99.99 109.416 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t70 82.03 0.65 1.44 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 126.505 1.922 . . . . 99.99 112.947 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.36 -61.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.03 0.532 . . . . 99.99 110.725 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' D' ' 56' ' ' TYR . 30.7 tp 67.77 72.45 0.38 Allowed Pre-proline 0 CA--C 1.55 0.949 0 O-C-N 124.995 1.435 . . . . 99.99 110.735 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.34 92.87 0.48 Allowed 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.316 2.01 . . . . 99.99 111.373 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.57 82.9 1.52 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p 39.46 -78.12 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.481 1.912 . . . . 99.99 113.969 174.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.15 42.3 0.12 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.442 -1.063 . . . . 99.99 110.442 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 68.68 135.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.187 1.395 . . . . 99.99 109.947 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 79.41 161.45 0.19 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.534 1.534 . . . . 99.99 109.695 -167.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 10.3 m -66.76 -13.27 61.23 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.41 1.084 . . . . 99.99 112.842 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.1 t60 76.26 -53.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 126.272 1.829 . . . . 99.99 110.267 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -71.43 141.62 50.27 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.463 0.705 . . . . 99.99 110.091 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.26 -6.74 51.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.663 0.785 . . . . 99.99 112.157 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 13.1 tp 75.8 154.06 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.197 1.799 . . . . 99.99 108.962 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.32 96.81 0.11 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.563 0.697 . . . . 99.99 111.6 -171.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.49 -58.44 1.91 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.103 -1.443 . . . . 99.99 107.103 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 67.5 -83.27 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.917 1.687 . . . . 99.99 110.601 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 m -125.95 12.48 7.82 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.03 0.919 . . . . 99.99 109.209 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 55.84 15.94 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.371 -0.831 . . . . 99.99 111.687 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -76.08 138.42 68.79 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.252 0.621 . . . . 99.99 110.435 -174.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.46 62.9 7.81 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.938 2.425 . . . . 99.99 110.598 172.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -95.8 -47.36 6.2 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.237 1.015 . . . . 99.99 110.905 -167.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.86 172.76 11.27 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.615 0.766 . . . . 99.99 110.575 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.627 HG11 HD21 ' D' ' 44' ' ' LEU . 11.7 t 54.75 69.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.945 1.298 . . . . 99.99 110.939 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 89.7 m -142.29 -59.18 0.45 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.201 -0.909 . . . . 99.99 108.914 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.48 125.31 23.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.065 0.946 . . . . 99.99 110.943 -175.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 20.0 m -86.49 128.97 35.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.743 0.817 . . . . 99.99 109.96 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 125' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' D' ' 129' ' ' ALA . . . -100.64 -179.24 4.03 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 99.99 110.118 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 126' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' D' ' 127' ' ' ASN . . . 70.78 130.16 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.406 1.483 . . . . 96.83 111.098 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -66.15 90.75 0.15 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.383 1.073 . . . . 99.99 111.782 -173.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.57 133.13 35.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.363 1.065 . . . . 74.48 109.979 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.536 ' HB ' HH22 ' B' ' 15' ' ' ARG . 6.8 m -143.75 176.76 8.99 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 83.2 172.62 0.09 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.259 1.424 . . . . 99.99 112.043 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -157.59 -79.8 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.791 -1.189 . . . . 99.99 107.791 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 79.3 p -164.75 152.39 11.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.543 0.737 . . . . 99.99 110.748 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -100.23 126.92 46.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.531 -1.285 . . . . 99.99 107.531 164.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.26 175.93 35.19 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.556 0.535 . . . . 89.58 113.739 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.21 -23.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 99.99 110.89 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? 79.1 -62.08 0.32 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.704 1.602 . . . . 99.99 111.657 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 96.5 m -135.12 115.54 13.53 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.436 0.694 . . . . 99.99 110.191 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.02 145.62 53.39 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.225 0.61 . . . . 99.99 110.742 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.73 141.77 19.29 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 107.035 -1.469 . . . . 99.99 107.035 164.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.62 94.87 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.541 0.525 . . . . 99.99 112.399 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.85 -89.76 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.007 1.323 . . . . 99.99 111.329 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.2 75.62 7.79 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 107.48 -1.304 . . . . 99.99 107.48 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -104.67 -146.16 14.94 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.293 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.06 100.59 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -86.14 151.74 23.41 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.256 0.623 . . . . 99.99 109.436 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 146' ' ' ILE . . . . . 0.637 ' H ' HD13 ' E' ' 146' ' ' ILE . 0.2 OUTLIER -107.24 121.35 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.848 0.459 . . . . 99.99 110.1 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -140.6 118.24 11.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 171.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.1 88.95 2.45 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 124.112 0.882 . . . . 99.99 110.112 -168.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.726 ' H ' ' HG2' ' A' ' 150' ' ' GLU . 52.5 tptt -80.31 98.3 7.37 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 172.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.85 106.71 17.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.984 -0.747 . . . . 99.99 108.984 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 50.77 82.74 0.24 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 124.91 1.284 . . . . 99.99 112.855 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.09 173.06 15.11 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 122.217 1.945 . . . . 99.99 111.021 167.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 4.2 m -77.73 88.05 3.99 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.011 -1.107 . . . . 99.99 108.011 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.5 -21.03 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.045 0.938 . . . . 99.99 110.1 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 25.4 tp -74.51 -15.12 60.88 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.76 0.824 . . . . 99.99 111.35 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -88.58 64.05 7.24 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 122.578 1.18 . . . . 99.99 110.103 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 8' ' ' GLU . 23.9 ptt? -160.19 123.74 3.56 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 172.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.19 94.96 0.55 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.438 -0.346 . . . . 99.99 110.344 -176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -22.55 65.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.715 -0.675 . . . . 99.99 109.329 169.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.91 -48.24 82.74 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.87 0.868 . . . . 99.99 110.068 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.14 -161.65 0.16 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.583 1.153 . . . . 99.99 112.489 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -95.38 59.75 1.59 Allowed Glycine 0 C--N 1.342 0.909 0 N-CA-C 111.388 -0.685 . . . . 99.99 111.388 171.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.63 89.88 4.55 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.952 -1.129 . . . . 99.99 107.952 175.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -92.06 107.55 19.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.784 0.834 . . . . 99.99 110.014 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 70.2 p 49.04 92.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.765 1.626 . . . . 99.99 113.925 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -158.87 135.32 4.16 Favored Glycine 0 C--N 1.342 0.894 0 N-CA-C 110.892 -0.883 . . . . 99.99 110.892 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 167' ' ' ASN . . . . . 0.501 HD22 ' HA ' ' E' ' 364' ' ' THR . 3.9 m-20 60.78 27.1 16.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.342 1.057 . . . . 99.99 111.601 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.94 -20.21 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 124.46 1.104 . . . . 99.99 111.913 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 169' ' ' SER . . . . . 0.603 ' HB2' ' HG2' ' E' ' 243' ' ' GLN . 33.3 t -56.27 -60.79 2.99 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.631 0.772 . . . . 99.99 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 170' ' ' THR . . . . . 0.445 HG22 ' H ' ' E' ' 171' ' ' ALA . 6.1 m 61.06 -179.43 0.11 Allowed 'General case' 0 CA--C 1.572 1.812 0 O-C-N 124.645 1.215 . . . . 99.99 109.869 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 171' ' ' ALA . . . . . 0.445 ' H ' HG22 ' E' ' 170' ' ' THR . . . 74.68 -67.69 0.24 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.797 1.239 . . . . 99.99 113.056 170.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -90.66 138.64 31.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 99.99 110.201 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.28 158.67 35.47 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.077 1.14 . . . . 99.99 114.077 -166.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.584 ' HB2' ' HA ' ' E' ' 365' ' ' VAL . 0.5 OUTLIER -92.7 96.63 10.29 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.89 -1.522 . . . . 99.99 106.89 172.145 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -119.69 -38.77 2.93 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.093 0.405 . . . . 99.99 112.093 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.3 165.45 20.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.049 0.389 . . . . 99.99 112.049 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 39.0 m -68.42 107.86 2.34 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 115.039 -0.982 . . . . 99.99 110.422 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -83.22 29.04 0.56 Allowed 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.083 2.522 . . . . 99.99 113.497 -173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.31 25.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.015 0.926 . . . . 99.99 109.763 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -167.56 114.94 0.76 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.083 -1.08 . . . . 99.99 108.083 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 181' ' ' LEU . . . . . 0.418 ' HB2' HG21 ' E' ' 371' ' ' VAL . 4.2 pp -144.64 149.88 36.44 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.3 0.572 . . . . 99.99 110.792 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.09 166.73 28.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 C-N-CA 125.561 1.545 . . . . 99.99 107.626 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.02 -61.36 1.78 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.294 1.038 . . . . 99.99 111.876 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -150.61 -60.52 0.19 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.782 1.233 . . . . 99.99 107.919 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 50.2 t 49.89 74.93 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 125.335 1.454 . . . . 99.99 112.299 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 17.6 m -176.88 -45.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.831 2.052 . . . . 99.99 107.306 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 16.7 t 62.86 -157.72 0.33 Allowed 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.008 1.323 . . . . 99.99 109.27 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 69.91 133.99 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.54 1.136 . . . . 99.99 111.012 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.31 -98.92 0.09 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.963 0.905 . . . . 99.99 109.382 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 63.7 m 47.71 -82.91 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.531 1.532 . . . . 99.99 111.717 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -149.79 -83.02 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.861 -1.903 . . . . 99.99 105.861 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 48.86 -114.81 2.25 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 115.209 0.843 . . . . 99.99 115.209 166.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -83.33 30.72 0.53 Allowed 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.627 2.884 . . . . 99.99 112.969 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 49.4 m -147.07 149.92 34.03 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.04 0.936 . . . . 99.99 109.683 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 195' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' E' ' 199' ' ' LYS . . . -86.18 -83.63 0.18 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 170.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 35.2 m 67.07 137.09 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.667 1.187 . . . . 99.99 112.414 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 30.5 m 78.87 -60.41 0.38 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.114 1.366 . . . . 99.99 112.58 170.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.34 -79.05 0.13 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.621 ' HB3' ' HB1' ' E' ' 195' ' ' ALA . 1.6 tmtp? -75.02 116.61 15.95 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 106.62 -1.622 . . . . 99.99 106.62 172.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.684 ' HB3' ' H ' ' E' ' 204' ' ' ALA . 72.4 m 63.84 80.0 0.25 Allowed Pre-proline 0 CA--C 1.557 1.229 0 O-C-N 124.518 1.137 . . . . 99.99 110.835 -171.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.86 128.25 28.29 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.24 2.627 . . . . 99.99 111.535 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.24 80.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.4 -0.667 . . . . 99.99 113.319 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 79.53 0.14 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.989 1.316 . . . . 99.99 110.573 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 204' ' ' ALA . . . . . 0.684 ' H ' ' HB3' ' E' ' 200' ' ' CYS . . . 74.42 -3.55 2.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.371 1.468 . . . . 99.99 112.112 -172.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.3 tt 61.63 88.23 0.09 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.33 1.452 . . . . 99.99 110.669 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -142.57 15.39 1.99 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.647 -0.706 . . . . 99.99 109.772 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -150.04 -88.51 0.07 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 108.569 -0.9 . . . . 99.99 108.569 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 154.97 155.81 7.47 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 111.595 -0.602 . . . . 99.99 111.595 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 66.06 -101.31 0.59 Allowed Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.085 -0.406 . . . . 99.99 112.085 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -83.84 -42.7 16.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.504 0.722 . . . . 99.99 109.454 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 65.39 -151.31 51.71 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.838 -0.979 . . . . 99.99 111.18 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.6 t 72.12 -25.32 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.04 1.336 . . . . 99.99 114.342 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mp 80.18 -31.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 125.158 1.383 . . . . 99.99 112.675 168.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 42.3 p -73.87 -12.49 60.69 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.063 0.945 . . . . 99.99 112.95 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.11 -32.01 33.38 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 125.625 1.57 . . . . 99.99 113.9 -164.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.3 -10.95 60.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.934 1.087 . . . . 99.99 113.934 -173.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 1.4 pp -41.25 68.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.144 2.177 . . . . 99.99 116.161 -171.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -111.43 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 105.214 -2.143 . . . . 99.99 105.214 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 13.4 t30 171.52 -69.83 0.01 OUTLIER 'General case' 0 C--N 1.364 1.239 0 C-N-CA 124.32 1.048 . . . . 99.99 109.399 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.24 -36.46 24.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.775 0.83 . . . . 99.99 111.976 -172.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -72.51 93.96 1.63 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.091 0.556 . . . . 99.99 110.031 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -164.14 -51.92 0.03 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.164 0.986 . . . . 99.99 108.955 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.95 -153.83 0.33 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.613 1.195 . . . . 99.99 110.651 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' E' ' 402' ' ' ASP . 19.6 m -98.38 140.69 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.378 0.671 . . . . 99.99 109.458 172.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.8 t -64.83 142.19 58.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.175 0.59 . . . . 99.99 111.097 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.97 -50.29 56.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.905 0.882 . . . . 99.99 109.838 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -170.83 -133.17 1.57 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.674 -0.694 . . . . 99.99 111.933 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -127.45 -16.4 2.31 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 119.595 -0.558 . . . . 99.99 113.659 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -65.48 -58.35 9.57 Favored Glycine 0 C--N 1.354 1.548 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.42 -95.36 0.05 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.984 1.314 . . . . 99.99 112.929 167.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.79 -48.49 68.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.644 0.778 . . . . 99.99 111.072 -173.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 6.0 m 54.25 14.53 0.77 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.543 1.537 . . . . 99.99 113.708 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 54.47 23.48 4.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.946 0.899 . . . . 99.99 110.799 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -115.3 7.32 15.15 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.843 1.257 . . . . 99.99 111.205 -171.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.69 -150.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.643 0.777 . . . . 99.99 110.682 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 22.6 m 74.74 8.16 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.422 1.089 . . . . 99.99 111.606 175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.62 -35.34 80.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.9 0.88 . . . . 99.99 110.893 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 41.6 m 78.04 -52.46 0.51 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.86 1.664 . . . . 99.99 113.469 171.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 79.07 -40.62 0.25 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.933 1.693 . . . . 99.99 112.189 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 70.2 21.28 77.1 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 119.7 -0.5 . . . . 99.99 113.359 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 64.74 108.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.476 1.51 . . . . 99.99 111.515 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -144.1 140.02 29.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.106 0.562 . . . . 99.99 109.869 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.603 ' HG2' ' HB2' ' E' ' 169' ' ' SER . 53.8 tp60 71.07 155.95 0.15 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.134 1.374 . . . . 99.99 112.657 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 85.31 -171.74 46.3 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-N 115.459 -0.792 . . . . 99.99 113.328 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 60.66 89.12 0.08 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.754 1.221 . . . . 99.99 110.61 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.8 t -158.73 167.04 30.56 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.563 -167.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 -16.7 61.7 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.514 1.125 . . . . 99.99 111.547 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -58.85 -11.65 3.52 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.681 1.193 . . . . 99.99 112.972 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.79 -17.05 0.09 Allowed 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.439 1.896 . . . . 99.99 115.338 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.91 -18.14 62.67 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.286 0.948 . . . . 99.99 112.334 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -73.78 -15.33 61.2 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.093 0.957 . . . . 99.99 112.924 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -62.99 -19.37 64.27 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.133 0.573 . . . . 99.99 112.09 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -70.19 -4.36 21.23 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.509 0.724 . . . . 99.99 112.817 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -86.87 -31.14 20.93 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.732 0.813 . . . . 99.99 110.069 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 78.79 -74.99 2.07 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 115.837 -0.619 . . . . 99.99 112.47 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.05 142.58 29.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -65.19 -37.09 86.24 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.316 1.046 . . . . 99.99 112.002 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.04 5.57 48.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.785 0.661 . . . . 99.99 112.785 -171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 76.7 t -81.78 117.7 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.2 t 65.58 21.32 11.71 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.66 1.184 . . . . 99.99 111.394 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.54 150.26 34.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.981 0.912 . . . . 99.99 110.237 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -85.46 -28.63 24.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.16 0.984 . . . . 99.99 111.735 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -76.3 -36.36 58.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.144 0.578 . . . . 99.99 110.541 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.8 m -75.68 -52.42 10.54 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.71 0.804 . . . . 99.99 110.073 173.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 tt 61.58 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 99.99 110.314 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 125.852 1.661 . . . . 99.99 113.669 176.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 20.4 t 71.49 178.75 0.25 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.171 1.388 . . . . 99.99 111.259 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.35 132.87 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.177 0.591 . . . . 99.99 110.514 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 7.8 t -93.1 133.66 36.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.076 0.551 . . . . 99.99 110.673 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 2.44 36.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.555 1.142 . . . . 99.99 110.932 174.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -68.65 -20.44 64.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.616 0.766 . . . . 99.99 111.917 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.508 ' HA ' ' HG3' ' C' ' 143' ' ' GLN . 25.6 t-20 -60.79 -32.75 72.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.305 1.042 . . . . 99.99 112.231 -176.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.719 ' HG2' ' HB1' ' C' ' 95' ' ' ALA . 21.4 mp0 -91.68 142.05 28.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.535 0.734 . . . . 99.99 110.091 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -129.66 -40.89 1.37 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.909 0.484 . . . . 99.99 110.193 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -109.61 125.83 30.45 Favored Pre-proline 0 N--CA 1.48 1.045 0 N-CA-C 109.408 -0.59 . . . . 99.99 109.408 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.48 ' HB2' ' SD ' ' C' ' 94' ' ' MET . 98.4 Cg_endo -78.09 -23.37 9.15 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.733 2.289 . . . . 99.99 113.185 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.72 70.23 10.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.882 0.473 . . . . 99.99 110.087 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.72 -165.06 0.21 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.286 1.035 . . . . 99.99 111.618 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 77.66 12.06 84.85 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 120.167 -0.241 . . . . 99.99 113.28 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.456 HD12 ' HG3' ' E' ' 273' ' ' GLN . 3.1 tm? -162.34 128.28 3.49 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.649 -1.611 . . . . 99.99 106.649 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -164.86 -72.19 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.833 -0.803 . . . . 99.99 108.833 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -133.59 96.76 3.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.638 0.775 . . . . 99.99 109.095 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 129.64 54.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.99 0.916 . . . . 99.99 109.785 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 75.9 8.3 84.63 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.864 0.728 . . . . 99.99 113.96 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 57.19 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.182 1.393 . . . . 99.99 111.476 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 61.9 mtt -64.55 131.31 95.06 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.365 0.666 . . . . 99.99 110.986 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.39 88.03 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.373 2.048 . . . . 99.99 111.343 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.29 102.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.952 -1.022 . . . . 99.99 109.099 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -69.04 139.05 54.89 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.195 0.598 . . . . 99.99 110.196 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.616 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 -69.47 133.81 48.17 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.669 0.606 . . . . 99.99 110.443 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -175.78 74.62 0.08 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.7 137.12 17.74 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.702 2.268 . . . . 99.99 113.103 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -112.56 161.34 16.89 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.497 1.119 . . . . 99.99 108.167 171.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -71.44 95.22 1.34 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.544 -0.909 . . . . 99.99 108.544 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.537 HG21 ' HB2' ' C' ' 126' ' ' LEU . 21.3 m -81.32 66.53 6.9 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.035 0.921 . . . . 99.99 111.15 -174.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -178.26 110.95 0.06 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.657 -1.611 . . . . 99.99 107.404 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 298' ' ' HIS . . . . . 0.449 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 49.5 t-80 175.52 123.74 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.165 1.386 . . . . 99.99 107.986 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 160.32 175.93 31.85 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 121.602 -0.332 . . . . 99.99 113.505 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 109.55 13.89 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 171.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.38 -35.41 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.406 1.082 . . . . 99.99 110.798 -171.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -144.65 132.63 21.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.999 0.919 . . . . 99.99 109.654 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' E' ' 5' ' ' THR . 7.6 mtmp? -141.65 125.6 10.07 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 123.863 0.865 . . . . 99.99 109.396 173.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.54 ' HA ' ' HG2' ' D' ' 14' ' ' GLN . 38.0 Cg_endo -62.87 93.88 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.775 2.316 . . . . 99.99 112.202 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . 72.99 153.37 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.297 1.439 . . . . 99.99 112.396 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.414 HG11 HG22 ' E' ' 6' ' ' ILE . 91.0 t -121.87 111.83 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.894 0.878 . . . . 99.99 109.143 173.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 4.2 p -135.41 110.35 8.79 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.968 -0.752 . . . . 99.99 108.968 170.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' E' ' 7' ' ' ALA . 8.7 p 179.04 164.76 0.89 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.013 0.925 . . . . 99.99 112.075 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 4.0 t -168.89 102.83 0.5 Allowed Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 125.173 1.389 . . . . 99.99 109.547 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 310' ' ' PRO . . . . . 0.412 ' HG2' ' HA ' ' B' ' 41' ' ' LYS . 31.7 Cg_exo -64.64 -169.69 0.12 Allowed 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.319 2.68 . . . . 99.99 113.365 169.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -143.37 146.62 36.79 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.032 0.933 . . . . 99.99 108.506 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.42 154.01 73.87 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 122.053 1.835 . . . . 99.99 111.673 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -70.13 -21.85 63.06 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.364 0.666 . . . . 99.99 111.039 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -163.12 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.695 -1.224 . . . . 99.99 107.695 171.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -137.67 -31.05 0.8 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.449 1.1 . . . . 99.99 108.354 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 68.29 22.06 8.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.132 1.373 . . . . 99.99 112.067 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 22.0 t -86.11 137.11 32.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.606 0.763 . . . . 99.99 109.399 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 318' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 26' ' ' PRO . 3.9 m -122.05 150.75 57.11 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 124.591 1.156 . . . . 99.99 110.762 -170.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.9 125.05 16.2 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 123.352 2.701 . . . . 99.99 111.961 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.37 5.88 4.54 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.499 1.519 . . . . 99.99 112.677 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' B' ' 24' ' ' GLU . 77.5 mt 67.9 -69.52 0.14 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.313 1.445 . . . . 99.99 111.751 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 322' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 19' ' ' LYS . . . -85.56 -40.81 15.88 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.846 0.858 . . . . 99.99 111.958 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 323' ' ' GLN . . . . . 0.556 HE22 ' HD3' ' A' ' 19' ' ' LYS . 43.3 mm-40 -99.16 -116.21 0.15 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 122.916 0.486 . . . . 99.99 111.023 -168.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.3 ptp -176.54 -33.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.646 1.178 . . . . 99.99 109.354 -171.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.5 p -100.8 99.73 10.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.45 1.1 . . . . 99.99 108.882 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.48 -28.88 67.42 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.309 0.855 . . . . 99.99 113.309 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -167.69 -174.46 2.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 107.708 -1.219 . . . . 99.99 107.708 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.21 11.42 0.16 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.379 1.072 . . . . 99.99 113.773 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.441 HD12 ' N ' ' E' ' 330' ' ' GLU . 2.4 pp -48.29 -32.25 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 126.057 1.743 . . . . 99.99 115.245 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.441 ' N ' HD12 ' E' ' 329' ' ' ILE . 33.0 tt0 -87.11 -32.07 20.1 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.367 0.531 . . . . 99.99 110.577 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.528 HD12 HG23 ' E' ' 458' ' ' THR . 3.0 tm? -64.13 -35.83 82.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.431 0.692 . . . . 99.99 109.536 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 94.3 mt -87.94 9.32 22.58 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.426 0.898 . . . . 99.99 113.426 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 55.4 p -68.33 -64.79 0.79 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.622 0.369 . . . . 99.99 110.455 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 23.08 0.49 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.275 1.03 . . . . 99.99 109.788 168.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 59.9 t30 71.96 105.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.668 1.587 . . . . 99.99 111.028 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.403 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 11.1 mm-40 -97.34 -37.97 9.83 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.507 0.67 . . . . 99.99 110.195 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' E' ' 336' ' ' GLU . 53.8 mmtt -98.63 -27.72 13.87 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.072 -0.967 . . . . 99.99 112.035 -159.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.43 41.83 3.1 Favored Glycine 0 N--CA 1.475 1.237 0 N-CA-C 114.399 0.52 . . . . 99.99 114.399 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -162.73 17.22 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.447 1.099 . . . . 99.99 109.777 169.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -75.67 159.75 30.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.75 0.82 . . . . 99.99 111.513 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.63 126.97 31.37 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.495 1.118 . . . . 99.99 111.265 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.59 31.1 0.81 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.834 1.254 . . . . 99.99 109.658 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.76 144.9 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 124.344 1.058 . . . . 99.99 111.408 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 344' ' ' GLU . . . . . 0.559 ' HB3' ' HG3' ' A' ' 90' ' ' GLU . 10.3 pt-20 -93.52 147.91 22.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.945 0.898 . . . . 99.99 109.821 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -169.38 59.45 0.19 Allowed Glycine 0 C--N 1.343 0.969 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.36 106.81 3.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.358 0.663 . . . . 99.99 110.366 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 22.0 p -148.82 68.0 1.06 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.525 0.678 . . . . 99.99 109.86 -175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.44 97.91 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.611 -0.885 . . . . 99.99 108.611 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.0 102.47 10.22 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.061 -1.089 . . . . 99.99 108.061 165.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 47.71 48.54 17.26 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.752 1.221 . . . . 99.99 111.783 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -71.45 -5.45 32.99 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.71 0.634 . . . . 99.99 112.71 -169.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -83.53 41.35 0.78 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.833 1.253 . . . . 99.99 110.802 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -54.14 -24.7 18.89 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.734 1.614 . . . . 99.99 114.317 -173.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -72.76 88.41 1.31 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.43 0.692 . . . . 99.99 109.814 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.57 -24.89 0.21 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.677 1.591 . . . . 99.99 113.565 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 59.09 87.15 0.14 Allowed Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.067 1.347 . . . . 99.99 110.629 -167.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.33 -30.21 45.26 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.797 2.331 . . . . 99.99 111.896 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.8 p 49.55 -79.86 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.157 1.783 . . . . 99.99 113.338 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -69.35 -33.54 73.13 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.651 -0.527 . . . . 99.99 112.655 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 77.27 -53.17 0.55 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 126.358 1.863 . . . . 99.99 112.694 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.467 HD12 ' HB ' ' E' ' 364' ' ' THR . 40.0 pt -62.54 -14.97 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.862 1.265 . . . . 99.99 113.833 -169.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 57.36 52.89 48.93 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.306 0.379 . . . . 99.99 112.502 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 363' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' E' ' 365' ' ' VAL . 38.8 mt-10 66.97 14.7 9.94 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.031 1.333 . . . . 99.99 112.095 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 364' ' ' THR . . . . . 0.501 ' HA ' HD22 ' E' ' 167' ' ' ASN . 6.6 t 50.39 34.56 9.3 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 126.603 1.961 . . . . 99.99 113.315 -173.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 365' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' E' ' 174' ' ' GLN . 35.8 m -124.2 145.29 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.395 0.678 . . . . 99.99 112.127 -176.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 366' ' ' ASP . . . . . 0.586 ' HA ' ' HB3' ' E' ' 169' ' ' SER . 1.1 t70 -145.33 -177.28 5.47 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.413 1.085 . . . . 99.99 109.073 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -49.68 -5.16 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 116.864 2.172 . . . . 99.99 116.864 -171.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.479 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 2.3 m-20 -42.97 -42.26 3.69 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.606 1.562 . . . . 99.99 114.061 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.82 -36.25 75.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.888 -0.507 . . . . 99.99 110.623 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.84 -33.03 72.43 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.171 0.588 . . . . 99.99 111.297 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 371' ' ' VAL . . . . . 0.447 HG22 ' O ' ' E' ' 368' ' ' ASP . 1.8 m -88.66 -22.9 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.146 0.578 . . . . 99.99 110.94 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -62.1 -34.7 76.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.354 1.062 . . . . 99.99 111.543 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -22.23 66.69 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.168 0.587 . . . . 99.99 111.508 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -64.26 -22.45 66.95 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.568 0.747 . . . . 99.99 112.547 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.28 -31.88 64.04 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.864 1.266 . . . . 99.99 111.436 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.42 -23.47 66.3 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.281 1.032 . . . . 99.99 112.704 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.07 -18.3 64.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.222 0.609 . . . . 99.99 111.959 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.304 0.642 . . . . 99.99 111.868 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -71.41 3.08 4.08 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 124.086 0.954 . . . . 99.99 111.849 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -58.07 8.43 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.261 -1.014 . . . . 99.99 108.261 162.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 63.75 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.051 1.34 . . . . 99.99 111.67 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -70.85 -86.14 0.15 Allowed Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.711 -0.494 . . . . 99.99 112.772 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.26 -49.39 0.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.169 1.787 . . . . 99.99 113.344 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 35.8 p -65.41 93.11 0.14 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.676 1.19 . . . . 99.99 112.463 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 36.42 55.76 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.22 1.808 . . . . 99.99 113.791 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.4 m -107.0 127.15 62.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.557 -0.747 . . . . 99.99 109.384 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.69 127.78 33.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.636 0.374 . . . . 99.99 110.071 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 10.9 p -72.25 147.15 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.828 0.851 . . . . 99.99 109.198 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 23.6 m -68.96 152.16 45.62 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.896 0.478 . . . . 99.99 110.273 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -50.13 112.78 0.73 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.235 1.014 . . . . 99.99 110.921 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.39 156.52 37.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.283 0.633 . . . . 99.99 110.15 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 83.8 t60 70.01 3.46 4.36 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.38 1.072 . . . . 99.99 112.29 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 393' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' E' ' 396' ' ' SER . . . -64.34 137.2 57.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.138 0.575 . . . . 99.99 110.785 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -56.18 -31.51 63.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.267 1.427 . . . . 99.99 112.659 -171.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -137.08 78.17 1.68 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.141 0.576 . . . . 99.99 110.061 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 396' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' E' ' 393' ' ' ALA . 30.0 t -165.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.668 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.81 -0.18 54.36 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.357 1.063 . . . . 99.99 110.669 -173.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.3 tt -57.38 126.85 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 124.426 1.09 . . . . 99.99 111.637 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.5 m 48.98 -153.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 126.454 1.902 . . . . 99.99 112.521 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 78.66 100.91 0.03 OUTLIER Pre-proline 0 C--N 1.368 1.375 0 C-N-CA 125.541 1.536 . . . . 99.99 109.461 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 130.54 20.78 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.749 2.299 . . . . 99.99 112.772 -173.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 402' ' ' ASP . . . . . 0.426 ' HA ' HG11 ' E' ' 224' ' ' VAL . 27.9 t70 -77.8 97.35 5.19 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.68 0.792 . . . . 99.99 109.419 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 49.4 p -70.68 -72.14 0.22 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -179.55 -82.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.718 1.207 . . . . 99.99 108.121 167.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 175.9 -53.6 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.514 1.526 . . . . 99.99 109.81 176.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.14 128.06 6.26 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 121.557 1.505 . . . . 99.99 111.478 173.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.66 106.78 3.3 Favored Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.741 -0.544 . . . . 99.99 111.741 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.55 -72.54 0.23 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 4.6 m 57.15 23.47 8.62 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.892 1.277 . . . . 99.99 112.346 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.11 131.51 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.088 1.355 . . . . 99.99 110.502 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 80.78 -52.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.808 1.643 . . . . 99.99 112.281 -175.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 2.9 tt 69.53 94.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.42 1.488 . . . . 99.99 109.003 -174.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -121.71 116.88 25.33 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.466 -0.939 . . . . 99.99 108.466 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 15.4 t -82.7 13.63 3.68 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.365 0.666 . . . . 99.99 111.634 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -101.7 36.23 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.63 1.172 . . . . 99.99 108.592 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.47 -8.43 58.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.209 1.404 . . . . 99.99 113.646 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -84.84 39.65 2.96 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 114.495 0.558 . . . . 99.99 114.495 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.28 72.75 0.5 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.587 1.155 . . . . 99.99 111.662 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 419' ' ' VAL . . . . . 0.567 HG23 ' HG3' ' E' ' 420' ' ' MET . 8.2 m -74.24 -33.51 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 115.537 -0.756 . . . . 99.99 111.448 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 420' ' ' MET . . . . . 0.567 ' HG3' HG23 ' E' ' 419' ' ' VAL . 62.1 mtt -97.83 73.73 2.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.627 0.771 . . . . 99.99 109.767 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.576 HG22 ' H ' ' E' ' 422' ' ' MET . 4.6 p -147.46 -165.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 422' ' ' MET . . . . . 0.576 ' H ' HG22 ' E' ' 421' ' ' VAL . 25.4 tpp 74.62 -133.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.719 1.208 . . . . 99.99 109.791 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 22.9 m 62.25 -72.08 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 125.021 1.329 . . . . 99.99 111.145 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -121.66 -53.49 1.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 68.52 -79.65 0.23 Allowed Glycine 0 C--N 1.357 1.714 0 O-C-N 124.108 0.88 . . . . 99.99 113.421 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.1 -55.49 33.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.061 1.345 . . . . 99.99 110.155 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 427' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' E' ' 429' ' ' GLU . 33.0 t 55.22 22.19 4.54 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.649 1.18 . . . . 99.99 112.608 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 51.41 15.36 0.31 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 126.932 2.093 . . . . 99.99 114.375 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 429' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' E' ' 427' ' ' SER . 40.3 mm-40 -60.23 -50.46 73.57 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.94 0.896 . . . . 99.99 110.347 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -59.94 -36.77 77.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.121 -1.4 . . . . 99.99 111.438 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -73.02 -23.67 60.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.716 0.807 . . . . 99.99 111.595 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.68 -26.81 61.75 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.058 0.543 . . . . 99.99 111.822 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -128.01 126.34 41.14 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.505 0.558 . . . . 99.99 112.505 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 178.1 -51.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.84 1.656 . . . . 99.99 107.994 167.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -86.2 97.73 10.52 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.797 0.839 . . . . 99.99 110.196 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -82.71 177.18 53.45 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 112.584 -0.206 . . . . 99.99 112.584 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 64.8 p -79.89 -0.76 36.28 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.193 0.597 . . . . 99.99 110.82 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -67.67 94.61 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 107.657 -1.238 . . . . 99.99 107.657 167.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.456 HD12 ' HG3' ' E' ' 440' ' ' ARG . 1.9 pp -166.94 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.221 1.009 . . . . 99.99 110.174 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.456 ' HG3' HD12 ' E' ' 439' ' ' LEU . 0.1 OUTLIER -90.66 69.36 6.66 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.671 0.788 . . . . 99.99 109.293 173.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 36.4 pt -105.38 3.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.658 0.783 . . . . 99.99 112.268 -172.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.64 84.99 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.774 0.829 . . . . 99.99 112.278 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 58.37 78.35 0.25 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.509 1.124 . . . . 99.99 111.437 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -67.96 101.6 1.14 Allowed 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.515 -0.766 . . . . 99.99 110.339 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.26 -172.09 30.84 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 115.234 -0.894 . . . . 99.99 111.28 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.07 129.58 24.83 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.377 2.051 . . . . 99.99 110.8 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 447' ' ' HIS . . . . . 0.495 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 74.6 m80 -90.91 -45.73 8.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.465 0.706 . . . . 99.99 109.999 -176.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -175.21 -93.17 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.502 1.121 . . . . 99.99 108.406 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.04 147.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.866 1.666 . . . . 99.99 107.74 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 450' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 3' ' ' GLU . 4.3 p-10 -87.41 141.69 28.44 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.063 -0.718 . . . . 99.99 109.063 171.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.624 HG13 HG23 ' E' ' 452' ' ' VAL . 13.4 p -103.38 170.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 114.889 -1.05 . . . . 99.99 109.368 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.624 HG23 HG13 ' E' ' 451' ' ' VAL . 40.8 t 73.68 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.657 1.183 . . . . 99.99 111.529 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -60.92 -49.98 72.58 Favored Glycine 0 C--N 1.355 1.613 0 CA-C-O 119.77 -0.461 . . . . 99.99 112.613 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.427 HD11 ' HE1' ' A' ' 56' ' ' TYR . 79.1 mt 56.94 60.41 3.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.355 1.062 . . . . 99.99 110.818 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 11.7 t -170.33 -174.42 1.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.907 -162.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.59 134.63 38.18 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.237 1.415 . . . . 99.99 109.562 161.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -133.9 153.19 51.92 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.731 0.812 . . . . 99.99 108.917 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.528 HG23 HD12 ' E' ' 331' ' ' LEU . 18.4 p -74.28 116.3 14.78 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.243 0.617 . . . . 99.99 109.81 172.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.58 160.58 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.449 1.1 . . . . 99.99 112.031 172.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.474 ' HG ' ' HB ' ' A' ' 46' ' ' THR . 2.4 tm? -154.02 -50.93 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.998 -0.741 . . . . 99.99 108.998 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -116.42 168.76 9.86 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 99.99 111.384 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.509 ' H ' ' HD1' ' E' ' 462' ' ' TYR . 0.5 OUTLIER -84.42 165.88 17.79 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.125 -1.398 . . . . 99.99 109.853 166.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 28.5 m -68.03 98.29 0.75 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.842 -0.799 . . . . 99.99 108.842 172.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 42' ' ' LEU . 26.1 ttt -65.1 125.15 24.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.765 0.426 . . . . 99.99 110.17 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -82.58 97.23 8.37 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.032 -1.099 . . . . 99.99 108.032 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -75.6 -71.84 0.35 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.854 0.461 . . . . 99.99 110.315 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . 66.28 167.77 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.891 1.277 . . . . 99.99 111.993 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' E' ' 470' ' ' LEU . 2.2 pt? -170.93 178.59 3.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.52 0.728 . . . . 99.99 110.506 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -153.25 69.41 0.3 Allowed Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.611 -0.722 . . . . 99.99 111.371 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 38' ' ' PRO . 79.2 mt -71.62 128.78 36.93 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.05 -0.722 . . . . 99.99 109.05 171.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.805 0.842 . . . . 99.99 109.488 -173.11 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.531 -0.914 . . . . 99.99 108.531 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -68.56 -62.38 1.42 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.333 0.653 . . . . 99.99 111.532 -175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 68.21 -91.76 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.735 1.214 . . . . 99.99 109.924 -168.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.62 ' HG2' ' HG3' ' A' ' 147' ' ' GLU . 3.0 mp0 49.92 -80.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.126 1.37 . . . . 99.99 112.512 -168.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 67.81 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 125.536 1.534 . . . . 99.99 109.2 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -62.82 -39.97 95.94 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.028 0.931 . . . . 99.99 112.711 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 m 53.01 -86.16 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 C-N-CA 124.276 1.03 . . . . 99.99 112.182 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.0 -17.48 3.1 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.292 1.037 . . . . 99.99 110.862 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD11 ' A' ' 89' ' ' ILE . 21.8 ptt? -70.73 147.59 48.87 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.57 0.348 . . . . 99.99 111.674 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 32.4 m -143.16 132.99 23.97 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.728 0.811 . . . . 99.99 110.377 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -123.21 133.77 54.19 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.688 1.195 . . . . 99.99 108.328 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -148.95 128.68 13.27 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.144 0.578 . . . . 99.99 109.734 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 87.02 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 27.8 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 12.57 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 25' ' ' ALA . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 37.56 110.295 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 5.43 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 6.92 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 5.61 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 12.68 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 32.78 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 79.4 m80 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 57.34 115.304 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 48.36 109.714 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 97.85 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 43.33 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 41.53 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 88.8 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 73.87 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.04 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.663 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 54.22 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 29.36 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 19.86 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 13.6 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 17.22 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 14.92 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 21.43 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 23.61 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 57.75 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 93.1 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 30.12 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 22.88 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 30.01 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 14.44 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 9.47 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 20.02 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 66.87 107.949 173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -117.71 110.38 17.78 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' HB ' ' CE1' ' A' ' 56' ' ' TYR . 10.0 tp -99.61 157.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.27 0.628 . . . . 99.99 109.877 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -147.3 145.06 29.23 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.248 1.019 . . . . 99.99 108.295 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.72 8.88 84.81 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 114.08 0.392 . . . . 99.99 114.08 169.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.731 HD11 ' SD ' ' A' ' 9' ' ' MET . 25.3 mm -120.11 139.59 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.124 0.97 . . . . 99.99 110.53 -175.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 174.54 13.98 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.76 -134.69 20.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-O 120.284 -0.176 . . . . 99.99 113.11 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -68.3 -38.22 81.41 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.58 0.752 . . . . 99.99 111.575 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' ILE . 7.1 tp60 -62.53 -37.44 86.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.261 1.024 . . . . 99.99 111.371 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.4 tpt -76.01 -44.38 39.77 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.93 0.492 . . . . 99.99 110.528 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.19 -27.46 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.531 0.733 . . . . 99.99 111.647 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' C ' HD23 ' E' ' 454' ' ' LEU . 50.2 m170 -78.15 -58.91 3.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.623 -0.717 . . . . 99.99 110.635 172.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.535 ' SG ' HG21 ' E' ' 452' ' ' VAL . 42.2 t -39.09 -37.7 0.41 Allowed 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 125.595 1.558 . . . . 99.99 115.187 -161.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 1.7 pp -72.14 -5.37 35.06 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 125.09 1.356 . . . . 99.99 114.599 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' E' ' 454' ' ' LEU . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 95.56 114.32 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.83 ' H ' HD22 ' E' ' 454' ' ' LEU . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 94.48 111.463 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 73.2 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.663 ' HD3' HG11 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 48.9 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 94.19 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 55.88 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.445 HD21 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 21.71 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 15.39 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 9.95 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 20.66 111.093 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 7.34 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.563 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 15.45 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' MET . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 4.41 111.012 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 7.34 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.4 HG21 ' HE2' ' C' ' 109' ' ' TYR . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 7.28 110.809 -177.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 4.96 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 48.88 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 26.6 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 17.97 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' B' ' 113' ' ' CYS . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 8.38 110.357 173.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.453 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 20.1 109.713 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 13.71 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HB2' HG23 ' E' ' 133' ' ' THR . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 20.05 113.404 -175.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 56.76 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.61 ' HB2' HG21 ' E' ' 135' ' ' VAL . 6.0 m-80 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.418 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 62.97 111.611 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 56.46 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.563 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 77.42 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m -115.95 114.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -106.14 78.34 1.3 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' E' ' 462' ' ' TYR . 50.1 m-85 -68.6 -8.48 42.27 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 116.415 -0.357 . . . . 99.99 111.673 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.36 -25.36 66.77 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 111.893 0.331 . . . . 99.99 111.893 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.95 69.64 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.211 0.604 . . . . 99.99 111.513 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.662 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.92 -21.62 20.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.071 0.548 . . . . 99.99 111.839 176.053 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -80.41 -54.22 5.89 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.942 0.337 . . . . 99.99 111.602 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.562 ' SD ' ' HA3' ' E' ' 453' ' ' GLY . 0.7 OUTLIER -65.27 -23.46 67.05 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.289 0.566 . . . . 99.99 110.691 175.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -66.4 -43.46 85.75 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.106 0.962 . . . . 99.99 109.287 172.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -65.88 -29.95 70.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.985 -1.007 . . . . 99.99 111.526 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -50.5 52.49 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.671 0.788 . . . . 99.99 112.135 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -170.31 -17.76 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.621 1.169 . . . . 99.99 111.074 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.12 27.39 9.44 Favored 'General case' 0 CA--C 1.572 1.791 0 C-N-CA 123.838 0.855 . . . . 99.99 110.121 -169.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -85.94 99.5 11.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 99.99 110.143 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -155.49 64.15 0.61 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 4' ' ' GLN . . . -150.76 56.17 0.46 Allowed Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.303 -175.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.62 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 51.7 mt-10 60.66 -170.7 0.15 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.384 1.073 . . . . 99.99 112.716 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.87 -22.48 74.39 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.48 -0.782 . . . . 99.99 111.452 168.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 17.9 m -126.42 112.03 15.15 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.647 0.779 . . . . 99.99 110.045 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -62.42 137.88 58.34 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.595 1.158 . . . . 99.99 109.998 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 72.35 -56.28 0.65 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.619 1.568 . . . . 99.99 111.209 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 74.08 -63.7 0.42 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.907 1.683 . . . . 99.99 110.91 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.33 140.48 16.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.606 0.762 . . . . 99.99 109.091 166.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 80.28 7.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.391 -0.966 . . . . 99.99 108.391 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 CA-C-N 114.791 -1.095 . . . . 99.99 108.729 -178.071 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttp . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.192 -0.299 . . . . 99.99 110.192 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' E' ' 28' ' ' VAL . 62.2 p -134.1 -70.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.138 0.575 . . . . 99.99 110.343 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 60.47 31.32 20.28 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.704 0.802 . . . . 99.99 110.987 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -65.33 127.43 31.73 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.168 0.587 . . . . 99.99 109.977 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m120 61.96 38.17 14.49 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.199 1.0 . . . . 99.99 110.891 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -57.31 -56.62 19.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.075 0.95 . . . . 99.99 109.72 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.604 HG22 ' H ' ' B' ' 8' ' ' GLU . 2.0 m 66.32 -171.88 0.19 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 124.166 0.986 . . . . 99.99 110.4 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.604 ' H ' HG22 ' B' ' 7' ' ' THR . 11.0 mp0 -67.76 96.43 0.57 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.695 -0.854 . . . . 99.99 108.695 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.0 OUTLIER 66.74 163.27 0.18 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.371 1.869 . . . . 99.99 111.07 -169.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.446 ' N ' ' SD ' ' B' ' 9' ' ' MET . 10.0 t -154.85 115.44 3.9 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 -152.06 126.44 9.35 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 121.264 0.554 . . . . 93.55 112.21 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 40.88 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 85.25 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.453 HH21 ' HB ' ' A' ' 122' ' ' THR . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 95.33 111.052 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 13.6 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 23.1 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 6.51 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 19.94 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 5.14 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 19.25 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 9.84 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 18.09 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 49.39 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.934 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.596 HG12 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 98.87 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' E' ' 6' ' ' ILE . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 72.1 112.134 -172.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.465 HD22 ' N ' ' E' ' 8' ' ' LEU . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 96.73 110.109 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' B' ' 45' ' ' ASP . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 67.27 107.357 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.422 ' N ' HD23 ' B' ' 44' ' ' LEU . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 66.97 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 35.64 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.457 ' HB3' ' HG3' ' E' ' 17' ' ' PRO . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 74.75 111.864 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 43.74 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 89.61 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 85.91 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 76.71 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 98.07 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 57.34 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 21.57 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 62.33 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.618 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 95.32 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 14.84 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.68 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 28.15 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 18.14 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 24.35 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 26.44 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 56.64 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 62.67 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 81.37 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 33.32 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 25.99 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 18.76 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 16.93 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 12.76 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 8.91 109.843 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.618 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 33.15 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 11.78 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 39.34 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 63.88 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 82.93 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 98.2 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 71.23 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.494 ' HA2' HD23 ' E' ' 11' ' ' LEU . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 59.87 113.859 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 71.19 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.451 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 50.37 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 36.29 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 87.59 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 37.19 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 13.07 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 10.37 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 12.29 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 8.75 110.972 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.761 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 59.14 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 13.3 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.651 HG21 HG21 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 9.86 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 13.13 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.02 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 26.78 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 13.3 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' SER . . . . . 0.748 ' HB3' HE21 ' C' ' 125' ' ' GLN . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 29.79 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 23.15 112.813 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 23.84 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 29.89 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.576 ' HA ' HG11 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' E' ' 6' ' ' ILE . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 72.13 106.849 165.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 73.04 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.761 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 90.81 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 43.15 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 61.27 111.965 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' E' ' 8' ' ' LEU . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.57 108.686 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' E' ' 1' ' ' MET . 9.0 m120 -77.31 80.35 3.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.92 -46.69 9.17 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.586 0.754 . . . . 99.99 109.826 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 138' ' ' MET . 6.4 p-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.307 1.043 . . . . 99.99 111.551 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.84 42.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.526 0.73 . . . . 99.99 111.883 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.72 -53.02 57.68 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.574 0.702 . . . . 99.99 110.157 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -72.91 -15.65 61.58 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.467 -1.242 . . . . 99.99 111.522 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' E' ' 87' ' ' ALA . 38.1 ttm -64.86 -34.71 79.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.219 0.533 . . . . 99.99 110.918 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ASN . . . . . 0.477 ' HA ' ' OD1' ' E' ' 85' ' ' ASN . 51.8 m-80 -76.27 -16.97 59.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.147 -0.933 . . . . 99.99 111.775 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -88.34 -33.6 17.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.767 . . . . 99.99 110.404 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.37 37.13 0.85 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.113 0.958 . . . . 99.99 111.465 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.402 ' HA ' ' HB2' ' E' ' 85' ' ' ASN . 9.7 pt20 -62.59 -7.2 4.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.863 1.665 . . . . 99.99 113.877 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -72.54 80.84 1.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.984 0.913 . . . . 99.99 108.587 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -65.16 -42.18 93.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.789 -1.096 . . . . 99.99 110.844 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.26 0.82 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.24 -179.96 28.52 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.735 -0.666 . . . . 99.99 111.652 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.82 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.012 1.325 . . . . 99.99 113.202 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 88.83 60.25 1.52 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.851 -0.9 . . . . 99.99 110.851 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 10.7 m 67.65 160.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.387 1.475 . . . . 99.99 111.029 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' B' ' 155' ' ' ALA . 6.5 mp0 -63.58 98.47 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.241 1.016 . . . . 99.99 110.288 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.82 -27.63 5.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.765 1.226 . . . . 99.99 109.672 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -67.31 102.99 1.16 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.963 0.905 . . . . 99.99 110.849 -173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 60.19 37.95 20.4 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.216 0.947 . . . . 99.99 108.863 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.09 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.008 1.323 . . . . 99.99 109.991 -166.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 150' ' ' GLU . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.501 0.721 . . . . 99.99 109.191 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.528 ' HG3' ' H ' ' C' ' 2' ' ' SER . 12.0 ptm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.433 -0.317 . . . . 99.99 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.528 ' H ' ' HG3' ' C' ' 1' ' ' MET . 26.1 t -69.31 126.93 31.3 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.807 0.843 . . . . 99.99 110.242 -171.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 68.98 -70.61 0.13 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.544 1.537 . . . . 99.99 111.424 -174.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -38.37 -61.02 0.73 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.704 2.002 . . . . 99.99 113.818 -177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.69 79.13 3.33 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.6 t30 58.16 25.26 12.3 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.002 0.921 . . . . 99.99 111.961 169.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p 52.35 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.18 1.392 . . . . 99.99 110.405 -157.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' C' ' 9' ' ' MET . 9.6 tt0 61.86 -168.62 0.18 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.086 1.354 . . . . 99.99 113.105 163.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.567 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 3.3 mpp? 50.46 105.46 0.01 OUTLIER 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.265 1.426 . . . . 99.99 109.802 -163.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 11.4 m -101.73 123.69 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -121.59 117.13 25.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 167.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.595 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 56.3 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 93.16 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 11.74 107.72 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.486 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.461 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 6.91 107.695 169.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 21.95 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 5.12 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 9.28 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 8.82 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 12.04 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 30.41 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.505 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 48.75 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.65 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 55.24 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.65 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 88.6 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 68.93 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.503 HG21 HD11 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 87.15 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 94.05 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 71.87 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 62.96 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 35.73 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 56.22 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 43.42 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 94.06 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' C' ' 87' ' ' ALA . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.577 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 81.86 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.631 ' HB2' HD11 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 29.6 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 20.9 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 69.19 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.649 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 14.53 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.42 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.523 HG21 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 17.7 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 29.53 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 32.22 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 59.66 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 97.29 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 76.35 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 37.0 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 34.06 109.248 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 39.96 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.435 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 16.54 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.435 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 9.25 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 25.23 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.538 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 10.6 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.527 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.494 HD12 HD11 ' C' ' 51' ' ' LEU . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 30.38 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' C' ' 10' ' ' THR . 6.1 pt -156.63 124.1 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' C' ' 54' ' ' ASP . . . -164.33 36.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.394 0.516 . . . . 99.99 112.394 163.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.567 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -70.88 -41.92 61.46 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 109.942 -1.263 . . . . 99.99 109.942 161.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.459 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 44.3 mt 67.21 102.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.162 1.785 . . . . 99.99 112.571 169.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.544 ' H ' ' HB2' ' C' ' 94' ' ' MET . 62.8 tt0 -97.95 15.22 24.67 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.475 0.655 . . . . 99.99 109.764 167.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.83 -114.07 6.38 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 115.211 -0.904 . . . . 99.99 112.224 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' E' ' 443' ' ' ALA . 72.2 p -62.05 -26.22 68.13 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 99.99 112.681 -176.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.18 -48.79 13.61 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.954 -0.546 . . . . 99.99 110.502 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.544 ' HB2' ' H ' ' C' ' 90' ' ' GLU . 36.7 ttp -65.18 -20.3 66.38 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.804 0.729 . . . . 99.99 110.822 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' E' ' 280' ' ' LEU . . . -61.3 -22.38 64.81 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.67 1.188 . . . . 99.99 111.819 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.07 -50.91 71.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.972 0.509 . . . . 99.99 110.178 173.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' E' ' 144' ' ' VAL . 90.6 m -59.28 -38.79 81.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.953 0.501 . . . . 99.99 111.251 175.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.558 HD22 HD13 ' E' ' 278' ' ' LEU . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 68.51 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 56.52 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.606 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 56.59 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.43 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 39.21 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 8.71 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.527 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 37.06 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 16.74 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 9.85 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.4 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 5.88 110.959 -176.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 7.64 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.409 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 20.64 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' C' ' 18' ' ' THR . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 13.9 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.649 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 8.58 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 115' ' ' THR . . . . . 0.515 HG21 ' HB2' ' B' ' 119' ' ' SER . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 8.54 111.392 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 6.56 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.46 ' HE2' ' SD ' ' D' ' 117' ' ' MET . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 5.22 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 28.53 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 17.6 111.33 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.474 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 15.17 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' C' ' 124' ' ' PRO . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 24.81 109.566 173.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.528 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 29.42 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.748 HE21 ' HB3' ' B' ' 119' ' ' SER . 11.8 mm100 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.503 HD11 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 59.85 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.409 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 41.85 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 38.57 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 24.62 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 24.48 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 131' ' ' VAL . . . . . 0.448 HG21 HG13 ' E' ' 288' ' ' VAL . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 68.05 108.964 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 133' ' ' PHE . . . . . 0.43 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 -81.78 -19.82 40.45 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.64 -22.8 63.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.656 1.182 . . . . 99.99 112.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -25.85 62.42 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.45 1.1 . . . . 99.99 113.431 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.23 -49.17 73.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.755 0.822 . . . . 99.99 110.882 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -82.26 -32.62 29.56 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.538 -0.755 . . . . 99.99 111.733 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -66.52 -40.2 89.03 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.994 0.918 . . . . 99.99 112.336 -171.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 139' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' E' ' 450' ' ' ASN . 4.2 p30 -70.39 -34.9 73.09 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.951 0.5 . . . . 99.99 112.305 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.29 -87.67 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.187 -0.911 . . . . 99.99 111.03 -173.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 90.9 mt 42.12 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 126.245 1.818 . . . . 99.99 114.727 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -66.58 -17.96 65.11 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 125.245 1.418 . . . . 99.99 112.573 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 74.39 20.44 2.56 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.196 1.398 . . . . 99.99 113.329 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 72.26 -71.51 0.13 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 125.286 1.434 . . . . 99.99 111.605 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.33 16.93 2.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.224 1.009 . . . . 99.99 110.06 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.42 -70.54 2.62 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 115.7 -0.682 . . . . 99.99 111.85 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -151.44 -38.97 0.12 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.088 0.955 . . . . 99.99 110.23 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.69 -46.56 3.15 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.934 -0.575 . . . . 99.99 113.128 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.7 m 65.04 90.47 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.13 1.372 . . . . 99.99 111.225 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 50.19 18.69 0.43 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 126.651 1.98 . . . . 99.99 113.93 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.448 ' HG2' ' H ' ' C' ' 152' ' ' HIS . 25.5 tt0 -92.45 169.61 10.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.406 1.082 . . . . 99.99 109.538 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 152' ' ' HIS . . . . . 0.448 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 53.0 m-70 66.67 -79.59 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.032 1.333 . . . . 99.99 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 69.4 -71.32 0.12 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.471 1.509 . . . . 99.99 112.837 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.6 t70 72.65 -69.93 0.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.71 1.604 . . . . 99.99 111.268 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.514 0.726 . . . . 99.99 110.984 178.038 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 59.74 25.02 13.97 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.24 1.016 . . . . 99.99 112.437 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -134.68 163.42 29.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.697 1.199 . . . . 99.99 108.677 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.81 29.03 6.93 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.923 1.289 . . . . 99.99 108.22 -169.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -178.38 -29.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.857 -1.52 . . . . 99.99 108.641 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 71.09 -72.68 0.11 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.928 1.291 . . . . 99.99 112.543 168.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 61.9 p -59.4 -26.66 65.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.862 0.865 . . . . 99.99 112.767 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 69.37 148.82 0.07 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.118 1.367 . . . . 99.99 110.758 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -34.44 122.89 0.52 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.613 1.165 . . . . 99.99 111.588 166.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t -116.48 119.93 37.15 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 76.43 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.465 ' HB3' ' H ' ' E' ' 305' ' ' ALA . 2.2 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.534 HD13 HG21 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 79.46 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 53.22 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 19.87 109.908 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 8.43 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 36.9 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.409 HD13 ' HE3' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 4.02 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 7.64 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 5.08 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 7.19 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 13.41 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.462 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 12.01 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 20.55 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 22.26 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 34.6 112.206 -169.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 31.63 110.303 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 49.29 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 31.29 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' GLU . . . . . 0.503 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.512 HG22 HD11 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 52.79 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.771 ' HB3' HH21 ' E' ' 314' ' ' ARG . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 74.77 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 66.01 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 77.52 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 38.8 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 48.36 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 52.73 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.71 109.545 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.617 ' H ' HD23 ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 82.32 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 96.95 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 82.8 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.612 HG13 HD11 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 44.56 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 19.48 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 52.2 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.43 ' HA ' ' NH1' ' E' ' 314' ' ' ARG . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 9.25 108.656 166.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.482 ' H ' ' NH2' ' E' ' 314' ' ' ARG . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 10.79 109.422 172.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.453 HG21 HD13 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 9.72 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 19.36 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 11.33 108.874 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 29.87 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 24.97 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 27.84 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 11.35 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 10.67 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 7.73 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 11.05 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.455 ' SG ' HG12 ' D' ' 114' ' ' ILE . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 77' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 5.05 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 21.68 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.29 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 43.57 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 77.58 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.486 ' H ' HD13 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 88.57 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.514 ' HB2' HD13 ' D' ' 89' ' ' ILE . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' E' ' 102' ' ' LEU . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 88.9 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 95.17 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 66.02 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 54.11 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 40.76 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 34.31 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.478 ' HB3' HD13 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 28.69 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.608 ' HA ' ' HB3' ' E' ' 312' ' ' PRO . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 61.29 111.842 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.534 HG21 HD13 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 19.65 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.612 HD11 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 13.09 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 10.47 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 6.22 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 10.48 112.021 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 4.16 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.676 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 10.22 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.39 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.455 HG12 ' SG ' ' D' ' 76' ' ' CYS . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 5.37 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 7.06 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 6.71 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.46 ' SD ' ' HE2' ' C' ' 117' ' ' MET . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 5.08 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.417 HG23 ' O ' ' D' ' 114' ' ' ILE . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 5.65 110.163 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 10.21 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 6.99 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 18.26 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.531 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 20.06 112.881 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 16.85 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 14.84 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 76.73 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 20.32 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 28.37 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.676 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 32.68 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' E' ' 313' ' ' GLN . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 69.78 108.119 173.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.599 ' HB3' ' HG2' ' E' ' 313' ' ' GLN . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.52 -31.46 10.27 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 135' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' D' ' 138' ' ' MET . . . -58.95 -33.69 70.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.229 0.611 . . . . 99.99 111.947 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 tp -71.58 -33.26 68.91 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.526 0.73 . . . . 99.99 110.524 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.439 ' HA ' ' HE2' ' E' ' 109' ' ' TYR . 41.7 m-85 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.762 0.425 . . . . 99.99 110.86 173.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' D' ' 135' ' ' ALA . 41.5 mtt -67.68 -16.61 64.23 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.363 1.065 . . . . 99.99 112.05 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.87 -28.92 69.88 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.561 0.745 . . . . 99.99 111.508 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -75.69 -28.95 58.84 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.186 0.517 . . . . 99.99 110.349 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.08 -27.82 39.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.64 0.776 . . . . 99.99 111.585 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -81.27 45.84 0.88 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.365 0.666 . . . . 99.99 112.503 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.87 93.59 4.5 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 144' ' ' GLN . . . . . 0.531 ' HA ' ' HA3' ' D' ' 148' ' ' GLY . 23.5 pt20 -141.22 12.95 2.2 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.519 -1.673 . . . . 99.99 110.096 -171.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.92 65.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.629 0.771 . . . . 99.99 110.324 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.83 -44.02 90.16 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-N 115.709 -0.678 . . . . 99.99 111.741 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' D' ' 149' ' ' THR . 38.6 tt0 -168.03 -69.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.769 0.828 . . . . 99.99 109.173 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 148' ' ' GLY . . . . . 0.531 ' HA3' ' HA ' ' D' ' 144' ' ' GLN . . . 55.68 51.79 52.6 Favored Glycine 0 C--N 1.357 1.722 0 O-C-N 123.787 0.679 . . . . 99.99 113.934 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 149' ' ' THR . . . . . 0.512 HG23 ' HG2' ' D' ' 147' ' ' GLU . 17.4 p -53.65 112.75 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.347 1.059 . . . . 99.99 112.903 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.36 -72.2 0.05 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.708 1.603 . . . . 99.99 113.634 167.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.41 -40.79 60.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.465 1.506 . . . . 99.99 113.17 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -98.23 18.0 17.32 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.261 0.624 . . . . 99.99 112.083 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 153' ' ' GLN . . . . . 0.427 ' HG2' ' OE1' ' D' ' 144' ' ' GLN . 22.2 mt-30 -107.42 -35.5 6.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.205 1.002 . . . . 99.99 108.859 171.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -164.6 -69.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.452 1.101 . . . . 99.99 108.164 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.02 1.328 . . . . 99.99 108.141 178.128 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' B' ' 132' ' ' ASN . 28.0 ttt . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.768 -0.456 . . . . 99.99 109.768 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -118.37 -37.8 3.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.337 1.055 . . . . 99.99 109.292 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 70.0 3.04 4.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.616 1.566 . . . . 99.99 114.103 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m 60.33 178.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.564 1.146 . . . . 99.99 112.39 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.422 HG22 HG22 ' E' ' 6' ' ' ILE . 11.6 m 68.19 169.45 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.096 0.959 . . . . 99.99 109.564 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' B' ' 126' ' ' LEU . 15.8 tt -47.77 120.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.229 1.011 . . . . 99.99 111.764 176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.592 ' HA ' ' HG ' ' B' ' 128' ' ' LEU . . . -168.38 -90.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.552 -0.749 . . . . 99.99 109.252 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.728 ' HB3' HG21 ' B' ' 131' ' ' VAL . 7.3 tt -173.61 152.35 2.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.422 1.089 . . . . 99.99 108.648 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.74 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.575 0.75 . . . . 99.99 110.841 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -178.37 116.35 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 99.99 108.677 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.597 HD11 ' HD2' ' E' ' 15' ' ' PHE . 21.5 tp -73.34 130.83 83.68 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 123.323 0.649 . . . . 99.99 110.194 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 12' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' E' ' 11' ' ' LEU . 9.8 Cg_exo -73.89 58.01 3.97 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 123.758 2.972 . . . . 99.99 114.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.4 -78.81 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.413 1.485 . . . . 99.99 111.208 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -100.52 -178.74 3.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.972 0.909 . . . . 99.99 109.427 176.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' E' ' 11' ' ' LEU . 0.1 OUTLIER -157.59 164.96 36.74 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.527 0.731 . . . . 99.99 111.34 173.744 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 61.9 m -53.46 -43.65 95.99 Favored Pre-proline 0 N--CA 1.492 1.64 0 CA-C-O 118.221 -0.895 . . . . 99.99 112.829 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.457 ' HG3' ' HB3' ' B' ' 48' ' ' SER . 38.6 Cg_exo -48.88 116.99 2.45 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.74 1.627 . . . . 99.99 111.551 168.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t 74.28 105.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.707 1.203 . . . . 99.99 109.415 -166.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -125.78 137.31 53.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.228 1.011 . . . . 99.99 109.385 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 63.14 34.28 13.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.118 0.967 . . . . 99.99 110.804 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 91.68 0.29 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.455 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' E' ' 23' ' ' THR . 3.8 ptp180 -174.78 -47.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.61 1.564 . . . . 99.99 107.939 174.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 23' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' E' ' 22' ' ' ARG . 10.7 t -82.85 129.29 62.44 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.262 -0.881 . . . . 99.99 111.6 -168.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.77 168.14 16.08 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.755 2.303 . . . . 99.99 110.372 163.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.13 -77.9 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.147 0.579 . . . . 99.99 110.055 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 26' ' ' MET . . . . . 0.514 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 18.8 tmm? 177.07 -54.38 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.457 0 C-N-CA 124.548 1.139 . . . . 99.99 110.231 175.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 3.2 Cg_exo -79.47 131.85 9.72 Favored 'Trans proline' 0 C--N 1.393 2.885 0 C-N-CA 122.433 2.088 . . . . 99.99 111.281 175.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' B' ' 2' ' ' SER . 87.2 t -95.31 -60.07 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.169 0.588 . . . . 99.99 111.601 -173.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -91.46 -60.85 1.78 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.085 -0.384 . . . . 99.99 110.03 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.64 89.73 3.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.428 0.691 . . . . 99.99 109.273 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -59.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.871 0.732 . . . . 99.99 112.394 -169.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 176.9 -88.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.71 0.804 . . . . 99.99 109.46 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 166.16 -175.56 0.02 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 126.153 1.781 . . . . 99.99 107.334 -165.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.96 32.09 21.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.731 0.812 . . . . 99.99 111.407 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -90.95 -1.35 57.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.001 0.92 . . . . 99.99 110.402 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.29 -128.63 9.09 Favored Glycine 0 C--N 1.347 1.154 0 N-CA-C 111.45 -0.66 . . . . 99.99 111.45 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -155.65 114.18 3.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.053 -1.092 . . . . 99.99 108.053 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -93.83 14.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 99.99 111.22 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 78.9 p 51.95 -174.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.578 1.551 . . . . 99.99 113.253 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.36 92.47 4.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 123.388 0.675 . . . . 99.99 109.586 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -83.82 5.01 6.61 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.719 2.279 . . . . 99.99 112.17 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.43 1.12 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 116.235 -0.438 . . . . 99.99 112.042 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.33 13.83 71.01 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.467 -0.366 . . . . 99.99 112.96 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' ALA . . . . . 0.579 ' HA ' HG21 ' E' ' 48' ' ' THR . . . -133.76 120.57 20.71 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.535 0.734 . . . . 99.99 110.684 -170.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -172.66 -48.58 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.21 1.004 . . . . 99.99 110.401 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -95.48 100.34 12.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.413 0.685 . . . . 99.99 110.562 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt 60.0 20.37 9.46 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.869 1.268 . . . . 99.99 112.542 176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 48' ' ' THR . . . . . 0.579 HG21 ' HA ' ' E' ' 44' ' ' ALA . 36.4 p -84.21 82.34 8.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.851 0.861 . . . . 99.99 110.339 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.92 73.39 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 115.492 -0.777 . . . . 99.99 112.001 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -143.34 150.2 38.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.446 1.098 . . . . 99.99 108.835 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -71.48 -62.09 1.54 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.296 0.238 . . . . 99.99 110.687 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -70.67 -9.74 57.77 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.07 0.948 . . . . 99.99 113.159 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.11 -55.78 3.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.638 1.575 . . . . 99.99 114.572 -166.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 164.57 -28.47 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 124.461 1.104 . . . . 99.99 111.406 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 88.9 mt -43.54 -45.56 6.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.568 1.547 . . . . 99.99 114.506 -161.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.65 15.04 2.72 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.6 0.76 . . . . 99.99 110.312 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.32 -30.73 16.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.013 1.325 . . . . 99.99 110.298 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -151.57 -51.41 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.95 -1.023 . . . . 99.99 109.71 -172.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.07 -21.49 63.7 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.301 1.04 . . . . 99.99 112.794 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -136.95 142.4 42.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.252 0.621 . . . . 99.99 110.571 174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 73.14 -63.26 0.44 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.893 1.677 . . . . 99.99 112.131 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -72.59 159.29 85.73 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 124.198 0.999 . . . . 99.99 110.829 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.88 111.18 0.59 Allowed 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 123.108 2.539 . . . . 99.99 112.41 173.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.01 -81.55 0.12 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.245 0.618 . . . . 99.99 112.249 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -163.76 96.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -170.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.48 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.277 1.431 . . . . 99.99 111.556 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 14.4 tt -146.17 -14.8 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 124.257 1.023 . . . . 99.99 111.187 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 67.2 mt 73.92 -63.55 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 126.201 1.8 . . . . 99.99 111.61 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.489 HD21 HD13 ' B' ' 13' ' ' ILE . 1.3 pp -66.62 86.88 0.12 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.283 1.04 . . . . 99.99 111.691 -173.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tt -175.41 -41.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 113.783 -1.553 . . . . 99.99 107.872 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp 56.77 76.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 125.242 1.417 . . . . 99.99 108.582 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.96 30.63 0.19 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 114.635 -1.166 . . . . 99.99 111.979 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 61.53 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.488 1.515 . . . . 99.99 112.524 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.58 79.91 0.29 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 111.878 -0.489 . . . . 99.99 111.878 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 17.8 mmt -154.52 153.63 31.78 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.653 1.181 . . . . 99.99 109.97 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.18 127.68 1.58 Allowed Glycine 0 C--N 1.349 1.251 0 N-CA-C 110.984 -0.846 . . . . 99.99 110.984 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.84 -28.37 66.0 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.888 0.875 . . . . 99.99 112.432 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 78' ' ' SER . . . . . 0.449 ' HB3' ' SG ' ' B' ' 97' ' ' CYS . 22.8 m -53.55 -46.87 70.38 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.745 0.818 . . . . 99.99 111.522 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -89.12 -40.1 13.15 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.493 1.117 . . . . 99.99 110.294 -175.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.2 -62.29 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.459 0.704 . . . . 99.99 110.609 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 54.5 m 70.8 134.13 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 O-C-N 125.003 1.439 . . . . 99.99 111.559 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 74.18 1.47 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.49 0.662 . . . . 99.99 109.776 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.8 13.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.809 -1.087 . . . . 99.99 110.456 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -148.03 -38.03 0.19 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.504 0.721 . . . . 99.99 111.058 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 85' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' B' ' 139' ' ' ASN . 62.7 t30 68.1 176.27 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.328 1.051 . . . . 99.99 110.077 -172.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 69.15 93.04 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.725 1.21 . . . . 99.99 111.011 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 87' ' ' ALA . . . . . 0.608 ' HB2' ' SD ' ' B' ' 138' ' ' MET . . . -144.19 70.41 1.29 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.408 0.683 . . . . 99.99 110.456 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -136.98 135.52 37.72 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.249 1.019 . . . . 99.99 108.445 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.17 157.92 14.96 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.75 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.146 0.978 . . . . 99.99 111.275 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.49 146.07 9.07 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 113.954 0.342 . . . . 99.99 113.954 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.12 -173.09 54.93 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.985 0.462 . . . . 99.99 114.023 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -83.8 92.83 7.84 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.773 0.829 . . . . 99.99 109.648 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -95.95 -176.21 3.63 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.38 1.072 . . . . 99.99 109.466 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -132.34 152.81 51.26 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.377 0.671 . . . . 99.99 110.767 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.3 -15.31 1.87 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.896 1.118 . . . . 99.99 115.896 168.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.52 HD13 HD23 ' E' ' 100' ' ' LEU . 3.2 tt -77.42 -35.8 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 118.099 0.95 . . . . 99.99 111.792 -167.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 48.39 77.82 0.09 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.062 1.345 . . . . 99.99 112.014 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 79.98 140.15 0.07 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.384 1.874 . . . . 99.99 111.921 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.52 HD23 HD13 ' E' ' 97' ' ' ILE . 1.4 pp -139.23 67.35 39.39 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.476 0.71 . . . . 99.99 111.032 175.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.41 10.47 3.56 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.508 2.805 . . . . 99.99 112.822 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.582 ' HA ' ' HB1' ' D' ' 95' ' ' ALA . 76.6 mt 66.62 -83.04 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.401 1.48 . . . . 99.99 111.967 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.7 p -133.69 32.43 3.57 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.608 1.163 . . . . 99.99 108.894 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.84 -71.65 2.14 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 115.261 -0.881 . . . . 99.99 111.51 -176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.2 -176.32 3.5 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.098 0.959 . . . . 99.99 109.245 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -73.38 97.27 2.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.963 0.505 . . . . 99.99 111.957 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m 60.35 -81.03 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.72 1.608 . . . . 99.99 112.758 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 108' ' ' HIS . . . . . 0.442 ' HE1' ' HB3' ' E' ' 242' ' ' TRP . 67.9 m-70 74.25 -40.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.989 1.716 . . . . 99.99 113.457 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.439 ' HE2' ' HA ' ' D' ' 137' ' ' PHE . 8.5 t80 -63.92 128.71 37.03 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.661 -0.866 . . . . 99.99 108.661 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.58 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.549 0.739 . . . . 99.99 112.065 -171.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.4 69.81 10.44 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.675 -1.232 . . . . 99.99 107.675 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -160.72 -75.67 0.06 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.217 1.407 . . . . 99.99 107.656 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 79.6 tttt 64.42 153.75 0.06 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.768 1.627 . . . . 99.99 112.753 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -152.44 -61.54 0.16 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.878 0.871 . . . . 99.99 109.256 166.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.5 m 70.18 141.73 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.916 1.286 . . . . 99.99 110.962 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.45 32.53 4.43 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 122.208 -0.308 . . . . 99.99 112.488 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -145.16 138.45 14.18 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.141 1.376 . . . . 99.99 107.83 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.59 103.52 0.19 Allowed 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.052 2.501 . . . . 99.99 112.202 -175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.67 -175.79 4.62 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.584 0.754 . . . . 99.99 109.094 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.26 122.89 14.3 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.78 0.832 . . . . 99.99 109.91 168.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' E' ' 316' ' ' ASP . 82.1 t 63.44 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.167 0.987 . . . . 99.99 109.89 -174.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -158.17 -28.55 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.201 1.0 . . . . 99.99 111.386 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.62 -89.84 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.867 0.867 . . . . 99.99 112.523 -167.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -168.3 176.07 6.11 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.836 1.254 . . . . 99.99 109.444 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.03 178.15 4.49 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.049 0.94 . . . . 99.99 110.076 171.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.9 166.18 14.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.684 0.794 . . . . 96.83 111.758 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -148.83 -179.7 7.19 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.078 0.951 . . . . 99.99 110.533 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.82 -170.9 2.54 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.679 0.792 . . . . 74.48 110.318 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -131.92 140.31 49.0 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.959 0.504 . . . . 99.99 111.742 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -177.36 152.02 0.82 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.656 1.582 . . . . 99.99 108.873 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -166.21 -172.7 2.34 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 122.83 0.452 . . . . 99.99 109.962 -177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 51.1 p -93.54 171.3 8.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.373 0.669 . . . . 99.99 111.227 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 124' ' ' PRO . 26.0 p -91.4 -69.54 0.73 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.453 0.701 . . . . 99.99 110.555 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 132.86 125.07 2.6 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.243 -0.743 . . . . 89.58 111.243 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.61 HG21 ' HB2' ' A' ' 127' ' ' ASN . 9.0 t -101.05 138.69 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.318 0.647 . . . . 99.99 110.566 -171.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -137.62 -173.02 3.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.664 1.186 . . . . 99.99 110.286 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.445 HG21 ' H ' ' E' ' 465' ' ' LYS . 14.8 m 70.67 77.22 0.19 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.586 1.554 . . . . 99.99 111.422 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 138' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' A' ' 130' ' ' PRO . 75.8 m-85 -135.1 79.1 1.77 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.654 -1.157 . . . . 99.99 109.314 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -138.26 25.56 2.69 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 113.879 -1.51 . . . . 99.99 108.397 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 164.68 57.3 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.118 -0.947 . . . . 99.99 110.97 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -87.62 -175.27 5.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.467 0.707 . . . . 99.99 111.214 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' C' ' 101' ' ' TYR . 59.9 tp -53.67 -41.6 67.02 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.68 1.192 . . . . 99.99 111.939 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.83 138.96 5.58 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.889 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.478 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 4.6 p -157.62 133.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 123.735 0.814 . . . . 99.99 110.108 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.43 115.1 6.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.118 1.367 . . . . 99.99 108.204 176.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 146' ' ' ILE . . . . . 0.46 HD11 ' H ' ' C' ' 88' ' ' GLY . 18.6 tt -157.5 140.82 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 122.869 0.467 . . . . 99.99 110.358 -173.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -138.74 151.56 47.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.635 1.174 . . . . 99.99 108.22 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -67.86 151.19 47.56 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.791 0.805 . . . . 99.99 112.194 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.442 ' HD2' ' HB ' ' C' ' 89' ' ' ILE . 36.7 mttm -137.74 159.93 40.63 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.585 1.554 . . . . 99.99 108.511 171.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.25 107.95 0.37 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.68 -39.55 4.66 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-N 114.434 -1.257 . . . . 99.99 113.48 -165.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -53.43 108.24 0.26 Allowed 'Trans proline' 0 C--N 1.391 2.763 0 C-N-CA 121.735 1.623 . . . . 99.99 112.907 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 9.5 t -150.64 160.24 43.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.454 1.102 . . . . 99.99 109.677 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 47.1 mm -64.47 -28.93 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 99.99 110.488 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -24.12 64.36 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.801 1.241 . . . . 99.99 113.237 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.39 -35.55 80.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.347 0.659 . . . . 99.99 110.65 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.9 mtm -99.1 -53.24 3.31 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.868 0.867 . . . . 99.99 111.051 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 60.37 23.24 12.77 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.978 1.311 . . . . 99.99 112.078 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -1.64 34.84 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.155 0.982 . . . . 99.99 113.024 -173.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.31 74.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.644 0.778 . . . . 99.99 111.371 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -113.92 150.8 33.18 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.532 0.733 . . . . 99.99 109.493 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -161.32 151.87 22.26 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.972 -0.851 . . . . 99.99 110.972 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 163' ' ' LEU . . . . . 0.663 HD23 ' H ' ' E' ' 163' ' ' LEU . 1.6 pt? -77.25 100.27 5.78 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.333 0.587 . . . . 99.99 110.401 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.89 76.54 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.978 0.911 . . . . 99.99 111.122 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 27.4 m 69.38 -74.04 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.642 1.577 . . . . 99.99 111.813 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.45 71.52 1.12 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.181 -0.768 . . . . 99.99 111.181 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -80.82 16.5 1.42 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.775 0.83 . . . . 99.99 112.217 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.66 10.87 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 C-N-CA 124.435 1.094 . . . . 99.99 110.365 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 20.4 m -54.46 -40.25 68.23 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 99.99 113.443 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 170' ' ' THR . . . . . 0.482 ' HB ' ' NE2' ' E' ' 252' ' ' GLN . 12.9 m 61.45 -77.36 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.136 1.374 . . . . 99.99 112.547 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 71.53 -55.81 0.65 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.854 1.662 . . . . 99.99 112.609 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.98 -75.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.676 1.59 . . . . 99.99 111.552 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.7 135.56 34.87 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -63.44 127.83 33.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.95 0.9 . . . . 99.99 111.931 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -112.93 -137.73 0.37 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.86 -175.03 0.2 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 124.63 1.172 . . . . 99.99 111.755 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.7 p -77.71 125.44 85.78 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.064 0.546 . . . . 99.99 109.675 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -80.79 6.34 5.57 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.055 2.503 . . . . 99.99 114.383 -167.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -169.81 -54.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 99.99 110.679 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -83.57 -170.0 2.84 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.578 -0.737 . . . . 99.99 112.114 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 pp -92.59 171.33 9.08 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 123.539 0.735 . . . . 99.99 109.796 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.43 127.2 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.811 0.845 . . . . 99.99 110.99 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 70.4 -82.18 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.61 1.564 . . . . 99.99 111.83 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 59.9 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.549 1.54 . . . . 99.99 113.23 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.81 -41.89 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.821 0.848 . . . . 99.99 110.065 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 33.1 p -90.32 40.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.037 0.935 . . . . 99.99 110.767 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 49.5 p -89.77 168.41 12.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 99.99 111.067 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -80.41 146.71 31.33 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.271 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 69.25 -74.92 0.07 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 124.836 1.254 . . . . 99.99 111.165 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 38.9 t -163.26 -59.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.399 1.079 . . . . 99.99 109.165 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.2 t80 55.68 -85.27 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.632 1.573 . . . . 99.99 112.388 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -73.18 115.38 5.12 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-O 119.016 -0.88 . . . . 99.99 112.537 -172.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.49 126.87 20.22 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.436 2.09 . . . . 99.99 110.816 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.9 m 69.76 110.08 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.676 1.235 . . . . 99.99 110.544 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -80.83 -151.91 0.08 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.787 0.835 . . . . 99.99 110.574 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 49.5 m -52.83 -44.42 66.68 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.721 0.808 . . . . 99.99 110.862 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 40.3 m -83.08 121.2 26.72 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 168.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.02 -36.49 84.57 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.375 1.07 . . . . 99.99 113.499 -168.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.704 ' HB2' HD21 ' E' ' 203' ' ' ASN . 95.0 mttt -114.76 -18.14 11.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.039 0.536 . . . . 99.99 110.167 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.456 ' HB3' ' HD3' ' E' ' 201' ' ' PRO 0.301 49.9 t 102.26 -72.03 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.703 0 C-N-CA 127.366 2.266 . . . . 99.99 113.585 172.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' E' ' 200' ' ' CYS . 2.7 Cg_endo -79.47 84.15 2.1 Favored 'Trans proline' 0 C--N 1.395 3.012 0 CA-C-N 123.214 2.184 . . . . 99.99 112.765 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 80.74 106.3 0.3 Allowed Glycine 0 N--CA 1.472 1.089 0 CA-C-N 116.229 -0.441 . . . . 99.99 113.198 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 203' ' ' ASN . . . . . 0.704 HD21 ' HB2' ' E' ' 199' ' ' LYS . 22.1 m120 -135.17 -74.38 0.46 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.942 0.897 . . . . 99.99 109.693 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.48 -176.68 3.0 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.875 0.87 . . . . 99.99 109.637 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 1.5 tt 75.38 132.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 125.184 1.394 . . . . 99.99 109.183 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 77.16 -16.93 0.6 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 126.055 1.742 . . . . 99.99 112.804 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -159.35 126.5 4.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.848 0.859 . . . . 99.99 109.475 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -170.73 33.54 0.16 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.246 -1.142 . . . . 99.99 110.246 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.62 109.1 2.69 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 114.867 -0.666 . . . . 99.99 111.945 -174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -92.02 1.26 57.31 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.513 1.125 . . . . 99.99 111.452 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -70.09 84.58 0.31 Allowed Glycine 0 C--N 1.353 1.489 0 C-N-CA 123.139 0.399 . . . . 99.99 112.856 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 17.6 t 63.65 106.79 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.98 1.712 . . . . 99.99 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 52.0 mm -122.14 -63.72 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.913 0.885 . . . . 99.99 109.719 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 15.3 t -166.19 24.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 122.076 0.941 . . . . 99.99 111.303 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 215' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' E' ' 221' ' ' ARG . 0.6 OUTLIER -72.26 -9.21 58.17 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.995 1.318 . . . . 99.99 113.348 179.481 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.2 -39.65 2.12 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.671 1.588 . . . . 99.99 113.722 -166.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 6.8 tt -143.54 -50.42 0.32 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.732 -0.469 . . . . 99.99 109.732 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.93 100.36 0.41 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.65 0.78 . . . . 99.99 111.663 -166.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.3 m120 68.73 -0.39 2.36 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.484 1.514 . . . . 99.99 113.674 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 47.69 52.93 11.98 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 123.686 0.795 . . . . 99.99 109.704 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' E' ' 215' ' ' GLU . 81.4 mtt180 76.18 -66.7 0.25 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.989 1.716 . . . . 99.99 111.277 -170.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 58.65 87.72 0.07 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.305 1.042 . . . . 99.99 108.693 -164.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -65.93 96.59 0.31 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.541 -0.754 . . . . 99.99 110.854 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.4 m -110.19 169.68 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.889 0.875 . . . . 99.99 110.183 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.0 t -77.46 158.71 29.84 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.043 0.537 . . . . 99.99 110.28 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 69.1 mt 62.48 99.98 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.721 1.208 . . . . 99.99 111.625 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -144.38 18.1 2.08 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.986 -0.341 . . . . 99.99 113.058 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.17 63.26 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 123.318 0.485 . . . . 99.99 113.601 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 163.86 73.3 0.03 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.124 -0.79 . . . . 99.99 111.124 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -79.14 70.78 5.57 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.813 0.845 . . . . 99.99 111.077 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 55.87 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.75 1.62 . . . . 99.99 112.953 174.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 7.3 m -146.95 41.12 1.09 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.966 0.888 . . . . 99.99 108.655 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 66.88 -77.75 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.714 1.606 . . . . 99.99 112.591 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -145.09 35.01 1.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.84 . . . . 99.99 110.437 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 64.34 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.36 1.464 . . . . 99.99 110.574 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 3.6 t -115.69 -34.08 4.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.798 1.239 . . . . 99.99 110.484 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.76 1.624 . . . . 99.99 114.173 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 22.5 m 60.05 88.24 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.628 1.171 . . . . 99.99 110.827 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -79.49 69.07 5.68 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.637 0.775 . . . . 99.99 111.453 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 63.21 -145.9 50.2 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 119.474 -0.626 . . . . 99.99 112.438 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.46 -77.36 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.611 1.565 . . . . 99.99 110.513 176.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 242' ' ' TRP . . . . . 0.442 ' HB3' ' HE1' ' E' ' 108' ' ' HIS . 11.9 m-90 -59.58 -31.5 69.5 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.166 0.987 . . . . 99.99 110.226 171.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -96.6 116.11 28.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 169.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -71.2 -32.77 65.27 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.04 -0.424 . . . . 99.99 112.04 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 60.23 46.62 10.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.393 1.077 . . . . 99.99 109.662 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.561 HG22 ' HB3' ' E' ' 250' ' ' GLN . 52.1 m 76.95 -26.15 0.19 Allowed 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 125.541 1.536 . . . . 99.99 112.698 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.447 ' HA ' ' OE1' ' E' ' 250' ' ' GLN . 89.4 mt -50.46 -35.39 28.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.91 1.284 . . . . 99.99 113.476 -174.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -77.68 -59.5 2.76 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.271 0.629 . . . . 99.99 112.33 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' E' ' 327' ' ' LYS . 22.2 mp0 -83.98 -14.54 50.55 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.1 0.778 . . . . 99.99 113.1 -167.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.561 ' HB3' HG22 ' E' ' 246' ' ' THR . 17.3 pt20 -50.5 -53.65 28.33 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.867 1.062 . . . . 99.99 113.867 -168.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -90.79 -16.27 28.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.543 -0.753 . . . . 99.99 112.483 -170.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 252' ' ' GLN . . . . . 0.482 ' NE2' ' HB ' ' E' ' 170' ' ' THR . 18.0 pt20 -77.43 -23.53 50.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 117.673 0.215 . . . . 99.99 110.972 -178.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -90.9 -69.81 0.71 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.284 -0.636 . . . . 99.99 109.284 173.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 32.7 49.86 0.18 Allowed 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 126.787 2.035 . . . . 99.99 113.99 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -91.24 61.01 2.95 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.516 -0.765 . . . . 99.99 113.53 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -75.97 164.63 25.98 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.353 0.661 . . . . 99.99 110.851 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -88.92 -44.08 10.7 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.412 0.523 . . . . 99.99 112.412 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 93.1 mt 71.45 -171.98 0.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.424 1.09 . . . . 99.99 110.064 -162.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 21.8 t 61.58 25.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 122.992 1.377 . . . . 99.99 110.14 -175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 11.4 m -88.31 -4.86 58.62 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.369 -1.287 . . . . 99.99 113.237 -167.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -126.34 -71.23 0.7 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.287 0.635 . . . . 99.99 112.092 -164.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.39 85.83 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.07 0.548 . . . . 99.99 112.05 -170.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.02 98.34 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.856 0.722 . . . . 99.99 110.828 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 264' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' E' ' 430' ' ' ASP . 50.2 m -71.64 -34.27 69.63 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.339 -0.846 . . . . 99.99 111.119 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt 69.6 125.31 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.49 1.516 . . . . 99.99 110.378 -166.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -70.11 79.31 0.5 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.111 0.964 . . . . 99.99 110.45 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 23.2 p -175.99 -89.73 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.736 1.215 . . . . 99.99 109.346 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 22.0 t 26.16 -89.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 127.615 2.366 . . . . 99.99 115.004 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 20.7 m -144.45 -29.55 0.48 Allowed 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 119.205 -0.426 . . . . 99.99 111.176 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 73.36 -61.89 0.49 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.09 1.356 . . . . 99.99 109.907 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -72.0 4.74 3.17 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.834 1.254 . . . . 99.99 112.708 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -42.0 -41.93 2.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.137 2.175 . . . . 99.99 114.355 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -56.4 -17.04 6.78 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.857 1.263 . . . . 99.99 113.548 -167.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.49 -43.48 85.26 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.833 0.453 . . . . 99.99 112.099 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.607 ' HB2' ' HA3' ' E' ' 279' ' ' GLY . 0.0 OUTLIER -112.95 150.56 43.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 C-N-CA 122.943 0.497 . . . . 99.99 109.771 179.672 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.72 -79.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.036 1.824 . . . . 99.99 112.083 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.514 ' HB2' ' HB ' ' E' ' 435' ' ' THR . 1.8 pt? -146.37 -37.48 0.24 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.558 HD13 HD22 ' C' ' 98' ' ' LEU . 2.0 tm? -102.07 98.27 8.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 106.354 -1.721 . . . . 99.99 106.354 165.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 279' ' ' GLY . . . . . 0.607 ' HA3' ' HB2' ' E' ' 275' ' ' LYS . . . -148.14 77.86 0.24 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.496 -0.774 . . . . 99.99 112.252 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.504 ' HB2' ' HB1' ' C' ' 95' ' ' ALA . 9.8 tt -53.08 -43.92 67.15 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 164.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -66.31 89.28 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.235 -1.348 . . . . 99.99 110.929 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -172.81 -63.98 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.421 -1.325 . . . . 99.99 107.421 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -107.08 -55.62 2.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.127 -0.942 . . . . 99.99 110.061 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -86.45 136.82 14.44 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.488 -0.618 . . . . 99.99 112.314 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -175.48 138.65 0.41 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.395 1.078 . . . . 99.99 109.333 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -66.08 128.0 93.55 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 123.344 0.658 . . . . 99.99 110.369 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.79 86.37 1.39 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.736 2.291 . . . . 99.99 112.023 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.448 HG13 HG21 ' C' ' 131' ' ' VAL . 97.2 t -78.26 90.04 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 115.389 -0.823 . . . . 99.99 108.815 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -94.17 150.98 19.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.077 0.951 . . . . 99.99 109.848 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 -74.59 157.59 35.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.558 0.743 . . . . 99.99 111.301 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 162.17 176.1 33.9 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.39 136.89 56.58 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.622 2.881 . . . . 99.99 113.247 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' E' ' 294' ' ' LYS . 0.8 OUTLIER -146.42 173.19 12.5 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.243 0.617 . . . . 99.99 109.785 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 295' ' ' ALA . . . . . 0.42 ' H ' ' HG3' ' E' ' 294' ' ' LYS . . . -66.37 90.61 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.683 0.793 . . . . 99.99 110.427 177.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.414 HG23 HD22 ' C' ' 126' ' ' LEU . 5.1 m -116.18 23.03 12.46 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.174 0.99 . . . . 99.99 109.757 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -127.64 135.65 50.53 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.306 1.042 . . . . 99.99 109.301 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -95.08 129.21 42.26 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.905 -1.146 . . . . 99.99 107.905 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -68.99 174.03 34.07 Favored Glycine 0 C--O 1.25 1.146 0 O-C-N 123.616 0.573 . . . . 99.99 113.864 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 18.1 m120 73.45 -74.56 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.414 1.486 . . . . 99.99 111.018 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 55.9 mt 75.09 -45.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 125.736 1.614 . . . . 99.99 113.245 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.38 139.06 40.8 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.646 -0.659 . . . . 99.99 110.709 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' E' ' 303' ' ' LYS . 34.9 mmtt -147.92 75.48 10.86 Favored Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 124.943 1.297 . . . . 99.99 107.931 173.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.82 154.74 38.94 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.646 2.231 . . . . 99.99 111.677 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.465 ' H ' ' HB3' ' D' ' 12' ' ' GLN . . . 67.13 15.59 10.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.345 1.058 . . . . 99.99 113.223 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.11 139.07 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 81.7 p -135.2 163.37 30.1 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 99.99 110.485 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 47.3 t -144.36 144.26 31.35 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 35.9 m -60.6 112.43 5.59 Favored Pre-proline 0 CA--C 1.554 1.134 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.27 99.8 1.16 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.788 2.325 . . . . 99.99 111.806 -173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 311' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' D' ' 130' ' ' PRO . 24.0 m120 -113.14 87.5 10.86 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 123.522 0.729 . . . . 99.99 109.552 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.608 ' HB3' ' HA ' ' D' ' 104' ' ' ASN . 16.4 Cg_endo -93.68 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 124.385 3.39 . . . . 99.99 113.765 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 313' ' ' GLN . . . . . 0.599 ' HG2' ' HB3' ' D' ' 133' ' ' PHE . 2.0 mm-40 67.47 138.59 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 125.269 1.427 . . . . 99.99 112.662 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.771 HH21 ' HB3' ' D' ' 42' ' ' LEU . 0.3 OUTLIER 179.27 75.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.297 1.039 . . . . 99.99 108.726 -171.672 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 315' ' ' ASN . . . . . 0.51 HD22 HG12 ' E' ' 318' ' ' VAL . 24.3 p-10 -166.19 -67.52 0.03 OUTLIER 'General case' 0 C--O 1.244 0.814 0 CA-C-N 116.015 -0.539 . . . . 99.99 109.77 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 316' ' ' ASP . . . . . 0.757 ' HA ' HG13 ' E' ' 121' ' ' VAL . 12.6 t70 51.69 -79.21 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.251 1.02 . . . . 99.99 109.754 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 27.3 t -73.3 108.69 6.32 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.67 1.188 . . . . 99.99 110.288 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 318' ' ' VAL . . . . . 0.51 HG12 HD22 ' E' ' 315' ' ' ASN . 32.8 m -86.19 121.26 72.69 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.168 0.587 . . . . 99.99 110.81 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 319' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' E' ' 322' ' ' ALA . 88.4 Cg_endo -84.76 -1.2 9.49 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.845 2.363 . . . . 99.99 112.292 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 29.9 m 73.81 -65.51 0.35 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.136 1.775 . . . . 99.99 112.092 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.622 HD23 ' SD ' ' E' ' 324' ' ' MET . 3.5 mp -79.93 -68.68 0.65 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.664 0.786 . . . . 99.99 110.1 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 322' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' E' ' 319' ' ' PRO . . . 53.66 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.199 1.4 . . . . 99.99 111.94 -172.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -87.52 -64.16 1.19 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.957 0.503 . . . . 99.99 110.825 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.622 ' SD ' HD23 ' E' ' 321' ' ' LEU . 22.3 ptt? 45.26 21.23 0.06 Allowed 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.045 1.738 . . . . 99.99 114.613 -175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 47.2 p 48.71 -77.13 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.154 1.782 . . . . 99.99 112.519 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.46 156.35 35.13 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.35 1.06 . . . . 99.99 109.397 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' E' ' 249' ' ' GLU . 1.0 OUTLIER -130.63 -9.41 4.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.364 0.666 . . . . 99.99 110.772 179.285 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.72 5.15 14.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.752 0.821 . . . . 99.99 112.124 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.84 -31.94 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.772 1.229 . . . . 99.99 111.578 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.06 72.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.968 0.907 . . . . 99.99 112.736 -177.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.09 -39.47 90.05 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.007 -0.738 . . . . 99.99 109.007 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.52 173.37 12.04 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.436 171.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.6 m 65.47 18.99 11.48 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.671 0.789 . . . . 99.99 111.692 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 56.5 32.84 21.52 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.686 1.594 . . . . 99.99 112.426 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.47 88.92 0.09 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.112 0.965 . . . . 99.99 110.915 -175.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.71 153.53 30.82 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.477 0.311 . . . . 99.99 110.539 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' E' ' 416' ' ' ASP . 17.4 tppt? -165.91 152.95 9.94 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.921 0.488 . . . . 99.99 110.671 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.35 14.83 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.802 -0.636 . . . . 99.99 111.538 171.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.74 -44.63 13.17 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.017 -0.735 . . . . 99.99 109.017 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 53.78 -100.11 0.1 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 125.954 1.701 . . . . 99.99 113.281 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.38 -8.33 23.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.556 0.742 . . . . 99.99 111.253 -172.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.06 146.74 50.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.567 0.747 . . . . 99.99 110.498 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.99 141.29 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.884 0.874 . . . . 99.99 109.545 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 344' ' ' GLU . . . . . 0.48 ' HG3' ' H ' ' E' ' 407' ' ' GLY . 1.5 pm0 -76.87 133.91 39.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.977 0.511 . . . . 99.99 109.719 176.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.21 -59.46 0.04 OUTLIER Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.247 -1.141 . . . . 99.99 110.247 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -75.43 -21.61 58.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.225 0.61 . . . . 99.99 109.693 169.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.3 t -65.42 88.92 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.951 0.9 . . . . 99.99 108.579 168.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.83 154.39 7.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.964 0.906 . . . . 99.99 109.763 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.72 129.2 55.36 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.54 144.12 49.7 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.815 0.697 . . . . 99.99 110.624 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -141.93 -25.55 0.67 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.254 1.021 . . . . 99.99 110.43 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 65.02 -176.05 0.17 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.124 1.37 . . . . 99.99 111.562 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -79.83 -38.59 32.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.797 0.439 . . . . 99.99 110.011 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 69.43 134.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.498 1.519 . . . . 99.99 111.945 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.68 100.15 1.81 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.739 -0.664 . . . . 99.99 109.661 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 63.28 83.5 0.2 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 124.305 1.042 . . . . 99.99 109.967 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.43 -64.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.883 2.389 . . . . 99.99 112.448 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 4.4 p -172.12 130.95 0.62 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.18 0.592 . . . . 99.99 110.606 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.2 1.64 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 110.598 -1.001 . . . . 99.99 110.598 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.5 -54.82 12.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.641 1.176 . . . . 99.99 111.128 -172.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 12.7 tt -135.99 114.92 15.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 126.33 -176.54 17.51 Favored Glycine 0 C--O 1.242 0.626 0 N-CA-C 110.823 -0.911 . . . . 99.99 110.823 -169.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 63.29 114.28 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.696 1.198 . . . . 99.99 110.858 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 23.9 m 68.98 -60.7 0.44 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 125.357 1.463 . . . . 99.99 111.457 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.46 107.3 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 123.698 0.799 . . . . 99.99 109.553 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -126.52 174.64 8.5 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.421 1.088 . . . . 99.99 109.997 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.39 -46.61 89.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 99.99 111.08 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.69 -35.15 79.44 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.24 0.616 . . . . 99.99 110.147 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.86 -34.9 70.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.935 0.894 . . . . 99.99 111.826 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.31 -14.89 58.76 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 113.542 0.942 . . . . 99.99 113.542 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.68 -23.75 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 C-N-CA 123.835 0.854 . . . . 99.99 112.542 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -58.26 -21.16 47.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.087 1.355 . . . . 99.99 113.393 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' E' ' 374' ' ' ALA . 0.0 OUTLIER -60.12 -26.54 66.32 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.741 0.416 . . . . 99.99 111.783 175.729 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 374' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' E' ' 373' ' ' ARG . . . -86.47 -27.14 24.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 99.99 111.377 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 35.5 tp -86.83 -15.79 38.11 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.936 0.895 . . . . 99.99 112.627 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -18.99 5.44 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.822 1.415 . . . . 99.99 114.822 -175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -53.98 -41.92 68.41 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.973 0.509 . . . . 99.99 111.11 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.98 67.87 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.266 1.026 . . . . 99.99 110.756 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.13 -14.69 57.44 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.066 -0.97 . . . . 99.99 111.403 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.44 -66.56 0.3 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.95 1.7 . . . . 99.99 110.801 -175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -120.48 -35.72 3.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.458 1.103 . . . . 99.99 109.373 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.45 -76.57 2.2 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.465 -0.789 . . . . 99.99 112.652 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 383' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' E' ' 386' ' ' VAL . 92.4 m-20 -89.75 70.33 7.7 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.02 0.914 . . . . 99.99 109.817 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 49.3 p -79.22 96.47 5.92 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.28 -1.327 . . . . 99.99 110.069 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.62 12.69 8.77 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.833 1.253 . . . . 99.99 109.744 -172.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 386' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' E' ' 383' ' ' ASN . 60.4 t -101.85 108.31 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.775 0.83 . . . . 99.99 109.087 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.36 119.55 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 107.745 -1.205 . . . . 99.99 107.745 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.09 115.08 3.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 108.006 -1.109 . . . . 99.99 108.006 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 30.9 m -69.7 106.51 3.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.363 0.665 . . . . 99.99 110.893 -168.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -160.15 86.86 0.77 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.75 120.68 43.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.643 0.777 . . . . 99.99 110.302 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 67.77 111.73 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.685 1.194 . . . . 99.99 111.021 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -68.4 -174.79 0.56 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.762 0.825 . . . . 99.99 109.536 167.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -61.98 -43.37 98.98 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 109.392 -0.596 . . . . 99.99 109.392 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 60.83 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.038 1.735 . . . . 99.99 114.87 160.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 17.8 m -51.09 -65.94 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.238 1.415 . . . . 99.99 113.196 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 50.2 84.92 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.432 1.093 . . . . 99.99 111.265 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.08 -55.72 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 108.354 -0.98 . . . . 99.99 108.354 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.01 137.1 58.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.58 -1.191 . . . . 99.99 107.91 168.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -115.86 80.74 9.01 Favored Pre-proline 0 N--CA 1.477 0.911 0 N-CA-C 109.003 -0.739 . . . . 99.99 109.003 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.26 154.08 28.29 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.222 1.948 . . . . 99.99 112.492 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.76 125.55 27.14 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.792 0.837 . . . . 99.99 108.764 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.7 t 49.11 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.11 1.764 . . . . 99.99 112.701 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' E' ' 404' ' ' LYS . 0.0 OUTLIER -79.47 169.74 17.6 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 121.435 -0.79 . . . . 99.99 111.143 174.575 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -159.29 108.01 1.53 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 109.098 -0.704 . . . . 99.99 109.098 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.35 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.98 2.453 . . . . 99.99 112.973 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 407' ' ' GLY . . . . . 0.48 ' H ' ' HG3' ' E' ' 344' ' ' GLU . . . 89.35 -58.77 3.83 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.063 -0.517 . . . . 99.99 112.087 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 81.5 mt 53.07 50.3 18.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.32 1.048 . . . . 99.99 110.482 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 58.3 m -61.7 99.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.047 -0.979 . . . . 99.99 110.58 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 76.82 -62.68 0.4 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.261 1.824 . . . . 99.99 110.874 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -162.83 -67.79 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.484 0.713 . . . . 99.99 110.592 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.47 ' HG ' ' H ' ' E' ' 414' ' ' THR . 2.5 pt? -137.53 -176.74 4.51 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.32 0.648 . . . . 99.99 110.366 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.25 -34.36 60.59 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.484 1.113 . . . . 99.99 112.518 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 414' ' ' THR . . . . . 0.47 ' H ' ' HG ' ' E' ' 412' ' ' LEU . 32.3 m -66.55 -73.18 0.14 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.183 0.593 . . . . 99.99 110.229 176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 173.85 -73.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.93 1.292 . . . . 99.99 107.97 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 416' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' E' ' 337' ' ' LYS . 10.8 p-10 -111.36 -39.9 4.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.002 1.321 . . . . 99.99 110.319 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 141.73 -54.5 0.62 Allowed Glycine 0 C--N 1.346 1.094 0 N-CA-C 110.986 -0.846 . . . . 99.99 110.986 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.43 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.904 1.282 . . . . 99.99 109.88 -172.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 4.6 p 48.19 21.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 C-N-CA 126.702 2.001 . . . . 99.99 114.726 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -85.22 138.55 32.27 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.439 -0.578 . . . . 99.99 109.439 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 2.8 p -161.82 -60.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.647 0.779 . . . . 99.99 109.171 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 1.5 tpt -144.74 18.82 1.65 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.62 0.724 . . . . 99.99 109.5 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.7 m -82.43 33.44 0.41 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.65 1.18 . . . . 99.99 111.791 -172.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.2 86.8 2.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.616 1.166 . . . . 99.99 110.013 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -67.11 96.38 0.32 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -74.04 -69.69 0.43 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.004 0.521 . . . . 99.99 110.627 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 15.3 m -153.43 -20.81 0.14 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.585 0.754 . . . . 99.99 110.962 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 57.03 42.43 26.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.17 1.388 . . . . 99.99 108.919 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.11 3.5 34.53 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.349 -1.296 . . . . 99.99 113.894 -161.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 430' ' ' ASP . . . . . 0.59 ' HB3' ' HA ' ' E' ' 264' ' ' SER . 7.6 p-10 -72.73 -18.99 61.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.85 0.46 . . . . 99.99 111.674 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.2 p -57.68 -55.12 38.94 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.053 0.941 . . . . 99.99 112.004 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.83 -0.52 57.74 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.212 0.605 . . . . 99.99 111.446 170.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' E' ' 434' ' ' HIS 0.25 6.0 pt-20 41.34 -82.67 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.461 2.304 . . . . 99.99 113.952 -173.284 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 434' ' ' HIS . . . . . 0.644 ' H ' ' HG3' ' E' ' 433' ' ' GLU . 31.4 p-80 173.25 35.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.747 1.619 . . . . 99.99 107.835 -171.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 5.8 m -62.52 -25.1 67.85 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.192 0.997 . . . . 99.99 112.212 -171.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -76.11 -4.04 77.21 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-O 119.475 -0.625 . . . . 99.99 113.935 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 31.6 t 52.89 53.17 12.51 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.463 1.505 . . . . 99.99 112.274 174.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 75.69 -35.8 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.833 1.653 . . . . 99.99 113.131 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.5 mp 61.59 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.042 1.337 . . . . 99.99 111.232 -170.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 70.44 -55.93 0.61 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.115 1.766 . . . . 99.99 112.559 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.49 -29.8 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 123.197 0.599 . . . . 99.99 109.678 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 77.22 -64.08 0.33 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.044 1.738 . . . . 99.99 111.731 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 443' ' ' ALA . . . . . 0.52 ' HA ' ' HB ' ' C' ' 92' ' ' THR . . . -155.84 130.19 8.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.851 0.461 . . . . 99.99 111.775 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 444' ' ' TYR . . . . . 0.434 ' H ' ' HB ' ' C' ' 92' ' ' THR . 97.2 m-85 -82.19 93.11 7.01 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 170.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -117.16 159.61 13.93 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.633 -0.537 . . . . 99.99 113.129 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.04 150.96 20.86 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.416 2.744 . . . . 99.99 112.631 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -89.52 -11.11 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.583 0.753 . . . . 99.99 110.97 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.17 30.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.566 0.746 . . . . 99.99 110.665 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -110.3 130.79 55.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.512 0.725 . . . . 99.99 110.339 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 450' ' ' ASN . . . . . 0.77 ' HB2' ' HB3' ' C' ' 139' ' ' ASN . 15.4 t-20 -82.93 135.8 34.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.764 -0.458 . . . . 99.99 109.764 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.475 HG12 HG12 ' E' ' 452' ' ' VAL . 55.4 t -98.99 -74.3 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.534 0.734 . . . . 99.99 109.029 173.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.535 HG21 ' SG ' ' A' ' 97' ' ' CYS . 14.8 p -156.45 146.2 11.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.452 0.701 . . . . 99.99 109.13 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.562 ' HA3' ' SD ' ' A' ' 138' ' ' MET . . . -161.06 131.0 2.48 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.065 -1.214 . . . . 99.99 110.065 176.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 101' ' ' TYR . 38.1 tp -163.6 138.34 6.13 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 117.284 0.542 . . . . 99.99 110.961 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 69.3 m -148.92 138.48 21.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.273 1.429 . . . . 99.99 108.249 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -142.82 132.23 23.54 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.34 -0.615 . . . . 99.99 109.34 171.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -148.0 8.11 0.84 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.713 1.205 . . . . 99.99 109.008 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 7.8 m -131.23 23.71 4.85 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.682 0.793 . . . . 99.99 110.205 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 70.84 -71.08 0.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.728 1.611 . . . . 99.99 111.603 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' E' ' 462' ' ' TYR . 34.5 tp -154.25 109.59 3.15 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.298 -0.63 . . . . 99.99 109.298 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -91.34 6.74 44.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.225 1.01 . . . . 99.99 110.901 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.555 ' HB2' HD11 ' E' ' 460' ' ' LEU . 2.7 m-30 -87.55 90.2 8.28 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 24.3 m -128.14 111.63 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.486 -0.931 . . . . 99.99 108.486 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -89.2 -172.4 3.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.391 0.676 . . . . 99.99 110.206 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 465' ' ' LYS . . . . . 0.445 ' H ' HG21 ' E' ' 137' ' ' THR . 82.9 tttt -80.97 -179.89 7.55 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.792 0.837 . . . . 99.99 109.317 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 466' ' ' ALA . . . . . 0.412 ' H ' ' HG2' ' E' ' 465' ' ' LYS . . . -42.85 135.9 2.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.108 1.363 . . . . 99.99 113.115 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -68.57 172.94 5.53 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.996 0.918 . . . . 99.99 112.201 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 2.2 tt -73.26 91.08 1.66 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.769 -1.105 . . . . 99.99 109.35 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -93.18 114.01 4.59 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 110.847 -0.901 . . . . 99.99 110.847 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.487 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 75.5 mt -89.92 100.82 13.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.273 0.629 . . . . 99.99 109.495 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.166 0.986 . . . . 99.99 110.287 -177.243 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.884 -0.413 . . . . 99.99 109.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -64.38 -55.73 19.1 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.022 0.529 . . . . 99.99 110.635 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 54.5 -79.88 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.924 1.69 . . . . 99.99 112.615 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 7.5 tp-100 81.28 -27.08 0.14 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.563 1.945 . . . . 99.99 112.2 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 62.86 -84.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.577 1.551 . . . . 99.99 112.132 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.31 -20.55 13.72 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.871 0.868 . . . . 99.99 110.351 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 95.0 m 73.71 -63.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.215 1.406 . . . . 99.99 111.201 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.52 129.59 40.35 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.705 -1.22 . . . . 99.99 107.705 171.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.8 ptp -130.13 135.0 47.72 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.203 0.601 . . . . 99.99 111.118 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 147.0 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.892 1.277 . . . . 99.99 110.262 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -111.42 124.74 52.87 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.36 1.064 . . . . 99.99 108.461 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -142.55 134.5 27.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.974 0.51 . . . . 99.99 110.47 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 87.02 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 27.8 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 12.57 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 37.56 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 5.43 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 6.92 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 5.61 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 12.68 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 32.78 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 12.4 m80 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.757 HG13 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.691 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.525 ' HG3' ' HA ' ' E' ' 471' ' ' LYS . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 67' ' ' SER . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 57.34 113.209 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG11 ' HG ' ' E' ' 468' ' ' LEU . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 48.36 109.804 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 97.85 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.488 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 43.33 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 41.53 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 88.8 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 73.87 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.04 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.767 HG11 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 54.22 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 29.36 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 19.86 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 13.6 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 17.22 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 114' ' ' ILE . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 14.92 108.473 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 21.43 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 23.61 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 57.75 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 93.1 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 30.12 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 22.88 110.074 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 30.01 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 14.44 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 9.47 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 20.02 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 66.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -82.06 116.31 21.59 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 HG22 ' E' ' 452' ' ' VAL . 9.4 tp -106.58 164.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.97 0.908 . . . . 99.99 108.749 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.76 140.96 22.21 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.716 -0.476 . . . . 99.99 109.716 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.9 -34.06 4.22 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 123.749 0.655 . . . . 99.99 114.655 169.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 HG21 ' E' ' 452' ' ' VAL . 4.0 mp -124.9 139.74 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.652 0.781 . . . . 99.99 109.354 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' HG2' ' H ' ' A' ' 91' ' ' GLY . 27.1 tt0 -147.41 174.8 11.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.777 0.831 . . . . 99.99 109.606 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' H ' ' HG2' ' A' ' 90' ' ' GLU . . . 73.62 -148.74 40.71 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 123.79 0.71 . . . . 99.99 114.606 169.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 t -60.32 -27.65 67.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.161 0.985 . . . . 99.99 111.953 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -66.82 -41.24 87.81 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.975 0.91 . . . . 99.99 110.54 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 34.3 tpp -83.7 -23.94 31.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.687 0.795 . . . . 99.99 111.119 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.45 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 114.129 1.159 . . . . 99.99 114.129 -170.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 137' ' ' PHE . 44.3 p-80 -62.38 -31.21 71.85 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 117.672 0.215 . . . . 99.99 110.571 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 13.9 t -67.68 -42.52 81.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.725 0.81 . . . . 99.99 111.175 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp -68.41 -12.85 61.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.886 -1.052 . . . . 99.99 111.169 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 95.56 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' E' ' 454' ' ' LEU . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 94.48 112.932 -169.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 73.2 112.979 -176.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.767 ' HD3' HG11 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 48.9 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 94.19 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 55.88 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 21.71 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.596 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 15.39 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 9.95 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 20.66 111.077 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 7.34 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 15.45 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.517 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 4.41 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 HG21 ' A' ' 64' ' ' VAL . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 7.34 112.263 -173.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 7.28 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 4.96 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 48.88 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 26.6 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 17.97 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 8.38 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 20.1 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 13.71 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.458 ' HG3' ' HB1' ' E' ' 130' ' ' ALA . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 20.05 111.925 170.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.523 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 56.76 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 62.97 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' E' ' 135' ' ' VAL . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 56.46 112.34 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 77.42 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 44' ' ' LEU . 42.1 t -98.27 109.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.476 HD21 HG21 ' E' ' 458' ' ' THR . 6.0 t30 -91.65 92.08 8.29 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.386 -1.279 . . . . 99.99 108.714 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' E' ' 461' ' ' PHE . 93.1 m-85 -68.78 -9.44 50.92 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 117.799 -1.096 . . . . 99.99 113.952 -173.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' E' ' 456' ' ' ASP . 74.6 m-20 -48.93 -38.35 22.58 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.557 0.743 . . . . 99.99 112.297 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.51 -18.59 62.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.748 0.819 . . . . 99.99 113.164 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.479 ' HB2' ' CZ ' ' E' ' 461' ' ' PHE . 12.8 tp -64.38 -20.04 65.88 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.635 0.774 . . . . 99.99 110.536 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 4.3 p90 -51.29 -41.78 60.69 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.645 0.979 . . . . 99.99 113.645 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.8 mmt -69.92 -49.27 53.6 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.407 0.622 . . . . 99.99 110.024 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.37 -24.72 67.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 113.633 -1.621 . . . . 99.99 111.707 -175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -85.75 -43.12 13.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.723 1.209 . . . . 99.99 109.609 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.07 -46.52 88.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.092 0.957 . . . . 99.99 111.045 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 143' ' ' GLN . 1.0 OUTLIER -169.73 -16.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.983 0.513 . . . . 99.99 112.032 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 59.69 97.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.557 1.143 . . . . 99.99 109.631 -169.344 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -146.2 105.53 3.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.82 141.24 4.01 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.958 0.903 . . . . 99.99 109.003 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.08 116.81 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 149' ' ' THR . 44.7 mt-10 67.97 139.67 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.085 1.354 . . . . 99.99 112.165 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -91.67 49.75 2.87 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.038 -0.528 . . . . 99.99 111.797 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 147' ' ' GLU . 9.8 t -149.54 154.02 38.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.051 0.94 . . . . 99.99 109.967 -176.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.68 136.97 45.57 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.864 0.866 . . . . 99.99 108.989 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 73.68 -35.65 0.32 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.442 1.497 . . . . 99.99 114.012 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.5 t60 63.88 -77.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.228 1.411 . . . . 99.99 109.529 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -176.48 129.38 0.2 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.668 1.187 . . . . 99.99 109.407 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.33 67.46 9.94 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.715 -1.129 . . . . 99.99 108.406 -177.151 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.227 -0.656 . . . . 99.99 109.227 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p 69.66 -55.44 0.58 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.006 2.122 . . . . 99.99 112.388 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 66.75 35.13 5.24 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.134 1.374 . . . . 99.99 111.358 175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.25 154.6 41.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.341 -0.845 . . . . 99.99 108.888 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.652 ' HA ' HG21 ' E' ' 39' ' ' THR . 3.6 m-20 63.14 53.43 2.28 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 122.018 0.914 . . . . 99.99 109.384 -169.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -91.97 -90.47 0.17 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.186 -1.37 . . . . 99.99 109.585 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -171.75 -59.18 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.063 0.945 . . . . 99.99 109.375 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 178.92 75.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.542 -1.281 . . . . 99.99 107.542 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.6 ' HG2' ' H ' ' B' ' 10' ' ' THR . 9.6 ttt 65.0 172.02 0.2 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.279 1.432 . . . . 99.99 110.674 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.6 ' H ' ' HG2' ' B' ' 9' ' ' MET . 89.6 m -129.87 120.09 24.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.172 -1.418 . . . . 99.99 107.172 168.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -126.92 126.98 44.16 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 93.55 107.322 172.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 40.88 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 85.25 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 95.33 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 13.6 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 23.1 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 6.51 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 19.94 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 5.14 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 19.25 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 9.84 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.581 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 18.09 106.857 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 49.39 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.578 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 98.87 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 72.1 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.446 HD11 ' H ' ' E' ' 7' ' ' ALA . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 96.73 109.562 172.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 67.27 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 66.97 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 35.64 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 74.75 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 43.74 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 89.61 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 85.91 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 76.71 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.547 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 98.07 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.54 ' HB2' HD11 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 57.34 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 21.57 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 62.33 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 95.32 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 14.84 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 28.15 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.567 HG21 HG21 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 18.14 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 24.35 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 26.44 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 56.64 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.588 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 62.67 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 81.37 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 33.32 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 25.99 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 18.76 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 16.93 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 12.76 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 8.91 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 33.15 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 11.78 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 39.34 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 63.88 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 82.93 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 98.2 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.547 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.613 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.489 ' HB ' ' HE ' ' E' ' 314' ' ' ARG . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' E' ' 21' ' ' ALA . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' E' ' 15' ' ' PHE . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 71.23 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLY . . . . . 0.426 ' O ' HD21 ' E' ' 11' ' ' LEU . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 59.87 114.238 -174.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 71.19 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.418 ' HE1' ' HA ' ' E' ' 67' ' ' ILE . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.403 ' O ' HG22 ' B' ' 105' ' ' ILE . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 50.37 112.185 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 36.29 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 87.59 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.403 HG22 ' O ' ' B' ' 102' ' ' CYS . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 37.19 110.403 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 13.07 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 10.37 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 12.29 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 8.75 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 59.14 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 13.3 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 9.86 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 13.13 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.02 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 26.78 109.54 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 13.3 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 29.79 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.517 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 23.15 111.607 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 23.84 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 29.89 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 72.13 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 73.04 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 90.81 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 43.15 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 61.27 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' E' ' 8' ' ' LEU . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.57 109.574 175.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 78.12 3.49 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -73.02 -3.65 27.45 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.324 -1.307 . . . . 99.99 111.301 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.24 -35.48 12.06 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.32 1.448 . . . . 99.99 111.716 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.36 73.39 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.93 0.892 . . . . 99.99 111.608 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' B' ' 140' ' ' TYR . 1.0 OUTLIER -79.29 -38.29 35.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 174.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.73 -15.3 59.81 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.619 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -70.82 -12.66 61.68 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.774 0.321 . . . . 99.99 110.964 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -77.79 -29.52 50.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.537 0.735 . . . . 99.99 109.779 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' TYR . . . . . 0.469 ' HE1' HD22 ' B' ' 136' ' ' LEU . 33.6 m-85 -76.17 -27.61 57.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.147 0.979 . . . . 99.99 112.213 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.482 ' HB2' HG23 ' B' ' 92' ' ' THR . 2.9 pp -97.04 13.16 29.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.858 0.463 . . . . 99.99 111.716 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.57 138.22 58.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.823 0.849 . . . . 99.99 108.726 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -70.59 92.53 0.85 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.161 0.985 . . . . 99.99 109.621 -176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.4 -35.11 79.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.398 0.679 . . . . 99.99 111.437 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -103.47 97.12 7.22 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.061 -0.718 . . . . 99.99 109.061 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -69.23 -31.71 71.96 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.589 -0.732 . . . . 99.99 112.582 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -123.31 -54.84 1.78 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 99.99 108.769 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.57 76.96 0.64 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.572 -0.74 . . . . 99.99 111.711 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 18.2 m 72.8 159.65 0.22 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.178 1.391 . . . . 99.99 111.051 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -58.01 91.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.361 1.064 . . . . 99.99 110.396 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.62 -48.01 8.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.004 0.921 . . . . 99.99 110.012 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -80.78 98.66 7.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.424 -1.262 . . . . 99.99 110.285 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 76.37 -46.53 0.53 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.364 1.866 . . . . 99.99 113.811 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 p30 51.38 -170.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.188 1.395 . . . . 99.99 113.408 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.838 -0.601 . . . . 99.99 109.68 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 119.751 -0.166 . . . . 99.99 111.377 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -74.08 80.79 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.224 -1.028 . . . . 99.99 108.224 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' C' ' 7' ' ' THR . 2.2 tm-20 68.74 -90.48 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.753 1.221 . . . . 99.99 108.149 -165.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 56.54 -73.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.416 1.486 . . . . 99.99 114.603 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -88.23 47.14 1.46 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.475 1.11 . . . . 99.99 112.82 -163.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.66 21.16 11.63 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 123.776 0.83 . . . . 99.99 110.934 172.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.615 HG23 ' HG2' ' C' ' 3' ' ' GLU . 40.3 p 45.34 -84.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.615 1.566 . . . . 99.99 111.785 -164.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 64.13 147.41 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.722 1.609 . . . . 99.99 111.902 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.656 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 4.1 mpp? 60.24 109.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.563 1.145 . . . . 99.99 111.555 -172.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.585 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 30.9 m -112.62 96.99 6.29 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.938 -1.504 . . . . 99.99 106.938 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 -120.03 138.58 53.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.333 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.47 HD12 ' H ' ' C' ' 13' ' ' ILE . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 56.3 106.934 173.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 93.16 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 11.74 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' C' ' 19' ' ' LYS . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 6.91 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 21.95 108.515 170.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 5.12 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 9.28 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 8.82 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 12.04 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 30.41 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HZ1' ' D' ' 19' ' ' LYS . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 48.75 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 55.24 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 88.6 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' E' ' 297' ' ' TYR . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 68.93 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.593 HG11 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 87.15 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 94.05 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 71.87 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 62.96 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 35.73 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 56.22 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 43.42 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 94.06 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 81.86 108.415 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 29.6 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 20.9 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.558 HD23 HD12 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 69.19 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 14.53 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.42 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.472 HG21 HD21 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 17.7 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.407 HG23 HD23 ' C' ' 75' ' ' LEU . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 29.53 109.683 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 32.22 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 59.66 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' C' ' 73' ' ' ALA . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 97.29 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 76.35 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 37.0 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.596 ' HB1' ' HE1' ' E' ' 297' ' ' TYR . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 34.06 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 39.96 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 16.54 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 9.25 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 25.23 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.536 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 63.4 tp60 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 10.6 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.435 HD12 HD11 ' C' ' 51' ' ' LEU . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 30.38 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.48 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp -124.96 117.63 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' E' ' 276' ' ' PRO . . . -135.86 66.62 1.5 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.598 -0.89 . . . . 99.99 108.598 172.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.656 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -78.55 -103.32 0.21 Allowed Glycine 0 C--N 1.336 0.578 0 CA-C-N 114.114 -1.403 . . . . 99.99 111.654 176.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tp -172.81 57.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-O 122.263 1.03 . . . . 99.99 109.587 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 51.21 -167.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 126.094 1.758 . . . . 99.99 113.699 169.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.02 -134.73 52.36 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 124.005 0.812 . . . . 99.99 114.234 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.684 HG21 ' HA ' ' E' ' 147' ' ' HIS . 73.0 p -81.92 -16.7 49.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.862 1.265 . . . . 99.99 111.899 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -50.74 68.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.899 0.88 . . . . 99.99 109.236 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 17.2 mmt -60.88 -25.49 66.73 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 112.405 0.52 . . . . 99.99 112.405 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.73 67.91 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.59 0.756 . . . . 99.99 112.829 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' E' ' 145' ' ' ASP . 75.2 m-70 -68.61 -51.53 41.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.835 0.454 . . . . 99.99 110.81 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.48 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p -76.09 -49.87 16.25 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.463 -0.789 . . . . 99.99 111.224 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 68.51 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 56.52 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 56.59 112.632 -174.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 39.21 113.893 171.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 8.71 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.558 HD12 HD23 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 37.06 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 16.74 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 9.85 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 5.88 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 7.64 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 20.64 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 13.9 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.566 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 8.58 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 8.54 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 6.56 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.527 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 5.22 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 28.53 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 17.6 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 15.17 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 24.81 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.633 ' HG2' ' H ' ' E' ' 297' ' ' TYR . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 29.42 112.518 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.504 ' O ' ' HB1' ' E' ' 295' ' ' ALA . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.593 HD11 HG11 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 59.85 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 41.85 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 38.57 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 24.62 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 24.48 113.332 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 68.05 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -74.87 -33.55 62.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -58.56 -28.38 65.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 113.752 -1.567 . . . . 99.99 112.199 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.57 90.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.627 0.771 . . . . 99.99 111.937 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.404 HD22 ' HG3' ' E' ' 286' ' ' MET . 60.1 tp -54.71 -45.92 74.11 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 124.183 0.927 . . . . 99.99 110.907 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -69.69 -47.42 63.24 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.148 -0.933 . . . . 99.99 110.262 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 46.3 ttm -58.76 -27.97 65.47 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 99.99 112.335 -173.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -57.51 -37.41 72.96 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.57 0.748 . . . . 99.99 112.067 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 140' ' ' TYR . . . . . 0.633 ' HB3' HD12 ' E' ' 146' ' ' ILE . 16.0 t80 -72.32 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 123.287 0.635 . . . . 99.99 110.282 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.05 173.6 15.81 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.944 -1.097 . . . . 99.99 110.966 -170.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 142' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' E' ' 145' ' ' ASP . 61.7 tp60 -157.0 -46.33 0.07 Allowed 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.837 0.711 . . . . 99.99 110.872 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 64.44 29.49 13.39 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.026 0.93 . . . . 99.99 110.222 -172.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 63.56 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.099 1.36 . . . . 99.99 111.62 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -170.08 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.906 1.282 . . . . 99.99 109.006 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.68 -102.06 2.77 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 111.329 -0.709 . . . . 99.99 111.329 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 147' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' C' ' 149' ' ' THR . 8.4 pt-20 -152.81 -36.97 0.11 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.645 0.778 . . . . 99.99 110.552 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.34 16.11 73.16 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-N 115.909 -0.587 . . . . 99.99 113.509 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 149' ' ' THR . . . . . 0.447 ' H ' ' HG3' ' C' ' 147' ' ' GLU . 31.2 m 58.73 82.09 0.15 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 124.672 1.189 . . . . 99.99 110.992 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 60.27 98.01 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.345 1.058 . . . . 99.99 111.463 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 164.37 26.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.698 0.399 . . . . 99.99 110.308 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.03 -41.47 87.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.208 -0.905 . . . . 99.99 109.44 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 153' ' ' GLN . . . . . 0.431 ' HG2' ' H ' ' C' ' 155' ' ' ALA . 57.6 tt0 76.28 -56.8 0.57 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.705 1.602 . . . . 99.99 112.008 174.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 73.76 1.36 3.91 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.674 1.19 . . . . 99.99 112.859 172.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' C' ' 153' ' ' GLN . . . . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.139 0.975 . . . . 99.99 108.496 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t 66.4 31.58 8.14 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.373 1.069 . . . . 99.99 110.683 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.663 ' HG2' ' H ' ' D' ' 4' ' ' GLN . 12.6 tt0 -128.46 -158.28 0.87 Allowed 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.767 1.227 . . . . 99.99 108.764 -173.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.663 ' H ' ' HG2' ' D' ' 3' ' ' GLU . 68.5 mm-40 73.49 -67.71 0.25 Allowed 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.777 2.031 . . . . 99.99 111.702 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.21 -34.03 68.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.331 1.052 . . . . 99.99 111.078 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 t30 76.84 -49.87 0.56 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.774 1.63 . . . . 99.99 112.79 172.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -51.37 -61.78 2.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.522 1.129 . . . . 99.99 111.943 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' E' ' 87' ' ' ALA . 13.2 tp10 175.17 141.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.856 1.262 . . . . 99.99 108.121 -177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.508 ' HG2' HG23 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -35.42 124.56 0.64 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.915 0.886 . . . . 99.99 110.864 165.044 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m -112.24 117.7 33.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.51 ' HD2' HG22 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 76.43 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.535 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 79.46 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 53.22 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 19.87 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 8.43 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 36.9 110.843 175.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.527 HD12 ' HG3' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 4.02 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 7.64 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 5.08 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 7.19 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 13.41 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.694 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 12.01 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 20.55 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 22.26 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 34.6 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 31.63 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CZ3' ' E' ' 131' ' ' TRP . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 49.29 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.5 ' HB2' ' HB1' ' D' ' 66' ' ' ALA . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 31.29 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 52.79 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 74.77 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 66.01 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 77.52 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 38.8 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.485 ' H ' ' HA ' ' E' ' 106' ' ' TYR . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 48.36 109.789 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 52.73 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.71 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 82.32 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 96.95 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 82.8 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.494 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 57' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 44.56 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 19.48 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 52.2 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 9.25 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.515 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 10.79 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 9.72 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 19.36 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 11.33 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 29.87 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 24.97 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 27.84 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 11.35 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 10.67 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 7.73 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 11.05 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 77' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 5.05 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 21.68 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.29 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 43.57 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 77.58 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 88.57 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.582 ' HG2' HD11 ' E' ' 97' ' ' ILE . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.472 ' HB1' HD22 ' E' ' 102' ' ' LEU . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 88.9 112.162 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 95.17 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.721 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 66.02 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 54.11 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 40.76 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 34.31 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 28.69 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 3.5 m-20 -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 61.29 111.003 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.535 HG21 HD13 ' D' ' 13' ' ' ILE . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 19.65 110.762 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 13.09 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 10.47 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 6.22 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 10.48 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 4.16 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.532 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 10.22 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.39 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.478 HG23 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 5.37 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 115' ' ' THR . . . . . 0.473 HG23 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 7.06 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 6.71 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 5.08 111.675 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 5.65 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 10.21 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 6.99 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 18.26 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 20.06 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 16.85 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 14.84 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 76.73 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.485 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 20.32 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' E' ' 123' ' ' ASP . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 28.37 109.514 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.532 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 32.68 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.652 HG21 HG22 ' E' ' 121' ' ' VAL . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 69.78 111.01 -168.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -39.98 63.38 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.03 0.932 . . . . 99.99 111.768 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.03 -47.2 59.96 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.272 0.629 . . . . 99.99 110.336 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -62.63 -38.57 90.74 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.664 0.603 . . . . 99.99 111.607 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 72.0 mtm -73.71 -26.44 60.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 99.99 111.518 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.76 -26.8 62.6 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.654 0.782 . . . . 99.99 111.077 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.51 ' O ' ' HG3' ' D' ' 143' ' ' GLN . 23.6 m-85 -72.09 -16.15 62.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.884 0.698 . . . . 99.99 112.884 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 43.4 tp -44.19 -25.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.792 1.237 . . . . 99.99 113.657 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.86 47.66 0.15 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.116 1.766 . . . . 99.99 113.134 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 143' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' D' ' 140' ' ' TYR . 29.2 mt-30 -112.93 83.95 1.91 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 123.24 1.495 . . . . 99.99 108.592 -174.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 144' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' E' ' 221' ' ' ARG . 2.4 pp0? -142.66 -6.57 0.88 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 111.303 -2.68 . . . . 99.99 107.648 166.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.08 -66.01 0.65 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.424 1.09 . . . . 99.99 110.781 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.51 -55.65 24.18 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 111.935 -0.466 . . . . 99.99 111.935 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.95 -61.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 102.21 41.43 2.41 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.468 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -85.6 82.34 8.29 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 109.874 -0.417 . . . . 99.99 109.874 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 150' ' ' GLU . . . . . 0.697 ' HG2' ' HG3' ' D' ' 151' ' ' GLU . 34.9 tt0 59.73 -84.59 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.149 1.38 . . . . 99.99 112.773 172.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.697 ' HG3' ' HG2' ' D' ' 150' ' ' GLU . 0.0 OUTLIER -140.06 -105.81 0.16 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.171 0.588 . . . . 99.99 112.0 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.29 7.1 14.8 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 118.765 0.711 . . . . 99.99 112.344 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.427 0.691 . . . . 99.99 110.87 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -163.09 -70.99 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 166.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.565 -1.207 . . . . 99.99 108.247 177.068 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 111.171 0.063 . . . . 99.99 111.171 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -77.45 151.79 34.55 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.889 -0.412 . . . . 99.99 109.889 176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 66.38 114.06 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.47 1.107 . . . . 99.99 110.113 -171.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -71.34 155.05 41.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.238 0.615 . . . . 99.99 111.533 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.0 m -66.14 127.47 32.27 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.204 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.48 163.91 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.679 0.791 . . . . 99.99 111.544 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.446 ' H ' HD11 ' B' ' 42' ' ' LEU . . . -162.22 -58.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.374 0.67 . . . . 99.99 110.231 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' B' ' 131' ' ' VAL . 6.2 tt -153.17 127.32 9.1 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 106.774 -1.565 . . . . 99.99 106.774 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -87.03 0.31 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.315 0.646 . . . . 99.99 110.592 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.521 HD13 ' H ' ' E' ' 11' ' ' LEU . 0.2 OUTLIER -168.64 150.7 4.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.021 -1.103 . . . . 99.99 108.021 -175.147 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.641 HD23 ' H ' ' E' ' 11' ' ' LEU . 2.0 pt? -117.1 154.43 49.9 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 124.39 1.076 . . . . 99.99 110.307 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.23 119.51 6.81 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.709 2.273 . . . . 99.99 111.673 171.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' E' ' 14' ' ' LEU . 56.8 tp -60.73 143.36 54.54 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.608 1.163 . . . . 99.99 110.706 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.528 HD13 ' HG ' ' E' ' 13' ' ' LEU . 7.3 mp 78.75 149.48 0.1 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.649 1.58 . . . . 99.99 111.928 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' B' ' 98' ' ' LEU . 72.2 m-85 -120.42 -150.0 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.613 1.165 . . . . 99.99 109.435 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.422 ' H ' ' HD3' ' E' ' 17' ' ' PRO . 15.4 m -107.07 -49.22 0.1 Allowed Pre-proline 0 CA--C 1.577 2.009 0 C-N-CA 124.02 0.928 . . . . 99.99 113.235 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' H ' ' E' ' 16' ' ' THR . 36.9 Cg_endo -92.42 -87.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.069 0 C-N-CA 122.606 2.204 . . . . 99.99 113.042 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.97 92.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.332 0 N-CA-C 107.929 -1.138 . . . . 99.99 107.929 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -146.97 1.2 0.76 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.894 -1.048 . . . . 99.99 111.019 -169.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.11 23.64 0.46 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.822 -0.549 . . . . 99.99 112.106 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HA ' ' H ' ' B' ' 91' ' ' GLY . . . -69.49 -51.3 37.18 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.91 0.884 . . . . 99.99 111.133 175.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' E' ' 14' ' ' LEU . 1.3 tmm_? -86.54 77.62 9.37 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 14.6 t -153.32 148.51 20.02 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.052 -0.976 . . . . 99.99 109.083 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.67 135.54 26.25 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.811 1.674 . . . . 99.99 110.333 168.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' GLU . . . . . 0.434 ' HG3' ' HD2' ' E' ' 27' ' ' PRO . 14.2 tp10 -62.35 -59.63 4.72 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.559 0.744 . . . . 99.99 109.616 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.295 88.2 mtp 97.61 -61.47 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 127.858 2.463 . . . . 99.99 113.966 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.434 ' HD2' ' HG3' ' E' ' 25' ' ' GLU . 24.6 Cg_exo -65.6 84.9 0.22 Allowed 'Trans proline' 0 C--N 1.402 3.379 0 CA-C-N 123.191 2.176 . . . . 99.99 112.631 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.68 -26.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.416 1.086 . . . . 99.99 109.538 174.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 29' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' E' ' 30' ' ' GLU . 23.1 tp -87.47 -176.71 5.7 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.639 1.176 . . . . 99.99 108.739 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 30' ' ' GLU . . . . . 0.404 ' H ' ' HG ' ' E' ' 29' ' ' LEU . 19.7 mm-40 -50.58 96.98 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.457 1.103 . . . . 99.99 111.693 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 31' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' E' ' 34' ' ' ALA . 28.1 p-10 -73.76 -25.88 60.38 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.458 0.703 . . . . 99.99 111.336 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 71.63 -71.11 0.14 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.531 1.532 . . . . 99.99 108.953 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.48 -75.63 0.56 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 108.342 -0.985 . . . . 99.99 108.342 170.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' E' ' 31' ' ' ASN . . . 52.82 28.96 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.695 1.198 . . . . 99.99 113.004 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -162.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 108.936 -172.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.39 -66.8 0.3 Allowed Glycine 0 C--N 1.342 0.883 0 CA-C-N 115.351 -0.841 . . . . 99.99 111.744 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -150.65 157.3 42.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.256 0.622 . . . . 99.99 109.745 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -43.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 123.786 0.834 . . . . 99.99 109.146 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 39' ' ' THR . . . . . 0.652 HG21 ' HA ' ' B' ' 5' ' ' ASN . 46.0 p 48.65 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.083 1.753 . . . . 99.99 113.701 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.51 89.32 13.78 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.208 0.603 . . . . 99.99 109.429 174.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.73 -2.26 11.61 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.127 2.551 . . . . 99.99 111.719 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.27 -143.24 27.04 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.461 0.476 . . . . 99.99 113.198 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.34 28.58 5.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.075 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 44' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' E' ' 48' ' ' THR . . . -64.04 98.55 0.22 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.101 0.96 . . . . 99.99 109.814 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -146.02 -53.43 0.26 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.656 -169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -138.11 91.66 2.59 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.566 -1.272 . . . . 99.99 107.566 -173.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 52.52 39.63 28.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.725 1.21 . . . . 99.99 111.524 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 48' ' ' THR . . . . . 0.472 ' HB ' ' HA ' ' E' ' 44' ' ' ALA . 13.0 m -84.03 75.88 10.11 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.204 -0.907 . . . . 99.99 110.419 -173.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.36 -62.89 0.69 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 109.923 -1.271 . . . . 99.99 109.923 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -96.93 141.99 29.43 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 109.562 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -89.65 -36.44 15.25 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.396 0.678 . . . . 99.99 111.77 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 71.1 p -78.99 -14.32 59.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.053 0.541 . . . . 99.99 111.425 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.78 -53.89 22.44 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.259 1.424 . . . . 99.99 113.006 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.58 18.85 0.07 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.538 0.735 . . . . 99.99 110.562 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.76 166.25 12.67 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.7 ttm-85 -104.12 -62.27 1.34 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 106.974 -1.491 . . . . 99.99 106.974 163.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -131.12 -21.57 2.63 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.026 -1.443 . . . . 99.99 108.95 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 33.8 t -154.02 178.91 9.42 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.891 0.876 . . . . 99.99 110.057 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.99 -48.52 70.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.7 1.2 . . . . 99.99 110.938 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 54.1 p -72.12 -33.11 67.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.561 0.744 . . . . 99.99 110.841 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 159.61 -55.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.157 2.183 . . . . 99.99 107.435 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.474 ' HZ3' ' HG3' ' E' ' 79' ' ' GLU . 8.6 ptpp? -133.63 159.57 71.97 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 113.555 -1.657 . . . . 99.99 107.71 176.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -31.2 -45.72 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.085 1 C-N-CA 125.338 4.025 . . . . 99.99 117.031 -171.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 146.04 24.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.9 0.48 . . . . 99.99 110.955 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' E' ' 78' ' ' SER . 87.5 tttt -84.96 73.39 10.68 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.227 -0.657 . . . . 99.99 109.227 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 66' ' ' ASN . . . . . 0.442 ' HA ' ' HG3' ' E' ' 312' ' ' PRO . 10.5 t30 75.14 -44.52 0.54 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.492 1.517 . . . . 99.99 112.757 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HE1' ' B' ' 101' ' ' TYR . 7.1 tp -84.09 102.42 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 124.005 0.922 . . . . 99.99 109.847 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.57 92.4 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.93 161.17 32.48 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.391 1.077 . . . . 99.99 108.235 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.54 22.4 2.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.2 0.6 . . . . 99.99 112.258 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.431 HG12 ' CE2' ' E' ' 120' ' ' TYR . 11.4 tt -128.3 118.94 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.834 0.854 . . . . 99.99 109.041 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.28 39.25 0.67 Allowed Glycine 0 N--CA 1.475 1.258 0 CA-C-N 116.153 -0.476 . . . . 99.99 112.163 -173.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.34 68.0 8.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.554 1.142 . . . . 99.99 110.448 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.41 99.61 0.15 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.6 ptm -80.25 142.69 34.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.143 0.577 . . . . 99.99 110.523 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.21 -159.9 30.06 Favored Glycine 0 C--N 1.34 0.781 0 N-CA-C 110.622 -0.991 . . . . 99.99 110.622 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.4 88.43 2.9 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.603 -0.888 . . . . 99.99 108.603 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 78' ' ' SER . . . . . 0.518 ' HB3' ' HD2' ' E' ' 65' ' ' LYS . 27.0 m -80.91 -17.74 49.54 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.651 0.78 . . . . 99.99 112.344 -176.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.474 ' HG3' ' HZ3' ' E' ' 62' ' ' LYS . 34.6 mm-40 -85.51 -61.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.536 0.734 . . . . 99.99 111.364 -169.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt 60.81 109.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.801 1.313 . . . . 99.99 110.247 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 7.6 p -57.07 108.51 0.52 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.675 0.79 . . . . 99.99 111.46 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.79 167.95 15.6 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.206 1.002 . . . . 99.99 110.717 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 -145.92 0.38 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.916 0.886 . . . . 99.99 109.552 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' E' ' 84' ' ' ARG . 2.5 mmp_? -65.4 -29.23 69.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.066 0.546 . . . . 99.99 111.137 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 68.93 169.75 0.29 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.923 1.289 . . . . 99.99 112.051 173.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 83.3 t80 66.74 116.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.59 1.156 . . . . 99.99 111.756 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 87' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' D' ' 8' ' ' GLU . . . -141.11 161.94 36.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.36 0.664 . . . . 99.99 110.346 175.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.88 160.4 29.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.041 -0.981 . . . . 99.99 110.168 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.35 -174.27 49.73 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.938 -0.865 . . . . 99.99 110.938 168.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.72 -72.19 0.64 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 117.54 0.67 . . . . 99.99 110.137 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.34 -169.13 39.37 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 123.277 0.36 . . . . 99.99 112.618 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.75 -76.83 0.81 Allowed Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.505 -0.638 . . . . 99.99 111.505 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -138.96 -32.52 0.67 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -163.2 -103.83 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.937 0.495 . . . . 99.99 111.612 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -151.0 134.07 15.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.62 1.168 . . . . 99.99 108.938 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.9 88.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.582 0 O-C-N 124.539 1.149 . . . . 99.99 115.19 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' D' ' 94' ' ' MET . 8.0 tt -71.0 -17.08 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.15 0.98 . . . . 99.99 109.449 167.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 82.12 106.28 0.06 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.769 2.028 . . . . 99.99 109.064 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 68.34 -74.81 0.07 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.393 1.477 . . . . 99.99 112.916 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 tp 62.05 65.42 1.65 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 125.091 1.357 . . . . 99.99 109.622 -170.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -87.58 -17.98 2.64 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.061 2.507 . . . . 99.99 112.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' E' ' 105' ' ' GLN . 20.4 mt 66.22 138.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.514 1.926 . . . . 99.99 112.855 -174.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 1.8 t -78.66 80.53 5.02 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 162.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.2 93.22 1.97 Allowed Glycine 0 C--N 1.347 1.174 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -167.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 105' ' ' GLN . . . . . 0.546 ' HA ' ' HB2' ' E' ' 102' ' ' LEU . 59.5 tt0 -67.63 -24.13 65.43 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.013 0.746 . . . . 99.99 113.013 -169.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 106' ' ' TYR . . . . . 0.485 ' HA ' ' H ' ' D' ' 48' ' ' SER . 97.4 m-85 -84.63 -61.28 1.83 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.469 -0.937 . . . . 99.99 108.469 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.02 162.02 40.37 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.961 1.304 . . . . 99.99 108.699 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 108' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' D' ' 151' ' ' GLU . 65.6 t60 -66.2 -29.28 69.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.246 0.618 . . . . 99.99 110.932 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -129.64 -166.99 1.73 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.032 0.933 . . . . 99.99 110.406 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 121.92 45.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.166 0.986 . . . . 99.99 108.766 173.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.93 -32.17 23.24 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.349 0.66 . . . . 99.99 111.815 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -112.65 13.27 19.9 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.947 0.721 . . . . 99.99 112.947 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.96 -174.85 2.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.726 0.41 . . . . 99.99 111.249 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.92 -70.53 0.12 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.536 1.134 . . . . 99.99 110.471 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 62.98 -78.17 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.877 1.271 . . . . 99.99 111.918 172.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -140.71 -84.43 0.09 OUTLIER Glycine 0 N--CA 1.468 0.772 0 N-CA-C 108.117 -1.993 . . . . 99.99 108.117 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -148.55 124.65 5.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 125.075 1.35 . . . . 99.99 107.521 163.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.451 ' HG2' ' H ' ' E' ' 421' ' ' VAL . 57.3 Cg_endo -76.93 84.66 1.89 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.944 1.763 . . . . 99.99 110.763 166.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.69 -179.37 7.3 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 115.259 -0.882 . . . . 99.99 109.822 172.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' E' ' 71' ' ' ILE . 24.0 t80 68.77 -178.13 0.22 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.245 1.018 . . . . 99.99 108.499 -173.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.652 HG22 HG21 ' D' ' 131' ' ' VAL . 35.7 t 70.2 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 123.946 0.898 . . . . 99.99 111.271 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 87.6 m -153.36 -46.17 0.09 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 123' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . 1.0 OUTLIER 62.44 -93.85 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.105 -1.407 . . . . 99.99 110.917 177.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p 44.7 -153.98 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.236 1.414 . . . . 99.99 112.676 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 67.73 -77.66 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.885 1.274 . . . . 99.99 113.318 165.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.24 93.29 0.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.214 1.005 . . . . 96.83 111.129 -174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.5 p -169.71 154.22 5.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.315 0.646 . . . . 99.99 111.04 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.33 125.53 6.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.302 0.641 . . . . 74.48 111.045 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.9 t -97.59 138.53 34.87 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.839 0.856 . . . . 99.99 111.042 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.458 ' HB1' ' HG3' ' A' ' 124' ' ' PRO . . . -172.7 93.58 0.12 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.705 0.802 . . . . 99.99 110.734 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' D' ' 35' ' ' ASP . 5.7 m-90 -86.04 159.62 19.54 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.166 0.587 . . . . 99.99 110.885 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -114.35 173.09 6.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.363 0.665 . . . . 99.99 111.815 -175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t -86.63 170.87 11.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.056 -0.975 . . . . 99.99 110.611 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.57 177.56 30.78 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.452 -0.794 . . . . 89.58 111.669 168.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 129' ' ' ALA . 5.4 p -132.6 132.3 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.692 0.797 . . . . 99.99 110.055 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 11' ' ' PHE . 87.6 tttt -100.09 93.11 5.56 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.18 0.592 . . . . 99.99 109.529 175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 53.6 m -150.23 128.92 12.35 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.954 -1.128 . . . . 99.99 107.954 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -165.36 137.15 4.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.13 -46.18 62.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.403 0.681 . . . . 99.99 111.035 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 124.79 -107.39 1.0 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.72 -0.552 . . . . 99.99 111.72 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.06 -10.99 58.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.125 0.57 . . . . 99.99 112.05 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 tp 61.61 31.87 18.67 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.619 1.199 . . . . 99.99 109.312 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.77 -91.03 1.66 Allowed Glycine 0 C--N 1.344 1.004 0 CA-C-N 114.544 -1.207 . . . . 99.99 111.514 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.05 115.53 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.758 0.823 . . . . 99.99 112.949 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' C' ' 142' ' ' GLN . 19.6 t70 -87.43 145.71 26.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.009 0.524 . . . . 99.99 109.694 172.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 146' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' C' ' 140' ' ' TYR . 35.2 mm -117.41 93.76 2.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.625 -0.88 . . . . 99.99 108.625 -175.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 147' ' ' HIS . . . . . 0.684 ' HA ' HG21 ' C' ' 92' ' ' THR . 58.1 t-80 -74.36 86.09 1.98 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 121.374 0.607 . . . . 99.99 109.607 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -148.02 100.68 3.21 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 126.038 1.735 . . . . 99.99 107.116 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.34 146.74 36.54 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.347 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.21 161.07 31.71 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.795 0.838 . . . . 99.99 111.055 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -128.91 -53.45 0.03 OUTLIER Pre-proline 0 CA--C 1.566 1.594 0 CA-C-N 115.244 -0.889 . . . . 99.99 112.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -88.07 24.39 0.71 Allowed 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 122.084 1.856 . . . . 99.99 114.683 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 27.0 m -92.55 95.28 9.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 109.211 -0.662 . . . . 99.99 109.211 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.428 HD12 ' H ' ' E' ' 154' ' ' ILE . 3.9 mp -76.26 -68.9 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 109.462 -0.569 . . . . 99.99 109.462 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -116.91 -49.26 2.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.649 0.78 . . . . 99.99 109.716 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -144.04 -77.75 0.22 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -146.25 142.85 28.77 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.395 -0.594 . . . . 99.99 109.395 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.37 55.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.593 0.757 . . . . 99.99 111.682 -176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -76.75 -7.62 55.72 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.327 0.651 . . . . 99.99 112.48 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.87 68.29 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.035 0.534 . . . . 99.99 111.146 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.15 159.47 27.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.828 0.851 . . . . 99.99 110.007 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.5 40.19 6.48 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.672 0.608 . . . . 99.99 112.779 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.68 152.54 31.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.303 0.641 . . . . 99.99 109.893 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -121.43 -50.56 2.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.492 0.717 . . . . 99.99 110.657 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 78.9 p 54.78 -77.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.104 1.762 . . . . 99.99 113.042 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 136.42 -0.51 3.16 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.649 -0.528 . . . . 99.99 112.796 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -66.84 109.32 2.86 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.127 0.571 . . . . 99.99 111.052 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.09 -30.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.959 0.903 . . . . 99.99 110.479 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 41.9 t -60.17 -66.71 0.48 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.118 0.967 . . . . 99.99 112.307 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 30.3 m 53.48 -90.34 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.765 1.226 . . . . 99.99 111.701 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.42 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.434 1.494 . . . . 99.99 111.725 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -142.73 -70.49 0.33 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.259 -1.385 . . . . 99.99 107.259 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 87.2 mt -121.47 104.42 9.65 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.28 -1.378 . . . . 99.99 107.28 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.88 140.45 58.87 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.714 0.806 . . . . 99.99 110.567 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.0 t70 65.8 34.42 7.42 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.444 1.098 . . . . 99.99 110.808 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.13 81.71 1.28 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.707 -0.62 . . . . 99.99 109.79 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.0 m -69.6 124.76 91.23 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.627 -1.17 . . . . 99.99 109.981 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.58 73.31 2.3 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.13 2.554 . . . . 99.99 111.608 174.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -88.78 -12.78 41.12 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.469 176.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -92.74 -168.75 2.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.054 0.942 . . . . 99.99 110.533 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.81 159.46 16.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.51 0.724 . . . . 99.99 110.545 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.43 150.52 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 124.401 1.063 . . . . 99.99 110.559 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.82 -155.31 0.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.06 1.344 . . . . 99.99 110.382 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 54.3 m80 78.91 -58.16 0.42 Allowed 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.665 1.586 . . . . 99.99 110.688 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.6 -43.88 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.799 0.84 . . . . 99.99 109.61 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.3 t -137.88 147.21 44.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.395 1.078 . . . . 99.99 108.564 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 21.8 t -159.85 179.71 8.57 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.573 0.624 . . . . 99.99 111.472 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -132.28 -176.34 4.04 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.585 1.154 . . . . 99.99 110.593 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? 69.74 -80.01 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.432 1.493 . . . . 99.99 110.727 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 61.0 m -155.12 -45.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 70.7 t80 74.08 -58.86 0.57 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 126.375 1.87 . . . . 99.99 110.913 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -139.62 -162.04 8.96 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.149 -0.78 . . . . 99.99 111.149 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.54 -150.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.072 2.515 . . . . 99.99 112.539 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 70.6 m 72.31 176.48 0.27 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.761 1.224 . . . . 99.99 111.317 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 64.4 14.72 9.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.324 1.05 . . . . 99.99 111.789 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.5 m -152.11 160.32 43.45 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.239 1.415 . . . . 99.99 107.773 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 197' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' E' ' 200' ' ' CYS . 25.1 m -78.9 43.9 0.53 Allowed 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.615 0.766 . . . . 99.99 111.241 175.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 59.15 -86.35 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.316 1.846 . . . . 99.99 111.671 -175.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.546 ' HD2' ' H ' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -93.2 -24.1 18.33 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.288 0.635 . . . . 99.99 110.463 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' E' ' 197' ' ' SER 0.267 83.9 m 102.94 -67.4 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.813 0 C-N-CA 128.267 2.627 . . . . 99.99 111.914 -176.442 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' E' ' 200' ' ' CYS . 12.0 Cg_exo -68.74 105.22 1.27 Allowed 'Trans proline' 0 C--N 1.399 3.214 0 CA-C-N 122.789 2.032 . . . . 99.99 112.222 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -80.6 79.21 1.78 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 109.415 -1.474 . . . . 99.99 109.415 167.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.43 -51.11 70.08 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.752 0.821 . . . . 99.99 111.348 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -167.66 -81.33 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.07 -0.968 . . . . 99.99 109.43 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 48.94 40.09 16.01 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 125.234 1.414 . . . . 99.99 110.981 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.64 -67.44 0.25 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.502 1.521 . . . . 99.99 111.466 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -130.54 128.36 40.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.074 0.949 . . . . 99.99 109.939 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -93.29 -160.45 35.35 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 116.082 -0.508 . . . . 99.99 112.319 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.39 162.58 53.48 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.284 -0.326 . . . . 99.99 112.284 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -91.27 40.16 1.02 Allowed 'General case' 0 CA--C 1.563 1.447 0 CA-C-O 121.773 0.797 . . . . 99.99 109.737 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 143.56 -179.04 21.3 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.883 -0.599 . . . . 99.99 111.702 -176.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.4 t -156.33 152.54 27.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.174 0.589 . . . . 99.99 110.79 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 61.6 mt -115.71 150.94 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.91 1.284 . . . . 99.99 109.984 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 17.6 m -76.76 70.95 3.29 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.449 1.119 . . . . 99.99 109.674 172.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.63 -11.13 46.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.095 1.358 . . . . 99.99 111.633 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.89 -49.05 60.15 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.999 1.319 . . . . 99.99 113.228 -168.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.555 HD23 ' H ' ' E' ' 220' ' ' ALA . 3.7 tt -163.42 -73.77 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.339 -1.356 . . . . 99.99 107.339 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 48.1 tp 46.11 79.12 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.38 1.472 . . . . 99.99 112.77 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.13 29.5 19.06 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.156 0.982 . . . . 99.99 111.175 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 220' ' ' ALA . . . . . 0.555 ' H ' HD23 ' E' ' 217' ' ' LEU . . . 61.77 35.72 16.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.014 1.325 . . . . 99.99 110.652 -176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' D' ' 144' ' ' GLN . 97.5 mtt180 64.06 85.4 0.14 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.44 1.496 . . . . 99.99 110.635 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -121.45 165.11 16.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.691 0.796 . . . . 99.99 110.953 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.38 137.85 58.11 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.259 0.974 . . . . 99.99 110.472 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.55 173.04 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.013 0.525 . . . . 99.99 109.975 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -56.67 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.534 0.734 . . . . 99.99 111.635 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 226' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' E' ' 231' ' ' LYS . 72.6 mt 54.82 59.26 4.19 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.557 1.543 . . . . 99.99 110.949 -174.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -73.49 -63.94 2.63 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.53 -0.759 . . . . 99.99 112.795 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -77.94 75.43 1.88 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 112.741 -0.144 . . . . 99.99 112.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 171.52 -167.52 40.61 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 122.686 0.184 . . . . 99.99 113.122 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -129.39 18.71 5.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.787 1.235 . . . . 99.99 110.618 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.408 ' HG3' HD13 ' E' ' 226' ' ' LEU . 42.1 tttm 70.47 -80.12 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.344 1.857 . . . . 99.99 112.182 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 5.4 t -157.48 68.05 0.52 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.098 0.559 . . . . 99.99 110.555 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 63.8 t80 57.5 -84.82 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.702 1.201 . . . . 99.99 112.795 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -140.21 32.6 1.92 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.679 0.792 . . . . 99.99 110.758 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 60.86 -79.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.338 1.455 . . . . 99.99 111.812 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 50.4 p -79.19 -61.98 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.202 0.601 . . . . 99.99 110.12 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.53 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.72 1.208 . . . . 99.99 111.129 -174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 16.5 m 69.8 -11.57 0.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.582 1.327 . . . . 99.99 114.582 166.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -74.33 107.23 6.36 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.735 -0.603 . . . . 99.99 110.532 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 142.9 -175.87 22.82 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-O 119.469 -0.628 . . . . 99.99 111.585 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.66 -84.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.254 1.422 . . . . 99.99 112.235 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -67.39 -34.44 77.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.609 0.763 . . . . 99.99 110.923 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.98 -19.96 19.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.172 0.989 . . . . 99.99 109.762 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -65.48 -12.57 56.47 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 118.779 -1.011 . . . . 99.99 115.14 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' E' ' 246' ' ' THR . 28.2 ttmt 67.65 -179.37 0.22 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.199 0.999 . . . . 99.99 110.141 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.741 ' HA ' ' HB3' ' E' ' 250' ' ' GLN . 86.7 m 82.5 -54.89 0.21 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.099 1.36 . . . . 99.99 113.544 166.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.7 -55.66 9.02 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.551 1.141 . . . . 99.99 113.876 -164.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.595 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -83.06 -68.62 0.69 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.992 0.425 . . . . 99.99 111.704 -169.08 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -86.74 -58.0 2.77 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.66 0.784 . . . . 99.99 111.023 -170.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.741 ' HB3' ' HA ' ' E' ' 246' ' ' THR . 23.2 tm0? -64.46 -15.14 60.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.505 1.122 . . . . 99.99 112.416 -169.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -50.22 -20.58 1.07 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.996 1.318 . . . . 99.99 113.646 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.07 -13.8 13.53 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.592 1.157 . . . . 99.99 113.644 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -43.9 -42.94 6.11 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.128 1.771 . . . . 99.99 114.524 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -124.62 143.22 50.84 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.88 0.472 . . . . 99.99 110.875 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.02 38.21 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.272 -0.876 . . . . 99.99 111.069 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -79.96 63.9 4.63 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.394 1.092 . . . . 99.99 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -99.96 -52.41 3.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.391 -0.822 . . . . 99.99 109.947 -173.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 258' ' ' LEU . . . . . 0.597 ' HG ' ' H ' ' E' ' 259' ' ' VAL . 14.9 tp 58.7 -156.8 0.33 Allowed 'General case' 0 CA--C 1.563 1.468 0 O-C-N 124.41 1.069 . . . . 99.99 109.616 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.597 ' H ' ' HG ' ' E' ' 258' ' ' LEU . 18.1 t 59.58 23.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 CA-C-O 122.761 1.267 . . . . 99.99 110.618 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 14.7 m -82.85 161.96 21.76 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.909 -1.041 . . . . 99.99 110.248 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 71.82 -84.94 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.816 1.246 . . . . 99.99 111.73 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.83 -68.28 0.38 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.345 0.658 . . . . 99.99 112.445 -168.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -77.8 -1.62 32.36 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.727 0.811 . . . . 99.99 111.572 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 45.5 t -94.49 -12.83 26.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.092 0.957 . . . . 99.99 111.034 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 79.8 mt 70.43 143.16 0.05 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.287 1.435 . . . . 99.99 111.28 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.94 82.84 0.16 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.241 1.016 . . . . 99.99 109.378 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.6 m -91.67 176.48 6.52 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.018 -0.992 . . . . 99.99 112.866 -163.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.306 2.5 m 73.45 -28.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 C-N-CA 128.548 2.739 . . . . 99.99 114.319 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 27.6 m -147.6 -81.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.11 -0.7 . . . . 99.99 109.11 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -165.54 -68.98 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -86.55 3.09 45.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.542 ' HB3' ' HB2' ' E' ' 275' ' ' LYS . 7.8 m120 -58.33 -57.97 10.55 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.105 0.962 . . . . 99.99 111.616 -172.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 52.69 -82.54 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 125.219 1.408 . . . . 99.99 112.503 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.69 -35.62 80.58 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.502 1.121 . . . . 99.99 110.983 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' E' ' 272' ' ' ASN . 99.3 mttt -68.84 127.3 93.18 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 114.452 -1.249 . . . . 99.99 111.682 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' C' ' 87' ' ' ALA . 17.3 Cg_exo -67.61 -74.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.084 2.523 . . . . 99.99 111.822 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 178.37 171.33 0.75 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.947 1.299 . . . . 99.99 109.045 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.407 HD11 HD13 ' C' ' 86' ' ' ILE . 4.8 tt -126.97 119.29 26.32 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 106.748 -1.575 . . . . 99.99 106.748 168.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -161.0 89.29 0.11 Allowed Glycine 0 C--N 1.348 1.232 0 CA-C-O 120.066 -0.297 . . . . 99.99 112.874 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -170.22 111.43 0.42 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.629 -1.619 . . . . 99.99 106.629 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -160.73 71.47 0.43 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.576 0.703 . . . . 99.99 109.391 170.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -77.17 125.42 29.3 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.745 -1.116 . . . . 99.99 109.202 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.45 124.79 21.62 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.616 0.767 . . . . 99.99 110.023 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -156.11 162.77 31.56 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 123.533 0.521 . . . . 99.99 111.862 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -140.21 134.17 30.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.778 0.831 . . . . 99.99 109.77 -175.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' E' ' 286' ' ' MET . 1.3 mpt? -86.91 128.59 55.44 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.772 0.829 . . . . 99.99 109.32 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -64.96 100.18 0.35 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.125 2.55 . . . . 99.99 111.761 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 59.0 t -122.69 125.55 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.651 0.78 . . . . 99.99 109.937 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.574 ' HB2' ' HD3' ' E' ' 446' ' ' PRO . 34.7 ttm180 -88.88 146.53 24.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.539 -0.912 . . . . 99.99 108.539 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -79.72 144.82 33.31 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 72.06 79.83 0.41 Allowed Glycine 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.47 170.94 17.63 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.875 2.383 . . . . 99.99 111.925 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -87.78 65.19 8.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.884 -0.784 . . . . 99.99 108.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 295' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' C' ' 125' ' ' GLN . . . -164.46 177.11 8.42 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.195 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 25.3 m 62.44 84.4 0.14 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.621 1.168 . . . . 99.99 111.311 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.633 ' H ' ' HG2' ' C' ' 124' ' ' PRO . 27.1 m-85 62.73 101.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.23 1.412 . . . . 99.99 112.68 175.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -143.71 22.96 1.78 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 95.12 -177.12 34.96 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.65 -0.705 . . . . 99.99 112.533 -173.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.98 67.7 0.89 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.442 1.097 . . . . 99.99 111.45 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.34 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 107.871 -1.159 . . . . 99.99 107.871 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -154.43 152.21 29.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.757 0.423 . . . . 99.99 111.264 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -142.3 144.31 30.7 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.564 1.546 . . . . 99.99 108.72 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.29 129.54 25.79 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.019 2.479 . . . . 99.99 112.466 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -68.87 132.71 47.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.772 0.829 . . . . 99.99 111.384 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.05 158.89 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.162 0.985 . . . . 99.99 110.1 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 10.5 t -124.01 149.66 45.79 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 122.048 -0.407 . . . . 99.99 109.934 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 23.7 p -155.23 122.41 5.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.983 0.513 . . . . 99.99 110.652 -176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 14.3 p -142.19 114.19 6.33 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 125.081 1.352 . . . . 99.99 107.486 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.75 -93.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.355 2.037 . . . . 99.99 113.903 -172.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 8.5 t30 51.07 65.11 7.1 Favored Pre-proline 0 CA--C 1.566 1.571 0 C-N-CA 124.608 1.163 . . . . 99.99 110.903 -169.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 312' ' ' PRO . . . . . 0.442 ' HG3' ' HA ' ' E' ' 66' ' ' ASN . 85.7 Cg_endo -79.46 83.81 2.17 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.126 2.551 . . . . 99.99 112.164 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -97.34 114.9 26.77 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.489 ' HE ' ' HB ' ' B' ' 92' ' ' THR . 32.0 tpt180 -159.34 -21.34 0.07 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.235 0.614 . . . . 99.99 111.626 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -69.87 -9.54 55.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 117.897 0.317 . . . . 99.99 111.47 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 24.5 t70 71.05 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 125.455 1.502 . . . . 99.99 109.882 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 63.6 p -143.9 136.61 27.16 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.933 0.893 . . . . 99.99 109.134 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.43 126.3 92.25 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.01 0.524 . . . . 99.99 109.701 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.98 -57.95 0.97 Allowed 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.659 2.239 . . . . 99.99 112.5 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m 64.99 -69.02 0.1 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.555 1.542 . . . . 99.99 113.08 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.79 -54.17 25.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.21 1.004 . . . . 99.99 110.303 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 64.45 -77.68 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.908 1.283 . . . . 99.99 111.741 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -112.91 -11.59 13.4 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.411 0.684 . . . . 99.99 111.325 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.663 ' HB2' ' HD2' ' E' ' 404' ' ' LYS . 24.8 ttt -56.49 -54.02 50.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.493 0.717 . . . . 99.99 111.124 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 325' ' ' THR . . . . . 0.628 HG23 ' H ' ' E' ' 326' ' ' ASP 0.254 7.2 t 37.55 -86.53 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 126.57 1.948 . . . . 99.99 114.215 -177.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.628 ' H ' HG23 ' E' ' 325' ' ' THR . 5.3 p-10 -148.1 10.79 0.91 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.646 1.179 . . . . 99.99 109.612 175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.57 93.97 0.54 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.904 1.282 . . . . 99.99 109.468 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.549 ' H ' ' HA ' ' E' ' 332' ' ' LEU . . . -87.46 -81.9 0.23 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.859 0.688 . . . . 99.99 112.859 -168.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.599 HG12 ' HB2' ' E' ' 335' ' ' ASN . 1.1 pp -89.9 -75.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 118.112 0.415 . . . . 99.99 112.054 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.529 ' H ' HD12 ' E' ' 329' ' ' ILE . 37.9 mt-10 -99.72 -64.31 1.05 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.017 0.826 . . . . 99.99 110.108 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.95 -64.16 1.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 115.184 -0.916 . . . . 99.99 111.318 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' E' ' 328' ' ' ALA . 2.2 pt? -168.53 -159.74 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.844 0.858 . . . . 99.99 109.296 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 53.1 p 74.28 -12.12 0.92 Allowed 'General case' 0 N--CA 1.507 2.382 0 C-N-CA 125.911 1.684 . . . . 99.99 114.902 165.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 61.95 23.4 13.78 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.007 0.923 . . . . 99.99 112.286 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 335' ' ' ASN . . . . . 0.599 ' HB2' HG12 ' E' ' 329' ' ' ILE . 11.9 t30 66.38 18.88 10.94 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.427 1.091 . . . . 99.99 111.193 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 59.95 88.88 0.07 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.19 0.996 . . . . 99.99 110.661 -174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -69.48 98.14 1.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.094 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 90.0 123.59 2.54 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -69.05 -42.01 76.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 117.697 0.748 . . . . 99.99 109.38 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 56.84 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.491 1.516 . . . . 99.99 111.88 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 88.1 mt -122.24 -7.84 8.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.472 0.709 . . . . 99.99 112.332 -174.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -73.04 117.67 15.05 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.561 0.696 . . . . 99.99 109.334 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 34.5 m -89.1 168.14 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.783 0 C-N-CA 124.008 0.923 . . . . 99.99 109.154 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.31 114.43 3.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -154.04 8.48 0.41 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.428 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -88.54 61.14 5.95 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.723 -0.843 . . . . 99.99 108.723 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.7 m -89.47 37.74 0.88 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.973 -1.012 . . . . 99.99 110.185 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 139.32 18.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 124.463 1.105 . . . . 99.99 109.879 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.45 102.64 2.71 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 172.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -72.26 86.09 1.09 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.043 -0.725 . . . . 99.99 109.043 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -55.38 9.13 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.502 -1.295 . . . . 99.99 107.502 176.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t70 59.94 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 O-C-N 125.308 1.63 . . . . 99.99 111.168 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -56.17 -43.55 78.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.7 0.8 . . . . 99.99 110.888 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 60.58 -173.74 0.12 Allowed 'General case' 0 CA--C 1.553 1.085 0 O-C-N 124.586 1.179 . . . . 99.99 112.488 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.73 74.54 2.08 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.291 -1.003 . . . . 99.99 108.291 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.1 t30 63.64 91.25 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.676 1.19 . . . . 99.99 110.536 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.54 7.85 4.27 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.977 2.452 . . . . 99.99 112.584 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 43.8 t -85.54 135.69 33.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.398 1.079 . . . . 99.99 109.98 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -87.12 -138.18 5.42 Favored Glycine 0 C--N 1.347 1.151 0 O-C-N 123.313 0.383 . . . . 99.99 113.032 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -67.66 -45.43 75.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.652 0.781 . . . . 99.99 109.899 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 28.1 pt -106.34 -151.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 169.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -55.18 -72.54 0.54 Allowed Glycine 0 C--N 1.363 2.043 0 N-CA-C 110.768 -0.933 . . . . 99.99 110.768 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 65.25 108.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.975 1.31 . . . . 99.99 112.307 167.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 41.8 m 69.08 -64.77 0.32 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.999 1.32 . . . . 99.99 110.928 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.66 138.75 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.544 0.738 . . . . 99.99 109.715 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.09 151.35 27.06 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.938 0.895 . . . . 99.99 110.17 -173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.46 -21.2 65.55 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.631 0.604 . . . . 99.99 112.631 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.8 -24.52 55.95 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.888 0.475 . . . . 99.99 110.943 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.92 -32.48 73.77 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.311 0.577 . . . . 99.99 110.198 173.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.75 63.83 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.315 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.17 -38.87 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.307 0.575 . . . . 99.99 109.472 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.31 -18.42 64.59 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.836 -1.074 . . . . 99.99 112.709 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -57.95 -31.38 66.8 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.089 0.556 . . . . 99.99 112.354 -173.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.9 59.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.054 0.542 . . . . 99.99 110.645 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.25 -45.06 94.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 99.99 109.845 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.4 -46.84 78.46 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.638 1.175 . . . . 99.99 110.078 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.19 -30.44 70.39 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.507 0.723 . . . . 99.99 111.106 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.16 64.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.39 0.676 . . . . 99.99 111.235 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -71.16 -26.71 63.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.738 0.415 . . . . 99.99 110.537 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt 64.43 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.362 1.139 0 C-N-CA 125.481 1.512 . . . . 99.99 110.426 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 -42.29 0.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.232 1.013 . . . . 99.99 109.082 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 69.93 -82.89 0.31 Allowed Glycine 0 C--N 1.352 1.459 0 CA-C-N 116.426 -0.352 . . . . 99.99 112.689 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -146.45 7.15 0.99 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.715 0.806 . . . . 99.99 111.296 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 p -61.16 113.02 2.35 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.435 0.694 . . . . 99.99 111.846 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.63 6.68 4.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.009 1.324 . . . . 99.99 112.14 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.13 102.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 N-CA-C 107.981 -1.118 . . . . 99.99 107.981 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 26.8 pt -127.64 139.43 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.713 0.805 . . . . 99.99 109.631 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 60.1 t -103.47 111.95 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.221 -1.029 . . . . 99.99 108.221 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.4 t -125.33 146.62 49.49 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.957 0.903 . . . . 99.99 109.216 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.39 83.55 6.4 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -170.73 107.17 0.29 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.329 1.052 . . . . 99.99 108.848 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.4 m80 49.33 74.7 0.18 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.754 1.222 . . . . 99.99 110.812 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -59.69 96.48 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.515 -0.55 . . . . 99.99 109.515 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -61.31 -64.69 0.86 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 124.035 0.835 . . . . 99.99 109.942 -169.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 44.8 25.0 0.12 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.195 1.398 . . . . 99.99 114.311 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 31.6 t -90.45 12.88 17.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.293 1.037 . . . . 99.99 110.748 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.55 76.08 4.09 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.328 1.051 . . . . 99.99 109.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.68 -50.47 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.993 -1.114 . . . . 99.99 107.993 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.407 HG23 ' HD3' ' E' ' 401' ' ' PRO . 23.4 m -115.31 -171.19 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-N 114.132 -1.395 . . . . 99.99 108.1 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.67 50.56 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 108.948 -0.76 . . . . 99.99 108.948 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.407 ' HD3' HG23 ' E' ' 399' ' ' VAL . 86.8 Cg_endo -85.59 149.57 10.05 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.721 2.281 . . . . 99.99 110.72 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.54 120.67 33.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.129 -0.693 . . . . 99.99 109.129 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 1.2 t 65.21 152.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 127.667 2.387 . . . . 99.99 112.813 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.663 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 82.7 tttt -75.75 86.38 2.76 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.131 -1.062 . . . . 99.99 108.131 171.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -74.67 112.18 16.38 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.645 0.778 . . . . 99.99 110.068 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.5 160.0 22.42 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.753 2.302 . . . . 99.99 112.123 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -170.01 107.1 0.26 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 110.914 -0.875 . . . . 99.99 110.914 -176.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 pp -156.16 154.62 31.12 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.222 1.009 . . . . 99.99 109.966 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 63.0 p -96.01 47.35 1.09 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.474 1.11 . . . . 99.99 109.854 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 60.09 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.842 1.257 . . . . 99.99 110.103 -168.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -134.29 -86.27 0.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.678 -1.231 . . . . 99.99 107.678 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.11 171.68 7.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.359 0.663 . . . . 99.99 110.207 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -63.21 -41.73 99.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.409 0.684 . . . . 99.99 111.297 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.7 m -68.34 -62.62 1.32 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' E' ' 416' ' ' ASP . 17.4 ptmt -174.08 -61.45 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.775 -1.102 . . . . 99.99 109.105 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 416' ' ' ASP . . . . . 0.461 ' H ' ' HG3' ' E' ' 415' ' ' LYS . 32.8 t70 -126.71 -26.4 3.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.322 1.049 . . . . 99.99 111.084 -173.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 67.6 -117.2 8.57 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 118.866 -0.963 . . . . 99.99 111.999 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 73.1 -63.68 0.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 125.539 1.536 . . . . 99.99 112.438 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 21.3 t 60.24 65.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.64 1.176 . . . . 99.99 108.971 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 62.3 mtt -71.73 104.79 3.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.451 -1.25 . . . . 99.99 110.414 -173.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.451 ' H ' ' HG2' ' E' ' 118' ' ' PRO . 60.8 t 68.76 -96.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 125.35 1.46 . . . . 99.99 110.332 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.1 mmt 48.44 35.67 6.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.183 0.993 . . . . 99.99 112.441 -176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 16.0 m -74.73 85.38 2.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.897 0.879 . . . . 99.99 110.873 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -125.09 109.63 13.15 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 93.84 96.15 1.55 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 111.499 -0.64 . . . . 99.99 111.499 -173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -166.4 14.91 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.438 0.695 . . . . 99.99 112.448 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 36.4 t -158.42 35.89 0.23 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.0 -0.741 . . . . 99.99 109.0 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.71 90.11 7.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.396 -0.82 . . . . 99.99 111.793 -165.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 4.38 52.76 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.594 1.158 . . . . 99.99 111.553 174.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.52 -11.7 61.04 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.857 0.863 . . . . 99.99 111.343 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 7.8 p -75.28 -48.32 23.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.172 0.989 . . . . 99.99 110.926 167.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -55.44 -56.95 14.21 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.322 1.449 . . . . 99.99 112.436 -165.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 29.57 -80.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.833 2.053 . . . . 99.99 116.385 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -105.86 27.41 8.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.078 0.951 . . . . 99.99 112.182 -161.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.9 t -64.25 -25.95 68.29 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.584 0.353 . . . . 99.99 111.398 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -158.99 165.0 34.03 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.684 -0.566 . . . . 99.99 111.684 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 15.4 t -159.62 28.07 0.19 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.231 0.613 . . . . 99.99 109.777 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 74.99 -60.26 0.52 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.934 1.694 . . . . 99.99 111.693 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.5 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.279 1.431 . . . . 99.99 111.126 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 57.72 79.5 0.2 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.284 1.034 . . . . 99.99 110.633 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 441' ' ' ILE . . . . . 0.464 HD13 ' HD1' ' E' ' 444' ' ' TYR . 18.8 tt -118.26 -35.72 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.284 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 65.24 -73.22 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.492 1.517 . . . . 99.99 111.77 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -70.87 97.35 1.39 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.245 0.618 . . . . 99.99 109.383 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 444' ' ' TYR . . . . . 0.464 ' HD1' HD13 ' E' ' 441' ' ' ILE . 52.9 t80 -130.31 -78.82 0.54 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.346 -0.983 . . . . 99.99 108.346 176.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 31.73 -146.16 0.01 OUTLIER Glycine 0 C--N 1.37 2.42 0 N-CA-C 116.062 1.185 . . . . 99.99 116.062 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 446' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' E' ' 289' ' ' ARG . 87.9 Cg_endo -87.06 161.84 8.7 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.984 2.456 . . . . 99.99 111.915 171.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -117.45 -19.22 9.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.924 0.89 . . . . 99.99 110.217 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -154.01 152.32 30.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.523 0.729 . . . . 99.99 110.504 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -117.62 128.32 54.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.234 1.014 . . . . 99.99 109.094 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.32 135.79 44.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.371 0.668 . . . . 99.99 111.153 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.458 HG12 ' N ' ' E' ' 452' ' ' VAL . 53.2 t -122.56 172.83 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.116 1.367 . . . . 99.99 107.991 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 89' ' ' ILE . 61.0 t -46.88 96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 124.819 1.247 . . . . 99.99 111.23 170.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.407 ' N ' HD12 ' E' ' 454' ' ' LEU . . . -160.06 49.43 0.38 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.292 -1.923 . . . . 99.99 108.292 175.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 101' ' ' TYR . 4.9 mp -76.75 130.09 37.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 113.935 -1.132 . . . . 99.99 110.296 -165.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 9.0 m -62.58 142.95 57.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.199 1.0 . . . . 99.99 110.789 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 456' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 134' ' ' ASP . 3.2 p30 -149.71 -42.39 0.14 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.102 0.561 . . . . 99.99 110.493 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.5 92.62 4.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.468 0.707 . . . . 99.99 110.015 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.476 HG21 HD21 ' A' ' 132' ' ' ASN . 23.1 p -139.09 -53.85 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.211 0.604 . . . . 99.99 111.981 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 33.6 t70 77.35 128.4 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.517 1.527 . . . . 99.99 110.63 -175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.565 HD13 ' N ' ' E' ' 461' ' ' PHE . 1.0 OUTLIER -173.02 -171.26 0.72 Allowed 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -166.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.565 ' N ' HD13 ' E' ' 460' ' ' LEU . 96.8 m-85 85.16 -81.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.204 1.802 . . . . 99.99 110.768 166.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.38 -4.86 57.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.2 0.6 . . . . 99.99 109.763 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 18.9 m -76.76 -33.72 58.07 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.592 1.157 . . . . 99.99 110.72 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -88.48 135.09 33.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.178 0.591 . . . . 99.99 109.505 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -119.89 -44.4 2.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.277 0.631 . . . . 99.99 110.405 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.31 1.63 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.369 0.668 . . . . 99.99 110.786 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -96.95 95.71 8.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.435 -0.802 . . . . 99.99 109.573 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 128' ' ' LEU . 3.9 mm? 60.54 -152.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.968 0.907 . . . . 99.99 110.934 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 469' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' E' ' 468' ' ' LEU . . . -158.44 -101.22 0.17 Allowed Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.148 -0.781 . . . . 99.99 111.148 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.477 HD22 ' HE1' ' A' ' 36' ' ' TRP . 95.6 mt 63.62 24.27 13.88 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.329 1.052 . . . . 99.99 111.114 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 471' ' ' LYS . . . . . 0.525 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 62.2 mttm . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.077 1.351 . . . . 99.99 109.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.559 0.219 . . . . 99.99 111.177 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -90.9 9.83 28.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.946 0.898 . . . . 99.99 112.166 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' C' ' 145' ' ' ALA . 2.1 mp0 -110.94 -37.88 5.26 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.225 0.61 . . . . 99.99 109.598 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.659 ' NE2' ' HB2' ' A' ' 3' ' ' GLU . 1.8 mp0 -92.12 29.17 1.69 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.579 0.752 . . . . 99.99 110.97 178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 68.8 2.97 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.753 0.821 . . . . 99.99 111.156 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 50.37 15.41 0.2 Allowed 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 125.953 1.701 . . . . 99.99 113.807 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m 56.21 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.141 1.377 . . . . 99.99 110.211 -162.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 59.56 -75.52 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 125.638 1.575 . . . . 99.99 112.42 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 89' ' ' ILE . 21.5 ptt? -59.5 135.26 57.61 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.269 1.028 . . . . 99.99 111.411 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -155.14 126.92 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.433 0.693 . . . . 99.99 110.597 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' HD1' HD13 ' A' ' 86' ' ' ILE . 46.0 t80 -102.7 124.28 47.94 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -144.7 114.68 7.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 87.02 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 27.8 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 83' ' ' ILE . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 12.57 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 37.56 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 5.43 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 6.92 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 5.61 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 12.68 109.158 171.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 32.78 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.589 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 57.34 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 48.36 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 97.85 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 98' ' ' LEU . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 43.33 108.95 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 41.53 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 88.8 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 73.87 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' E' ' 454' ' ' LEU . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.04 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 54.22 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 29.36 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 19.86 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.621 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 13.6 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 17.22 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 14.92 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 21.43 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 23.61 106.928 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.62 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 57.75 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 93.1 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 30.12 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 22.88 110.56 177.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 30.01 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 14.44 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.544 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 9.47 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.621 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 20.02 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' A' ' 17' ' ' TYR . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 66.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -92.42 122.02 34.47 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 11' ' ' PHE . 9.3 tp -129.89 159.34 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.174 0.59 . . . . 99.99 110.736 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.91 160.14 27.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.555 0.742 . . . . 99.99 111.578 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.78 -35.79 4.61 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 116.01 1.164 . . . . 99.99 116.01 158.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' SD ' ' A' ' 9' ' ' MET . 8.7 mm -126.1 162.72 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-N 118.645 1.222 . . . . 99.99 109.65 -175.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -162.89 -153.84 0.27 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.181 0.993 . . . . 99.99 109.298 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.28 -158.62 51.96 Favored Glycine 0 C--N 1.356 1.682 0 C-N-CA 123.551 0.596 . . . . 99.99 114.109 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -69.5 -28.26 65.9 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.853 0.861 . . . . 99.99 112.596 -171.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HG2' HD11 ' A' ' 141' ' ' LEU . 43.8 mt-30 -61.21 -59.13 5.79 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.912 0.863 . . . . 99.99 109.824 176.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.8 -12.83 57.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.768 -1.56 . . . . 99.99 112.041 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.65 -29.86 64.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.485 0.659 . . . . 99.99 110.989 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -84.87 -20.3 31.02 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 118.042 -0.98 . . . . 99.99 112.753 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 10.0 t -50.74 -42.05 57.04 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.414 0.686 . . . . 99.99 112.661 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 46' ' ' THR . 68.8 mt -64.84 -28.7 69.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.188 0.595 . . . . 99.99 111.774 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.593 ' HA ' ' HB2' ' A' ' 133' ' ' PHE . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 95.56 111.825 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 94.48 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 73.2 112.563 -176.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 48.9 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 94.19 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 55.88 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD21 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 21.71 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 15.39 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 9.95 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 20.66 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 7.34 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 15.45 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 4.41 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 7.34 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.48 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 7.28 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 4.96 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 48.88 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 26.6 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 17.97 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 8.38 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 20.1 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 13.71 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 20.05 114.634 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 64' ' ' VAL . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 56.76 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' E' ' 468' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 62.97 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.587 ' H ' HD22 ' E' ' 468' ' ' LEU . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 56.46 111.632 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.567 ' HG3' ' HB2' ' E' ' 136' ' ' LYS . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 77.42 112.908 -169.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.541 HG13 ' HB ' ' E' ' 463' ' ' THR . 20.1 t -131.83 107.09 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -109.52 99.05 8.32 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.593 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 98.2 m-85 -73.79 -25.41 60.12 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.542 0.337 . . . . 99.99 111.223 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.51 -51.83 65.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.561 1.144 . . . . 99.99 112.349 -171.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.07 87.02 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.583 0.753 . . . . 99.99 111.946 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.49 -30.69 71.49 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.066 0.946 . . . . 99.99 111.085 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -89.13 -39.29 13.7 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 111.973 0.36 . . . . 99.99 111.973 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.546 ' SD ' HD23 ' A' ' 141' ' ' LEU . 11.8 mmt -61.37 -31.69 71.58 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.236 0.614 . . . . 99.99 112.548 -171.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -58.35 -27.64 64.37 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 124.011 0.82 . . . . 99.99 111.897 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -92.65 -52.94 4.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.272 1.029 . . . . 99.99 110.583 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 93' ' ' GLN . 45.2 tp -43.44 -48.17 7.14 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.123 1.369 . . . . 99.99 114.281 -160.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -148.1 32.0 0.84 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.464 -0.939 . . . . 99.99 108.464 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 77.48 -60.16 0.45 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.835 1.654 . . . . 99.99 110.173 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.98 -86.07 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.052 1.341 . . . . 99.99 109.36 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.99 86.34 0.09 Allowed 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.483 1.113 . . . . 99.99 110.214 -175.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.35 163.97 30.23 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 115.816 -0.629 . . . . 99.99 112.445 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.14 139.56 58.78 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.735 0.814 . . . . 99.99 112.676 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.28 82.27 0.05 OUTLIER Glycine 0 C--N 1.335 0.488 0 N-CA-C 108.269 -1.932 . . . . 99.99 108.269 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 68.8 p 59.16 26.22 14.92 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.687 1.595 . . . . 99.99 112.507 -170.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -78.18 -54.57 6.09 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.415 -0.957 . . . . 99.99 108.415 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 59.93 112.5 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.561 1.544 . . . . 99.99 112.56 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.95 130.33 21.06 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.998 0.919 . . . . 99.99 111.078 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -161.41 132.68 5.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.51 1.124 . . . . 99.99 108.671 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.31 128.77 33.93 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 C-N-CA 124.03 0.932 . . . . 99.99 108.84 -176.713 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.257 -0.275 . . . . 99.99 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -80.73 77.27 7.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.197 0.599 . . . . 99.99 109.765 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' E' ' 31' ' ' ASN . 51.5 mt-10 67.14 144.56 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.409 1.484 . . . . 99.99 111.459 -168.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' B' ' 8' ' ' GLU . 72.2 mt-30 60.16 -166.11 0.2 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.96 0.904 . . . . 99.99 111.993 171.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p30 41.33 88.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 126.118 1.767 . . . . 99.99 114.594 174.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 80.28 -43.39 0.24 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.896 1.279 . . . . 99.99 112.765 169.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -88.92 37.14 0.83 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.135 0.974 . . . . 99.99 110.65 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' B' ' 4' ' ' GLN . 78.4 mt-10 -86.76 66.87 9.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.395 1.078 . . . . 99.99 108.963 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.63 ' SD ' HG13 ' B' ' 89' ' ' ILE . 7.2 tpt 66.42 168.09 0.22 Allowed 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 114.183 -1.371 . . . . 99.99 112.284 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.5 t -147.63 144.79 28.65 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.302 1.041 . . . . 99.99 108.449 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.552 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 -143.55 115.92 8.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 93.55 109.496 -174.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.452 HD12 ' H ' ' B' ' 13' ' ' ILE . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 40.88 107.17 173.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 85.25 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.471 HH22 ' HB ' ' E' ' 129' ' ' THR . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 95.33 110.333 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 106' ' ' LEU . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 13.6 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 23.1 111.687 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.674 HG21 HD11 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 6.51 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 19.94 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.674 HD11 HG21 ' B' ' 18' ' ' THR . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 5.14 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 19.25 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 9.84 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 18.09 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 49.39 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 98.87 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 72.1 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.454 HD21 ' H ' ' E' ' 7' ' ' ALA . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 96.73 110.602 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 67.27 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 66.97 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 35.64 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 74.75 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 43.74 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 89.61 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 85.91 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 76.71 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 98.07 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.566 HG21 HD23 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 57.34 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 21.57 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 62.33 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 95.32 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 14.84 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 28.15 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 18.14 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 24.35 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 26.44 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 56.64 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 62.67 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 81.37 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 33.32 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 25.99 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 18.76 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 16.93 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 12.76 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 8.91 109.839 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 33.15 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 11.78 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 39.34 107.484 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.712 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 63.88 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 82.93 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 98.2 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.63 HG13 ' SD ' ' B' ' 9' ' ' MET . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.562 ' SD ' ' O ' ' E' ' 20' ' ' LYS . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' B' ' 137' ' ' PHE . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' B' ' 98' ' ' LEU . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.566 HD23 HG21 ' B' ' 58' ' ' VAL . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 71.23 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 59.87 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 71.19 111.735 -174.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.552 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 50.37 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 36.29 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 100' ' ' ALA . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 87.59 112.044 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 37.19 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.472 HD22 HG23 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 13.07 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 10.37 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' TYR . . . . . 0.532 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 12.29 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 8.75 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 59.14 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 13.3 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 9.86 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' THR . . . . . 0.472 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 13.13 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.02 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.527 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 26.78 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 13.3 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 29.79 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 23.15 111.287 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 23.84 109.489 172.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 29.89 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.472 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 72.13 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 73.04 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 90.81 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.573 ' HB1' HG22 ' E' ' 306' ' ' VAL . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 43.15 111.898 -176.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 61.27 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.49 HG11 ' H ' ' E' ' 8' ' ' LEU . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.57 109.574 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -111.62 77.3 1.03 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -74.96 -4.39 37.91 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.586 -0.733 . . . . 99.99 110.942 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.459 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 32.9 t70 -46.86 -51.6 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.705 1.202 . . . . 99.99 110.912 173.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.37 -30.6 60.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.578 1.151 . . . . 99.99 113.121 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 65.9 tp -60.78 -47.57 85.71 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.112 0.965 . . . . 99.99 111.32 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.447 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 68.3 m-85 -94.12 -14.93 25.18 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.188 0.595 . . . . 99.99 111.853 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -31.26 68.47 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.461 0.705 . . . . 99.99 110.777 -172.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.13 -10.48 59.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.009 0.523 . . . . 99.99 111.797 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -79.28 -25.03 42.54 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.542 0.737 . . . . 99.99 110.426 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.2 mt -104.94 4.65 32.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.701 0.8 . . . . 99.99 112.605 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' GLN . . . . . 0.64 HE21 ' HA ' ' B' ' 142' ' ' GLN . 0.0 OUTLIER -81.56 78.57 8.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.061 0.544 . . . . 99.99 110.472 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -126.68 -94.46 0.46 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 122.625 0.37 . . . . 99.99 110.637 -172.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.06 88.88 3.12 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.221 -0.659 . . . . 99.99 109.221 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.37 45.1 1.22 Allowed 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.421 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 56.59 39.76 86.08 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 115.429 -0.805 . . . . 99.99 113.24 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 44.34 17.19 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 126.37 1.868 . . . . 99.99 114.8 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' GLY . . . . . 0.739 ' HA3' ' HB2' ' E' ' 44' ' ' ALA . . . 63.26 53.14 41.79 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.08 -0.408 . . . . 99.99 112.08 -169.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 24.7 m -141.34 91.63 2.4 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.308 -1.367 . . . . 99.99 107.308 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -80.69 -66.88 0.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 50.16 -82.51 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.034 1.733 . . . . 99.99 113.729 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -87.88 1.97 52.66 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.334 0.653 . . . . 99.99 111.675 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.47 90.8 3.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -111.14 151.66 27.9 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.861 0.864 . . . . 99.99 109.434 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 99.99 108.74 179.541 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.523 ' HG2' ' H ' ' C' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 119.237 -0.411 . . . . 99.99 110.024 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' C' ' 1' ' ' MET . 5.5 m -110.34 97.98 7.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.315 -1.365 . . . . 99.99 107.315 174.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' C' ' 151' ' ' GLU . 0.7 OUTLIER -85.6 102.61 13.7 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.584 0.754 . . . . 99.99 110.426 -174.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 70.36 142.4 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.557 1.543 . . . . 99.99 112.414 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.11 -34.1 72.68 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.517 0.727 . . . . 99.99 112.031 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 54.84 -168.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.62 0.768 . . . . 99.99 112.433 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 39.9 p -119.15 -54.79 2.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.793 -0.818 . . . . 99.99 108.793 170.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -169.2 -42.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.068 1.347 . . . . 99.99 108.914 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 45.3 ttm 63.87 111.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.063 1.745 . . . . 99.99 112.122 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 56.3 m -132.56 97.97 4.22 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.688 0.795 . . . . 99.99 109.896 168.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.412 ' HB2' HG22 ' C' ' 86' ' ' ILE . 28.7 p90 -126.7 148.78 49.83 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 170.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 56.3 108.372 172.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 93.16 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 11.74 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' THR . . . . . 0.476 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 6.91 109.673 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 21.95 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 5.12 106.14 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 9.28 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 8.82 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 12.04 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 30.41 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.581 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 48.75 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.555 HG21 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 55.24 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.463 ' HD3' HD21 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 88.6 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.503 ' HA ' ' HD2' ' E' ' 297' ' ' TYR . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' GLN . . . . . 0.587 ' HA ' ' HE3' ' E' ' 294' ' ' LYS . 93.6 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 68.93 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 87.15 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' E' ' 288' ' ' VAL . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 94.05 109.742 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.758 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.473 ' H ' ' HA3' ' E' ' 436' ' ' GLY . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 71.87 107.627 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' THR . . . . . 0.53 HG21 ' HB3' ' E' ' 282' ' ' ALA . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 62.96 110.328 -176.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 35.73 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 56.22 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 43.42 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.644 HD11 HD12 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 94.06 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' E' ' 274' ' ' GLN . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.544 ' HA ' ' HG3' ' E' ' 276' ' ' PRO . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 81.86 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.402 ' HB2' HD11 ' C' ' 51' ' ' LEU . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 29.6 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 20.9 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 69.19 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 14.53 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.758 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.42 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 17.7 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 29.53 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 32.22 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 59.66 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.486 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 97.29 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 76.35 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 37.0 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 34.06 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 39.96 111.953 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 16.54 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.424 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 9.25 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.794 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 46.7 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 25.23 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 10.6 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.644 HD12 HD11 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 30.38 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.412 HG22 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp -114.42 138.42 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.73 143.08 20.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.004 0.922 . . . . 99.99 109.275 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.96 24.58 68.61 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 115.671 1.029 . . . . 99.99 115.671 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.418 ' O ' HD12 ' C' ' 89' ' ' ILE . 2.6 pp -82.54 126.09 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 117.654 0.727 . . . . 99.99 109.884 175.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.9 148.74 31.15 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 122.035 -0.416 . . . . 99.99 110.439 -165.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.09 -153.95 26.0 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.753 -0.658 . . . . 99.99 112.795 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -65.42 -19.52 65.98 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.163 0.585 . . . . 99.99 110.557 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' C' ' 96' ' ' HIS . 1.7 mp0 -60.73 -27.96 68.32 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.062 1.345 . . . . 99.99 111.469 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -59.03 4.45 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.774 0.83 . . . . 99.99 109.925 176.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.41 56.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.71 0.804 . . . . 99.99 111.811 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.668 ' HB3' ' HA ' ' C' ' 93' ' ' GLN . 79.2 t60 -67.37 -39.26 85.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.643 0.777 . . . . 99.99 111.749 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p -82.91 -44.62 15.16 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 68.51 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 134' ' ' ASP . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 56.52 111.296 -175.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 56.59 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.567 ' HB3' HD22 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 39.21 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 8.71 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 37.06 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 16.74 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 9.85 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.48 ' HE2' HG21 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 5.88 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 7.64 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 20.64 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' C' ' 18' ' ' THR . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 13.9 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.495 HG21 HG21 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 8.58 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 8.54 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 6.56 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.741 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 5.22 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 28.53 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 17.6 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 15.17 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 24.81 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.467 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 29.42 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.54 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.459 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 59.85 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 41.85 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.592 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 38.57 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 24.62 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 24.48 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 68.05 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.67 -21.24 63.54 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.415 ' HB2' ' HB1' ' C' ' 100' ' ' ALA . 33.7 t70 -69.38 -23.14 63.7 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.424 0.527 . . . . 99.99 112.424 -176.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.5 80.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.269 0.627 . . . . 99.99 111.885 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 pp -72.73 -27.34 61.99 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 116.032 -0.531 . . . . 99.99 110.879 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -80.02 -41.83 25.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.14 0.576 . . . . 99.99 110.893 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 27.6 ttt -78.23 -32.82 49.97 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.979 0.911 . . . . 99.99 112.906 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.51 -32.73 74.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -25.08 -77.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.942 2.097 . . . . 99.99 113.397 -165.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.94 79.24 1.89 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 105.115 -2.179 . . . . 99.99 105.115 175.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -72.01 -19.44 61.86 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 115.411 -0.813 . . . . 99.99 111.045 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -68.01 132.65 47.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.538 0.735 . . . . 99.99 110.763 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 62.52 36.32 14.02 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 124.17 0.988 . . . . 99.99 110.618 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.681 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . . . -71.87 91.36 1.17 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.974 -0.557 . . . . 99.99 109.653 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.27 -54.46 6.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.0 -1.0 . . . . 99.99 113.44 -172.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -88.36 71.91 9.0 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.145 0.578 . . . . 99.99 110.435 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 52.3 -85.3 0.01 OUTLIER Glycine 0 C--N 1.354 1.548 0 CA-C-N 114.349 -1.296 . . . . 99.99 116.156 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 34.9 m 69.73 101.39 0.06 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.157 1.783 . . . . 99.99 111.854 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.91 74.59 0.43 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.398 1.479 . . . . 99.99 113.379 172.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' C' ' 3' ' ' GLU . 25.4 mt-10 40.9 71.74 0.18 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.016 1.726 . . . . 99.99 112.994 178.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -139.8 135.6 33.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.085 -0.962 . . . . 99.99 109.369 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -142.17 -62.77 0.44 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.45 -1.315 . . . . 99.99 107.45 175.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.15 105.2 1.51 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.011 -1.477 . . . . 99.99 107.011 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.481 0 O-C-N 124.569 1.168 . . . . 99.99 109.094 -160.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.475 ' SD ' ' N ' ' D' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t 57.91 62.87 1.94 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.39 1.076 . . . . 99.99 110.572 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.4 -43.38 90.8 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.606 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -134.2 174.92 9.98 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.388 173.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -132.99 -157.78 0.84 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.494 1.118 . . . . 99.99 108.623 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.92 -19.18 64.92 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.33 0.652 . . . . 99.99 111.767 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.7 m -75.66 85.83 2.7 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.459 -0.941 . . . . 99.99 108.459 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -92.99 147.81 22.52 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.845 -1.07 . . . . 99.99 109.6 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.614 ' SD ' HG23 ' D' ' 89' ' ' ILE . 9.4 tpt -33.31 124.68 0.4 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.895 1.278 . . . . 99.99 112.64 168.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -116.69 119.88 36.88 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.116 1.366 . . . . 99.99 107.596 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 76.43 108.557 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 79.46 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ARG . . . . . 0.472 HH22 ' HB3' ' E' ' 302' ' ' ASP . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.528 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 53.22 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.581 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 19.87 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 8.43 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.536 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 36.9 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.741 HG21 ' HE2' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 4.02 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 7.64 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 5.08 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 7.19 107.727 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 13.41 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 12.01 113.852 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 20.55 113.12 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 22.26 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' D' ' 73' ' ' ALA . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 34.6 113.399 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' E' ' 263' ' ' ALA . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 31.63 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 49.29 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.427 ' O ' HG12 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 31.29 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.453 HG13 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 52.79 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.445 ' NZ ' HG12 ' E' ' 121' ' ' VAL . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 74.77 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.718 ' HB3' HG13 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 66.01 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' E' ' 108' ' ' HIS . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 77.52 108.926 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' E' ' 106' ' ' TYR . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 38.8 108.731 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.422 ' HB3' HG23 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 48.36 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 52.73 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' GLN . . . . . 0.519 ' OE1' HD23 ' E' ' 100' ' ' LEU . 9.3 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.71 109.251 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 82.32 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 96.95 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.743 ' HA ' HD12 ' E' ' 97' ' ' ILE . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 82.8 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.664 ' HB2' HD12 ' E' ' 100' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 44.56 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.657 HG13 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 19.48 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 52.2 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.718 HG13 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 9.25 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.561 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 10.79 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 9.72 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 19.36 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 11.33 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 29.87 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 24.97 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' GLY . . . . . 0.482 ' H ' HD21 ' E' ' 412' ' ' LEU . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 27.84 112.256 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 11.35 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 10.67 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 7.73 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 11.05 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' D' ' 114' ' ' ILE . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 5.05 110.01 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HG3' HG13 ' D' ' 59' ' ' VAL . 33.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 21.68 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.457 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.29 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 43.57 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 77.58 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.49 HG12 HD11 ' E' ' 97' ' ' ILE . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 88.57 109.963 -170.627 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.614 HG23 ' SD ' ' D' ' 9' ' ' MET . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 91' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' E' ' 82' ' ' ALA . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.454 ' HB2' ' HA ' ' E' ' 79' ' ' GLU . 16.8 tp60 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 88.9 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 95.17 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 66.02 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 54.11 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 40.76 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 34.31 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 28.69 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 61.29 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 19.65 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 13.09 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 10.47 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 6.22 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 10.48 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 4.16 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 10.22 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 112' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 113' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.39 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.57 HG12 ' SG ' ' D' ' 76' ' ' CYS . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 5.37 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 7.06 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 6.71 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.461 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 5.08 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 5.65 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 10.21 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.472 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 6.99 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 18.26 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.552 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 20.06 110.926 173.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 16.85 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.453 HD13 HG13 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 14.84 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 76.73 109.565 168.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 20.32 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 28.37 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 32.68 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.498 HG21 HG13 ' E' ' 121' ' ' VAL . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 69.78 110.444 -177.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.427 ' O ' HD13 ' D' ' 136' ' ' LEU . 14.7 t30 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.89 -60.26 3.39 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.68 85.0 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.217 -175.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.441 HD23 HD21 ' E' ' 111' ' ' LEU . 10.7 mp -53.07 -49.64 65.98 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.859 0.864 . . . . 99.99 112.975 -172.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -74.56 -45.25 46.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.359 0.263 . . . . 99.99 111.486 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.7 -22.15 62.49 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.933 0.493 . . . . 99.99 111.859 -175.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -78.75 -24.92 44.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.04 0.936 . . . . 99.99 109.5 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.52 ' HE2' ' HE2' ' E' ' 114' ' ' LYS . 92.1 t80 -84.2 -30.86 25.43 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.861 0.464 . . . . 99.99 111.098 172.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.81 -29.79 70.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.065 0.546 . . . . 99.99 111.796 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.1 4.77 21.83 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.989 0.915 . . . . 99.99 112.096 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.32 94.81 4.5 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.402 1.081 . . . . 99.99 108.966 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -141.6 79.27 1.67 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 171.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.34 40.51 27.55 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.536 -1.211 . . . . 99.99 110.462 -172.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 100.97 -163.59 18.36 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -170.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -86.27 103.73 15.15 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 69.13 60.52 5.14 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.958 0.786 . . . . 99.99 113.078 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 39.5 p 75.2 -44.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.794 2.037 . . . . 99.99 113.901 174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -98.07 -79.31 0.47 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.537 -0.542 . . . . 99.99 109.537 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 177.09 -12.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.697 0.799 . . . . 99.99 111.454 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -136.2 72.16 1.43 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.273 0.629 . . . . 99.99 110.492 -172.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -58.37 4.45 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 175.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.95 91.15 8.2 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.787 -0.819 . . . . 99.99 108.787 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.03 0.932 . . . . 99.99 108.628 179.755 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.11 84.19 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.462 0.705 . . . . 99.99 109.49 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -116.89 142.34 47.06 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.259 1.024 . . . . 99.99 109.001 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 57.4 p -66.52 -45.14 80.47 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.792 0.837 . . . . 99.99 110.034 174.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -64.68 154.07 37.69 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.755 -1.111 . . . . 99.99 110.968 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.452 HG22 HD12 ' B' ' 128' ' ' LEU . 44.8 mm -61.42 112.84 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.082 0.953 . . . . 99.99 111.069 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' B' ' 129' ' ' ALA . . . -161.98 -150.05 0.18 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.053 1.341 . . . . 99.99 108.849 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.49 ' H ' HG11 ' B' ' 131' ' ' VAL . 89.3 mt -119.66 126.99 52.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.712 -0.847 . . . . 99.99 108.712 170.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 53.85 2.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.56 0.744 . . . . 99.99 109.005 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt 58.69 -95.92 0.06 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.195 1.398 . . . . 99.99 109.27 -165.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -174.98 144.25 0.82 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -74.13 20.02 0.42 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.829 2.353 . . . . 99.99 113.553 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 32.1 tp 66.24 -72.19 0.08 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.0 1.72 . . . . 99.99 111.281 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.88 85.87 0.23 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.773 0.829 . . . . 99.99 109.531 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.38 -16.1 60.91 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.792 1.237 . . . . 99.99 111.08 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 17.5 m 59.78 66.68 2.01 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.419 1.088 . . . . 99.99 109.427 -167.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' E' ' 16' ' ' THR . 5.4 Cg_exo -82.39 -148.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 124.486 3.457 . . . . 99.99 112.957 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.516 HG13 HD21 ' B' ' 98' ' ' LEU . 18.6 m -52.45 -52.72 23.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 0 C-N-CA 124.807 1.243 . . . . 99.99 113.589 -175.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -141.64 66.25 1.36 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.473 0.709 . . . . 99.99 109.701 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.562 ' O ' ' SD ' ' B' ' 94' ' ' MET . 0.1 OUTLIER 60.83 -165.74 0.21 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.14 0.976 . . . . 99.99 109.592 -173.713 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.04 60.29 0.85 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.055 -0.72 . . . . 99.99 109.055 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.585 ' HG3' HG23 ' E' ' 23' ' ' THR . 12.4 ptm180 -172.97 -30.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 114.222 -1.353 . . . . 99.99 111.432 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 23' ' ' THR . . . . . 0.585 HG23 ' HG3' ' E' ' 22' ' ' ARG . 27.2 p -121.48 115.88 30.95 Favored Pre-proline 0 N--CA 1.49 1.541 0 CA-C-O 118.49 -0.767 . . . . 99.99 110.861 -170.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.62 120.97 6.47 Favored 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 123.509 2.806 . . . . 99.99 114.237 -171.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 27.65 -88.39 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.388 1.875 . . . . 99.99 113.781 -170.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 3.1 ppp? 162.17 -33.39 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 C-N-CA 127.688 2.395 . . . . 99.99 110.204 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.98 -58.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.78 1.671 . . . . 99.99 111.373 171.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.597 HG13 ' H ' ' E' ' 29' ' ' LEU . 2.4 p -141.71 -92.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 115.645 -0.707 . . . . 99.99 110.346 177.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 29' ' ' LEU . . . . . 0.597 ' H ' HG13 ' E' ' 28' ' ' VAL . 16.0 tp 57.79 -67.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.774 1.63 . . . . 99.99 111.323 -164.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 73.56 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.92 1.688 . . . . 99.99 107.482 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 31' ' ' ASN . . . . . 0.503 ' HB3' ' HG3' ' B' ' 3' ' ' GLU . 41.3 m-80 -143.35 -14.75 0.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.506 1.122 . . . . 99.99 109.88 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -81.79 125.33 30.53 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.511 0.724 . . . . 99.99 109.643 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.35 147.45 48.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.002 0.814 . . . . 99.99 110.585 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.19 69.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.863 0.865 . . . . 99.99 112.092 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -74.81 112.33 10.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.32 97.26 Favored Glycine 0 C--N 1.351 1.404 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -157.4 138.46 13.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.014 0.926 . . . . 99.99 109.203 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 tp -149.87 17.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 124.2 1.0 . . . . 99.99 108.697 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 37.7 m 60.12 -83.42 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.933 1.293 . . . . 99.99 109.512 -166.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.96 151.77 0.19 Allowed Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 126.121 1.768 . . . . 99.99 108.828 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.58 99.73 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.109 1.873 . . . . 99.99 111.088 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.18 175.41 5.4 Favored Glycine 0 C--N 1.355 1.609 0 N-CA-C 115.676 1.031 . . . . 99.99 115.676 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 43' ' ' GLY . . . . . 0.62 ' H ' ' HA2' ' B' ' 148' ' ' GLY . . . 129.85 120.67 2.26 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 123.098 0.38 . . . . 99.99 112.65 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 44' ' ' ALA . . . . . 0.739 ' HB2' ' HA3' ' B' ' 148' ' ' GLY . . . -117.77 -68.3 0.93 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.107 0.563 . . . . 99.99 111.26 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 73.86 -41.85 0.5 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.713 1.605 . . . . 99.99 111.3 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -170.68 -59.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.366 1.067 . . . . 99.99 111.087 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.543 HD23 ' H ' ' E' ' 47' ' ' LEU . 2.5 pt? -120.59 -25.0 5.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.821 0.674 . . . . 99.99 112.821 -167.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 48' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' E' ' 44' ' ' ALA . 50.6 m 63.14 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.165 0.986 . . . . 99.99 110.931 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.9 35.25 1.51 Allowed Glycine 0 C--N 1.348 1.196 0 N-CA-C 110.843 -0.903 . . . . 99.99 110.843 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.47 76.26 10.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.628 -1.249 . . . . 99.99 107.628 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 51' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' E' ' 61' ' ' ASP . 0.0 OUTLIER -93.27 -68.48 0.8 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.846 0.684 . . . . 99.99 112.846 -169.467 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -93.07 -67.19 0.87 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.04 0.385 . . . . 99.99 112.04 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.51 -58.13 2.29 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.974 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.02 176.37 2.14 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.884 0.74 . . . . 99.99 111.303 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.59 80.19 1.08 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.691 1.196 . . . . 99.99 111.198 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.14 -164.37 1.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.761 1.224 . . . . 99.99 108.967 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.4 -60.46 3.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 162.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 44.2 t 44.55 -80.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 125.005 1.322 . . . . 99.99 114.34 164.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 59' ' ' LEU . . . . . 0.436 HD21 ' HA2' ' E' ' 208' ' ' GLY . 63.6 tp -168.22 157.38 9.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.131 1.373 . . . . 99.99 108.907 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -82.93 -69.65 0.61 Allowed 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 173.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 61' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' E' ' 51' ' ' GLN . 31.0 t70 58.05 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 125.884 1.674 . . . . 99.99 113.097 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -60.22 116.73 18.84 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 124.47 1.108 . . . . 99.99 111.16 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.35 -20.28 24.4 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 122.832 2.355 . . . . 99.99 112.783 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.75 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.434 1.494 . . . . 99.99 111.079 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -168.71 173.06 7.49 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.873 1.269 . . . . 99.99 107.864 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 66' ' ' ASN . . . . . 0.563 HD22 HG22 ' E' ' 67' ' ' ILE . 0.5 OUTLIER -75.82 140.54 42.34 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 170.323 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.563 HG22 HD22 ' E' ' 66' ' ' ASN . 16.4 tt 42.16 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 C-N-CA 126.446 1.898 . . . . 99.99 114.809 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.0 119.19 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.298 -1.371 . . . . 99.99 107.298 167.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.503 HD23 ' HG ' ' E' ' 70' ' ' LEU . 6.8 tt -140.42 98.01 3.34 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.059 -1.46 . . . . 99.99 107.059 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' E' ' 69' ' ' LEU . 43.5 mt 63.48 -166.59 0.22 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 99.99 111.099 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' D' ' 132' ' ' ASN . 76.3 mt 72.61 84.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.32 1.048 . . . . 99.99 110.294 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 72' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' E' ' 44' ' ' ALA . . . -100.4 64.52 0.59 Allowed Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.767 -1.106 . . . . 99.99 112.417 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -86.57 179.7 6.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.843 0.857 . . . . 99.99 111.57 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.35 81.44 0.26 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 109.803 -1.319 . . . . 99.99 109.803 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 178.62 6.93 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.762 0.825 . . . . 99.99 112.851 -174.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.72 128.47 39.79 Favored Glycine 0 C--N 1.363 2.064 0 O-C-N 124.348 1.03 . . . . 99.99 114.371 -173.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -103.64 53.76 0.75 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.012 1.325 . . . . 99.99 111.648 -170.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 46.7 p -65.93 -16.37 63.8 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.115 0.966 . . . . 99.99 112.92 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' D' ' 93' ' ' GLN . 14.5 pt-20 -65.13 -16.53 63.59 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.439 1.096 . . . . 99.99 113.837 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.52 -52.89 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.676 0.79 . . . . 99.99 110.317 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 63.9 m -78.91 100.55 7.28 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.2 -0.909 . . . . 99.99 109.609 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 82' ' ' ALA . . . . . 0.445 ' HA ' ' HA3' ' D' ' 91' ' ' GLY . . . -108.81 67.69 0.66 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.66 90.99 1.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.492 -0.776 . . . . 99.99 110.314 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -167.69 106.78 0.54 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.927 0.891 . . . . 99.99 109.652 170.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -158.64 130.25 6.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.295 1.038 . . . . 99.99 108.465 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -138.77 169.56 17.57 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.339 0.655 . . . . 99.99 110.228 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 125.11 22.74 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.885 0.874 . . . . 99.99 111.399 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 88' ' ' GLU . . . . . 0.416 ' HG3' ' HD3' ' E' ' 95' ' ' LYS . 1.2 pm0 -86.57 -173.73 4.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.276 1.03 . . . . 99.99 111.444 -175.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.75 -89.77 0.09 OUTLIER Glycine 0 C--N 1.355 1.601 0 CA-C-O 120.066 -0.297 . . . . 99.99 113.625 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.41 111.75 5.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.745 0.818 . . . . 99.99 111.761 -172.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.47 45.83 1.26 Allowed Glycine 0 C--N 1.353 1.526 0 O-C-N 123.338 0.399 . . . . 99.99 113.898 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.7 -26.73 73.57 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.902 -0.479 . . . . 99.99 111.902 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.23 -160.19 0.78 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.599 1.16 . . . . 99.99 109.158 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.29 163.79 12.31 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.955 0.902 . . . . 99.99 110.078 172.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 95' ' ' LYS . . . . . 0.416 ' HD3' ' HG3' ' E' ' 88' ' ' GLU . 0.0 OUTLIER -133.76 121.47 21.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.113 0.565 . . . . 99.99 110.463 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.93 22.68 0.02 OUTLIER Glycine 0 C--N 1.347 1.185 0 CA-C-N 116.018 -0.537 . . . . 99.99 113.045 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' D' ' 54' ' ' ASP . 30.1 mt -124.99 144.2 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.89 0.876 . . . . 99.99 109.935 174.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -118.72 104.67 10.82 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.911 -1.144 . . . . 99.99 107.911 162.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 72.9 121.68 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.238 1.415 . . . . 99.99 112.988 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.68 HD21 ' H ' ' D' ' 54' ' ' ASP . 4.0 mm? -83.38 163.15 51.29 Favored Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.378 1.071 . . . . 99.99 108.662 171.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.09 73.66 5.65 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 122.729 2.286 . . . . 99.99 112.786 -171.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' D' ' 50' ' ' GLN . 3.4 mm? -123.2 35.91 4.76 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.556 -1.202 . . . . 99.99 108.735 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -57.79 92.95 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.873 1.269 . . . . 99.99 111.982 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.16 -137.02 8.49 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.767 -1.333 . . . . 99.99 109.767 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -99.72 -42.3 6.92 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.389 0.676 . . . . 99.99 110.09 171.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 106' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' D' ' 47' ' ' ALA . 8.6 t80 -156.28 138.86 15.01 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 -176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' E' ' 102' ' ' LEU . 3.8 m -84.15 27.33 0.68 Allowed 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.297 0.57 . . . . 99.99 111.573 -173.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 108' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' D' ' 46' ' ' THR . 81.4 t60 -89.63 96.05 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.74 -0.6 . . . . 99.99 109.736 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.429 ' HB2' ' H ' ' E' ' 110' ' ' ALA . 24.0 m-85 -125.02 -91.61 0.53 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 110' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' E' ' 109' ' ' TYR . . . -171.81 -165.86 0.39 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.121 1.368 . . . . 99.99 108.129 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.441 HD21 HD23 ' D' ' 136' ' ' LEU . 14.0 tp -142.55 141.52 32.05 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.7 -0.481 . . . . 99.99 109.7 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 67.12 150.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.372 1.469 . . . . 99.99 112.911 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -67.27 86.07 0.16 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.92 0.888 . . . . 99.99 109.253 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 114' ' ' LYS . . . . . 0.52 ' HE2' ' HE2' ' D' ' 140' ' ' TYR . 51.4 pttt -63.77 104.45 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.445 -1.252 . . . . 99.99 110.421 -178.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -139.65 -49.94 0.49 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.484 0.713 . . . . 99.99 109.522 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.4 -112.52 0.58 Allowed Glycine 0 C--N 1.343 0.918 0 N-CA-C 111.177 -0.769 . . . . 99.99 111.177 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.48 121.5 71.1 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 108.589 -0.893 . . . . 99.99 108.589 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -73.64 65.02 4.76 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.967 2.444 . . . . 99.99 110.738 168.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -73.02 93.42 1.76 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.095 0.958 . . . . 99.99 108.92 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 17.9 t80 170.4 -42.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.16 1.784 . . . . 99.99 106.724 -170.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.498 HG13 HG21 ' D' ' 131' ' ' VAL . 16.2 t -124.1 87.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 114.276 -1.329 . . . . 99.99 107.583 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -162.45 27.36 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 122.03 0.919 . . . . 99.99 110.186 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.73 -148.56 0.26 Allowed 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 125.411 1.484 . . . . 99.99 111.39 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 27.4 m 71.27 -166.83 0.15 Allowed 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 125.076 1.35 . . . . 99.99 113.014 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 72.47 78.43 0.15 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.424 1.49 . . . . 99.99 110.225 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -139.73 38.18 2.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.963 -1.017 . . . . 96.83 109.524 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 11.0 p -153.13 146.01 24.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.41 0.684 . . . . 99.99 110.388 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 128' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' D' ' 124' ' ' PRO . . . -159.13 -171.81 3.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.266 0.626 . . . . 74.48 111.624 -171.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 129' ' ' THR . . . . . 0.471 ' HB ' HH22 ' B' ' 15' ' ' ARG . 14.9 m 71.99 88.27 0.1 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.661 1.585 . . . . 99.99 111.628 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -173.2 112.28 0.21 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.77 0.828 . . . . 99.99 110.184 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -152.77 168.02 27.08 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.797 0.839 . . . . 99.99 108.808 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 74.7 m -84.66 137.77 33.06 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.936 -0.478 . . . . 99.99 112.153 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.532 HG21 HD12 ' A' ' 126' ' ' LEU . 22.2 p -76.33 -80.95 0.09 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 124.179 0.992 . . . . 99.99 111.509 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.47 2.22 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 119.494 -0.615 . . . . 89.58 111.799 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.61 158.17 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 117.618 0.709 . . . . 99.99 112.609 -168.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.567 ' HB2' ' HG3' ' A' ' 130' ' ' PRO . 39.2 mttm -139.19 -174.57 3.9 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.651 1.581 . . . . 99.99 108.014 172.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 18.2 m -161.9 -66.2 0.05 Allowed 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.516 1.126 . . . . 99.99 109.091 162.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 63.8 80.89 0.22 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.064 1.746 . . . . 99.99 111.12 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -159.26 158.72 33.07 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.197 0.999 . . . . 99.99 109.693 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' C' ' 96' ' ' HIS . . . -168.43 -174.68 37.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 120.166 -0.241 . . . . 99.99 113.638 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.29 81.47 0.14 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.915 1.286 . . . . 99.99 111.925 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.54 -46.12 3.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.144 0.578 . . . . 99.99 110.272 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.61 167.9 27.54 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-N 116.306 -0.406 . . . . 99.99 112.959 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -150.91 162.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.946 0.898 . . . . 99.99 108.856 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -72.62 112.03 8.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.279 -0.637 . . . . 99.99 109.279 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.0 pt -96.46 90.51 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-O 121.939 0.876 . . . . 99.99 109.265 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 147' ' ' HIS . . . . . 0.56 ' HB3' ' NH2' ' E' ' 289' ' ' ARG . 40.4 t60 -145.51 159.15 43.53 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.992 -0.549 . . . . 99.99 110.112 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.66 -170.77 0.73 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.966 0.906 . . . . 99.99 111.061 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -138.07 146.98 43.6 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.962 0.505 . . . . 99.99 109.883 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.57 135.02 57.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.406 1.082 . . . . 99.99 110.778 169.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 30.75 74.97 0.41 Allowed Pre-proline 0 N--CA 1.489 1.52 0 C-N-CA 126.285 1.834 . . . . 99.99 114.404 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.63 69.22 2.82 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.123 1.882 . . . . 99.99 110.524 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.6 t -93.13 81.71 4.53 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.951 1.358 . . . . 99.99 111.171 -165.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.484 HG22 HD13 ' E' ' 439' ' ' LEU . 16.4 tt -82.22 -12.22 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 CA-C-N 114.04 -1.436 . . . . 99.99 108.785 164.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.87 -46.86 80.04 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.97 1.308 . . . . 99.99 110.467 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -21.77 60.56 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.911 -0.586 . . . . 99.99 109.669 177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 28.3 ttt -80.37 77.94 7.1 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.258 0.551 . . . . 99.99 110.44 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 57.31 76.19 0.33 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.095 1.358 . . . . 99.99 112.393 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -41.05 75.8 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.287 0.635 . . . . 99.99 110.789 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.21 -51.28 5.86 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.069 -0.715 . . . . 99.99 109.069 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.04 22.96 4.78 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.7 1.2 . . . . 99.99 111.22 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -100.04 100.21 2.16 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.278 -172.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.48 98.31 8.11 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.63 -1.618 . . . . 99.99 106.63 171.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -106.77 58.61 0.63 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.146 0.979 . . . . 99.99 109.443 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 11.9 t -159.31 47.62 0.3 Allowed 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 122.412 1.101 . . . . 99.99 108.308 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -54.61 102.02 0.12 Allowed Glycine 0 C--N 1.359 1.821 0 CA-C-N 113.698 -1.592 . . . . 99.99 114.268 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 76.1 -39.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 126.279 1.832 . . . . 99.99 112.878 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 168' ' ' VAL . . . . . 0.431 ' HA ' ' OE1' ' E' ' 174' ' ' GLN . 10.3 p -63.62 -28.39 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.661 0.785 . . . . 99.99 112.192 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.6 p 49.42 35.85 8.8 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.846 1.258 . . . . 99.99 112.441 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 38.1 m 72.07 96.22 0.07 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.659 1.583 . . . . 99.99 111.78 175.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 74.67 -8.18 1.56 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.607 1.563 . . . . 99.99 114.281 169.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.67 170.73 16.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.181 0.592 . . . . 99.99 112.025 -174.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.7 mp -91.95 134.85 34.42 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.101 -0.954 . . . . 99.99 110.036 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' E' ' 168' ' ' VAL . 2.1 mp0 -87.05 174.85 8.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.992 0.917 . . . . 99.99 109.832 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -76.78 76.31 3.41 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.948 -1.13 . . . . 99.99 107.948 168.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.79 -39.8 79.97 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.426 -1.261 . . . . 99.99 109.74 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 5.5 t 36.28 71.86 0.86 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 126.078 1.751 . . . . 99.99 111.82 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.73 78.25 2.84 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 123.133 2.555 . . . . 99.99 110.773 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.77 18.83 6.33 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.121 0.969 . . . . 99.99 111.122 -172.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -101.14 90.85 4.28 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 123.972 0.909 . . . . 99.99 109.563 -169.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.7 165.86 13.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.103 -0.953 . . . . 99.99 108.632 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.69 132.91 30.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-N 115.919 -0.582 . . . . 99.99 109.602 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.22 140.68 58.9 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.553 -0.906 . . . . 99.99 108.553 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -57.21 -56.24 24.35 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.202 0.939 . . . . 99.99 110.945 -173.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 5.1 t 49.88 33.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 C-N-CA 124.94 1.296 . . . . 99.99 111.051 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 4.0 t -118.93 -47.69 2.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.78 -0.575 . . . . 99.99 110.292 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 38.1 t 66.24 168.02 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.615 1.166 . . . . 99.99 110.916 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.59 125.86 1.82 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.353 0.661 . . . . 99.99 109.349 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 34.8 mttm 56.48 -91.22 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 124.921 1.288 . . . . 99.99 110.977 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 84.5 m 52.9 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.004 1.722 . . . . 99.99 113.119 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -109.29 -49.38 3.12 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.12 0.968 . . . . 99.99 108.529 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 134.34 85.26 0.23 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 109.588 -1.405 . . . . 99.99 109.588 -173.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.99 -26.68 74.03 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 123.47 2.78 . . . . 99.99 113.804 -171.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 33.4 t -154.65 167.5 29.94 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.6 0.76 . . . . 99.99 110.159 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -152.31 -50.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 77.4 p 44.27 -97.19 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.122 1.769 . . . . 99.99 112.451 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 79.8 p 50.18 -76.82 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.386 1.874 . . . . 99.99 113.668 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.525 ' HG3' ' HD2' ' E' ' 199' ' ' LYS . 11.9 pt-20 -73.4 -34.83 65.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.197 0.999 . . . . 99.99 110.631 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.525 ' HD2' ' HG3' ' E' ' 198' ' ' GLU . 13.5 mptt -76.11 99.98 4.83 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.602 -0.888 . . . . 99.99 108.602 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' E' ' 205' ' ' LEU . 35.8 t 60.14 80.26 0.27 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 124.615 1.197 . . . . 99.99 111.358 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.09 3.39 4.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.228 2.619 . . . . 99.99 113.922 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -113.79 21.33 16.41 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 119.351 -0.694 . . . . 99.99 112.958 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.08 83.42 0.1 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.656 1.183 . . . . 99.99 111.447 174.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 59.29 23.64 12.07 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.536 1.134 . . . . 99.99 112.014 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 205' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' E' ' 200' ' ' CYS . 0.9 OUTLIER 42.28 33.36 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 126.714 2.005 . . . . 99.99 112.97 -175.294 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -72.9 -61.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -132.31 -82.26 0.5 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.938 -1.134 . . . . 99.99 107.938 170.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 208' ' ' GLY . . . . . 0.436 ' HA2' HD21 ' E' ' 59' ' ' LEU . . . 56.88 -107.27 0.89 Allowed Glycine 0 C--N 1.347 1.169 0 N-CA-C 112.006 -0.437 . . . . 99.99 112.006 -171.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.83 -11.52 78.12 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 122.836 0.255 . . . . 99.99 113.321 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 210' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' E' ' 210' ' ' LYS . 0.5 OUTLIER -85.34 93.91 8.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.607 0.763 . . . . 99.99 109.292 175.069 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -88.8 -131.43 3.99 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.9 -0.591 . . . . 99.99 112.61 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.2 t 64.3 10.79 5.89 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.074 1.349 . . . . 99.99 111.96 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.421 HD13 ' HD1' ' B' ' 137' ' ' PHE . 52.0 mt 58.85 -82.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 125.47 1.508 . . . . 99.99 110.838 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.8 t -145.24 1.2 0.95 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.98 0.912 . . . . 99.99 110.408 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 215' ' ' GLU . . . . . 0.497 ' HA ' HH22 ' E' ' 221' ' ' ARG . 10.0 mm-40 -80.84 -9.07 59.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.889 1.275 . . . . 99.99 111.871 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -47.79 -28.84 2.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.014 1.326 . . . . 99.99 113.076 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.466 ' HB2' HH21 ' E' ' 221' ' ' ARG . 90.3 mt -52.26 110.12 0.46 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.442 1.097 . . . . 99.99 111.199 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 81.2 mt 65.8 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.278 1.431 . . . . 99.99 109.988 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -177.64 -67.23 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.667 1.187 . . . . 99.99 108.458 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.82 -86.15 0.07 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.685 0.794 . . . . 99.99 109.734 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.497 HH22 ' HA ' ' E' ' 215' ' ' GLU . 8.8 tmm_? 58.28 -70.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.083 1.753 . . . . 99.99 113.278 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 222' ' ' ALA . . . . . 0.486 ' HB2' ' NH1' ' E' ' 221' ' ' ARG . . . -66.24 -50.93 62.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.39 0.676 . . . . 99.99 111.227 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 59.14 -147.41 0.49 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 124.326 1.016 . . . . 99.99 110.145 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.84 124.21 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.03 157.36 31.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.22 1.008 . . . . 99.99 112.162 -175.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 55.32 3.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.314 1.045 . . . . 99.99 110.197 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 163.37 115.27 0.33 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.473 -1.051 . . . . 99.99 110.473 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -172.94 139.02 4.98 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.729 -0.548 . . . . 99.99 111.729 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -123.01 -58.16 0.2 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 112.0 -0.44 . . . . 99.99 112.0 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 76.61 -46.08 0.51 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.791 1.636 . . . . 99.99 112.567 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -120.06 -64.04 1.3 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.893 0.877 . . . . 99.99 109.007 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 m 61.64 18.48 9.6 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.035 1.334 . . . . 99.99 112.492 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 51.94 28.68 5.37 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 124.356 1.062 . . . . 99.99 112.69 -177.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -83.2 -14.25 53.75 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.481 0.713 . . . . 99.99 111.591 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -164.67 1.16 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.705 1.202 . . . . 99.99 110.34 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 36.6 m 79.07 -32.22 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.631 1.572 . . . . 99.99 112.744 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -53.04 -55.96 19.76 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.188 0.995 . . . . 99.99 111.33 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.645 HG22 ' H ' ' E' ' 239' ' ' ALA . 3.3 m 60.16 -168.57 0.16 Allowed 'General case' 0 CA--C 1.566 1.592 0 O-C-N 124.366 1.041 . . . . 99.99 110.187 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 239' ' ' ALA . . . . . 0.645 ' H ' HG22 ' E' ' 238' ' ' THR . . . -146.64 -48.49 0.19 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 121.697 -0.627 . . . . 99.99 109.903 169.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 76.98 -69.71 2.42 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 72.21 114.46 0.06 Allowed 'General case' 0 C--O 1.244 0.766 0 C-N-CA 125.789 1.635 . . . . 99.99 113.366 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -153.46 93.98 1.75 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.346 -1.297 . . . . 99.99 107.858 166.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.586 ' HG2' ' H ' ' E' ' 245' ' ' LYS . 61.6 tt0 71.92 145.18 0.07 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.961 1.304 . . . . 99.99 112.391 172.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -87.23 -27.99 26.48 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.659 -0.701 . . . . 99.99 111.635 170.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.586 ' H ' ' HG2' ' E' ' 243' ' ' GLN . 57.6 tptt 72.95 -91.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.572 1.549 . . . . 99.99 109.165 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' E' ' 248' ' ' ARG . 68.4 p 49.9 -153.54 0.13 Allowed 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 125.035 1.334 . . . . 99.99 114.06 171.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 20.8 tp -70.79 -9.04 56.6 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.309 1.044 . . . . 99.99 113.352 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.451 ' HD2' ' OG1' ' E' ' 246' ' ' THR . 0.0 OUTLIER -45.01 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.185 1.92 . . . . 99.99 116.185 -172.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.88 -36.34 67.52 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 119.335 0.971 . . . . 99.99 112.17 170.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -47.3 86.35 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.127 0.971 . . . . 99.99 111.026 171.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.18 70.87 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.569 -0.741 . . . . 99.99 111.077 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -42.97 68.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.478 1.111 . . . . 99.99 108.525 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.73 74.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.296 1.038 . . . . 99.99 110.907 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -66.36 -75.36 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.386 -0.824 . . . . 99.99 109.418 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 68.42 32.55 75.63 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.044 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.11 86.54 2.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.461 0.648 . . . . 99.99 110.883 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -84.38 -20.66 31.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.764 -1.107 . . . . 99.99 109.15 167.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 mp -75.16 -22.2 58.26 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.245 1.018 . . . . 99.99 110.976 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.1 133.23 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 108.231 -1.026 . . . . 99.99 108.231 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 88.2 p 54.65 40.7 32.05 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.847 1.259 . . . . 99.99 109.722 -166.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.17 146.35 43.72 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.161 -1.836 . . . . 99.99 112.164 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -79.63 -31.46 41.61 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.561 0.744 . . . . 99.99 111.777 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 263' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' D' ' 33' ' ' GLN . . . -69.31 -28.33 66.17 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.289 0.566 . . . . 99.99 110.778 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 16.4 m -85.39 -39.68 17.32 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.397 -0.819 . . . . 99.99 109.405 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.2 22.77 13.05 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.293 1.437 . . . . 99.99 109.781 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.4 m120 70.3 -52.69 0.65 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.809 1.644 . . . . 99.99 110.858 -166.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.5 t 75.34 175.74 0.23 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.329 1.852 . . . . 99.99 110.917 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.68 124.66 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 123.605 0.762 . . . . 99.99 110.999 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.8 t -104.98 -147.75 0.4 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 108.27 -1.011 . . . . 99.99 108.27 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.54 97.7 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.635 0.774 . . . . 99.99 109.099 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -93.55 2.27 56.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 117.118 -1.42 . . . . 99.99 114.25 -166.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -38.55 -43.35 0.85 Allowed 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 124.824 1.25 . . . . 99.99 113.666 -166.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -82.19 65.61 7.39 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 274' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' C' ' 53' ' ' ASP . 54.7 mt-30 -69.11 -39.72 78.77 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 116.247 -0.433 . . . . 99.99 110.637 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -109.72 124.63 33.17 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.331 -0.395 . . . . 99.99 109.941 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.544 ' HG3' ' HA ' ' C' ' 54' ' ' ASP . 36.4 Cg_endo -88.65 -159.7 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 123.064 2.509 . . . . 99.99 110.262 157.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' E' ' 277' ' ' LEU . 0.3 OUTLIER -53.06 123.03 10.56 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.22 1.008 . . . . 99.99 112.248 168.36 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -163.98 129.13 2.88 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -160.66 -78.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.139 -0.384 . . . . 99.99 112.139 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.14 140.81 29.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.082 0.553 . . . . 99.99 110.026 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.37 -74.64 0.32 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.961 1.304 . . . . 99.99 107.809 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 282' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' C' ' 46' ' ' THR . . . -175.77 105.24 0.08 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.349 1.06 . . . . 99.99 108.863 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.42 -56.36 3.67 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.926 -0.768 . . . . 99.99 108.926 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -160.22 50.22 0.37 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.166 -1.574 . . . . 99.99 109.166 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -89.77 -35.96 15.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 114.236 -0.982 . . . . 99.99 110.859 -170.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' E' ' 286' ' ' MET . 0.6 OUTLIER -78.34 113.91 38.07 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.178 0.991 . . . . 99.99 111.79 -175.357 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -76.58 -10.11 18.65 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 122.911 2.408 . . . . 99.99 111.526 171.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' C' ' 42' ' ' LEU . 91.2 t 70.56 -69.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 126.075 1.75 . . . . 99.99 110.945 -174.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.56 ' NH2' ' HB3' ' E' ' 147' ' ' HIS . 0.0 OUTLIER 64.96 95.98 0.05 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.962 1.305 . . . . 99.99 109.134 -174.488 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.459 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 -79.18 119.44 22.27 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 169.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 90.0 -176.88 42.72 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.82 -59.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.045 2.496 . . . . 99.99 112.862 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' C' ' 37' ' ' GLN . 14.3 ptmm? -166.29 140.83 4.38 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.007 0.923 . . . . 99.99 109.479 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.62 29.29 4.81 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.858 0.863 . . . . 99.99 108.956 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.585 HG22 ' HD1' ' E' ' 297' ' ' TYR . 2.8 m -144.19 145.36 32.04 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.02 -0.991 . . . . 99.99 109.081 -171.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' E' ' 296' ' ' THR . 2.1 m-85 64.02 102.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.727 1.211 . . . . 99.99 110.831 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -149.41 134.63 18.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.453 0.301 . . . . 99.99 110.706 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 82.44 -66.54 3.88 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 123.862 0.726 . . . . 99.99 111.842 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -157.55 168.84 26.14 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.86 -1.163 . . . . 99.99 107.86 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.31 157.19 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 167.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 302' ' ' ASP . . . . . 0.472 ' HB3' HH22 ' D' ' 15' ' ' ARG . 24.2 t70 -56.13 121.42 9.38 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 172.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -63.23 135.88 96.44 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.714 0.805 . . . . 99.99 110.785 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -42.25 114.13 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.101 2.534 . . . . 99.99 112.391 163.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -65.58 -26.75 67.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.824 0.85 . . . . 99.99 112.762 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.573 HG22 ' HB1' ' B' ' 129' ' ' ALA . 64.1 t -79.43 122.09 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 109.017 -0.734 . . . . 99.99 109.017 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 13.7 t -135.18 147.89 49.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.302 0.641 . . . . 99.99 110.628 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.87 157.28 26.36 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.02 0.928 . . . . 99.99 110.117 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 30.9 p -129.57 75.35 79.97 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 124.356 1.062 . . . . 99.99 110.099 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -81.93 -3.58 11.76 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 122.467 2.111 . . . . 99.99 112.405 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -100.63 161.11 24.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.44 1.496 . . . . 99.99 110.054 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.44 -177.95 2.71 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.582 2.188 . . . . 99.99 111.338 171.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -83.39 -50.55 8.22 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 122.385 -0.197 . . . . 99.99 110.795 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.67 68.95 0.24 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.201 0.524 . . . . 99.99 110.272 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 74.54 -55.09 0.66 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.691 1.596 . . . . 99.99 111.719 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 72.86 96.21 0.07 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.375 1.47 . . . . 99.99 110.321 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 32.8 t -65.15 134.67 54.23 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.225 1.01 . . . . 99.99 111.456 -176.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.66 125.56 90.82 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 123.247 0.619 . . . . 99.99 111.061 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.98 61.81 8.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.977 2.451 . . . . 99.99 111.591 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 26.5 m -83.89 111.9 19.65 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.583 -0.735 . . . . 99.99 110.575 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.2 tt 76.52 -64.8 0.33 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.589 1.556 . . . . 99.99 112.452 165.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 322' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' E' ' 326' ' ' ASP . . . -88.04 -52.76 5.08 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.705 0.802 . . . . 99.99 111.903 -175.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 323' ' ' GLN . . . . . 0.531 ' HG2' ' H ' ' E' ' 324' ' ' MET 0.276 1.3 pm0 37.45 -92.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.869 1.668 . . . . 99.99 113.449 -165.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.531 ' H ' ' HG2' ' E' ' 323' ' ' GLN . 0.0 OUTLIER -80.13 -37.09 34.24 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.373 0.533 . . . . 99.99 110.627 -173.099 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.6 t -108.23 99.47 8.88 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.575 0.702 . . . . 99.99 109.627 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.551 ' HA ' ' HB1' ' E' ' 322' ' ' ALA . 28.1 t70 -57.84 -43.06 85.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.171 0.988 . . . . 99.99 111.592 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.53 ' HB3' HG12 ' E' ' 329' ' ' ILE . 38.2 tttm -163.02 172.55 14.83 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.197 0.311 . . . . 99.99 110.64 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.08 3.6 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.588 0.755 . . . . 99.99 112.437 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.53 HG12 ' HB3' ' E' ' 327' ' ' LYS . 36.8 pt -60.43 -26.25 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 123.417 0.687 . . . . 99.99 110.825 168.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.783 ' HB3' ' HB2' ' E' ' 337' ' ' LYS . 31.9 mt-10 -82.13 -17.58 45.91 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.052 1.341 . . . . 99.99 112.216 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 25.9 tp -82.1 -14.57 55.59 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.691 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.87 -178.78 7.23 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.696 0.798 . . . . 99.99 110.86 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 82.8 p 58.5 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.777 2.031 . . . . 99.99 112.75 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -135.27 16.46 3.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.655 0.782 . . . . 99.99 111.67 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 335' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' E' ' 339' ' ' PHE . 10.4 m120 59.63 29.55 19.12 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.727 0.811 . . . . 99.99 110.846 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -56.09 -46.21 79.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.184 0.994 . . . . 99.99 113.5 -165.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.783 ' HB2' ' HB3' ' E' ' 330' ' ' GLU . 72.8 mmtt -105.61 -22.63 12.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.647 0.379 . . . . 99.99 110.72 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -78.9 -36.46 28.43 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 123.366 0.416 . . . . 99.99 113.363 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 339' ' ' PHE . . . . . 0.478 ' HB2' ' HB3' ' E' ' 335' ' ' ASN . 89.9 t80 -95.26 148.93 21.88 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.091 0.957 . . . . 99.99 109.779 -177.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -142.86 -170.51 3.25 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 99.99 109.364 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.51 88.21 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.354 0.661 . . . . 99.99 110.538 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -90.41 78.07 6.46 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.975 0.91 . . . . 99.99 110.633 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.42 128.69 48.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 114.461 -1.245 . . . . 99.99 108.443 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.92 149.57 21.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.709 0.403 . . . . 99.99 109.982 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -99.68 14.55 60.43 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.623 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.13 84.49 5.1 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.835 0.854 . . . . 99.99 110.548 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.0 p -116.35 16.71 15.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.491 1.117 . . . . 99.99 109.46 173.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.03 110.75 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.85 156.02 38.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.244 0.617 . . . . 99.99 109.797 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -43.42 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.497 1.519 . . . . 99.99 112.569 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -78.71 -24.58 44.86 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.346 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -69.91 86.3 0.52 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.93 0.871 . . . . 99.99 109.4 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.46 -62.77 1.29 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.322 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -165.06 24.51 0.06 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.529 0.732 . . . . 99.99 109.975 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.47 -23.95 0.22 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.043 1.737 . . . . 99.99 113.72 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.6 t30 58.28 96.15 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 124.724 1.21 . . . . 99.99 110.817 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.32 82.45 0.29 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.008 2.472 . . . . 99.99 112.456 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.1 p -81.95 -29.9 31.98 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.006 0.922 . . . . 99.99 110.804 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.58 -24.75 21.84 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.889 -0.596 . . . . 99.99 113.194 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 63.67 -81.76 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.099 1.36 . . . . 99.99 110.281 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 13.6 tt -101.6 26.6 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 CA-C-O 122.021 0.915 . . . . 99.99 109.613 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -64.19 -25.97 70.09 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-N 115.292 -0.867 . . . . 99.99 113.201 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.02 -34.27 77.71 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.731 0.812 . . . . 99.99 110.084 174.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 18.5 m 58.92 71.18 0.6 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.786 1.234 . . . . 99.99 111.562 171.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 74.8 t -124.53 119.66 56.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 C-N-CA 123.768 0.827 . . . . 99.99 108.868 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -82.59 84.47 7.24 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.279 0.632 . . . . 99.99 109.465 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.91 -4.55 50.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.038 0.935 . . . . 99.99 112.141 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 6.6 p-10 -61.84 -33.26 73.83 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.524 0.729 . . . . 99.99 111.945 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.72 -28.34 68.35 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 111.756 0.28 . . . . 99.99 111.756 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.72 86.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.751 0.42 . . . . 99.99 110.774 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.32 -21.76 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.145 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 79.2 mt-30 -63.35 -50.92 68.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.59 0.356 . . . . 99.99 110.559 172.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.99 91.87 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.399 -0.364 . . . . 99.99 110.487 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.13 -28.36 68.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.213 0.605 . . . . 99.99 111.924 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.14 -41.81 85.48 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.117 0.967 . . . . 99.99 108.607 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.18 -31.53 66.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.416 -0.811 . . . . 99.99 111.587 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -77.64 -19.06 56.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.018 0.527 . . . . 99.99 110.727 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.77 -39.55 84.11 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.221 0.534 . . . . 99.99 109.872 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -69.2 -49.38 57.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.855 -1.066 . . . . 99.99 109.216 172.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 380' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' E' ' 380' ' ' LYS . 10.5 mmpt? -98.9 57.64 1.11 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 114.345 -1.298 . . . . 99.99 109.929 -175.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 125.3 23.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.639 -0.71 . . . . 99.99 109.372 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -71.94 80.92 0.56 Allowed Glycine 0 C--N 1.347 1.165 0 O-C-N 124.095 0.872 . . . . 99.99 113.571 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.12 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.487 1.515 . . . . 99.99 112.534 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.1 p -82.58 176.23 9.54 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.219 -0.66 . . . . 99.99 109.219 165.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.86 97.01 1.33 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.21 131.1 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.993 0.517 . . . . 99.99 111.273 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 2.2 mp -112.06 113.69 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.369 -1.345 . . . . 99.99 107.369 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 6.4 p -71.09 112.58 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.943 -0.762 . . . . 99.99 108.943 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 58.6 p -74.83 132.24 41.38 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.465 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -121.31 120.06 34.0 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.779 1.231 . . . . 99.99 108.017 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.55 156.7 36.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.201 0.6 . . . . 99.99 110.019 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -78.58 -36.6 44.15 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.557 0.743 . . . . 99.99 112.295 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.93 6.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.745 0.418 . . . . 99.99 111.228 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.83 -46.92 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.761 0.824 . . . . 99.99 110.52 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -165.7 105.07 0.71 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.538 0.735 . . . . 99.99 109.992 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 58.6 p -151.46 -75.93 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.829 0.452 . . . . 99.99 110.785 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -131.47 10.73 4.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.901 0.88 . . . . 99.99 110.032 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.84 -16.18 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 C-N-CA 123.706 0.802 . . . . 99.99 111.431 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 14.0 p -138.22 141.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.486 0.714 . . . . 99.99 109.735 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 71.33 148.36 0.12 Allowed Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 125.501 1.52 . . . . 99.99 113.218 173.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 130.45 22.92 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 122.463 2.108 . . . . 99.99 111.659 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -140.25 99.48 3.67 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.831 0.852 . . . . 99.99 108.95 -172.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 2.0 m -140.79 -60.99 0.5 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.652 0.263 . . . . 99.99 110.41 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.482 ' HG2' ' HD2' ' E' ' 406' ' ' PRO . 0.0 OUTLIER -169.14 169.3 9.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.352 0.661 . . . . 99.99 110.024 -176.46 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.15 6.4 Favored Pre-proline 0 CA--C 1.565 1.521 0 CA-C-O 118.526 -0.75 . . . . 99.99 112.959 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 406' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' E' ' 404' ' ' LYS . 6.1 Cg_exo -76.09 -169.5 0.7 Allowed 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 122.419 2.079 . . . . 99.99 113.398 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -70.99 -39.85 63.12 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 115.565 -0.743 . . . . 99.99 112.033 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.43 -109.57 0.21 Allowed 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 118.445 -0.788 . . . . 99.99 109.173 173.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.9 m 64.03 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.679 1.192 . . . . 99.99 111.692 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.42 133.11 34.68 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.523 0.729 . . . . 99.99 109.461 -176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 66.97 16.8 10.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.793 1.237 . . . . 99.99 112.997 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.482 HD21 ' H ' ' D' ' 69' ' ' GLY . 7.8 mp 61.78 -147.41 0.4 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 124.496 1.119 . . . . 99.99 109.587 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -164.62 129.24 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.083 0.856 . . . . 99.99 110.712 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 22.8 p -62.57 -58.68 6.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.752 1.221 . . . . 99.99 112.041 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -82.28 11.24 5.62 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.088 -0.96 . . . . 99.99 111.439 -170.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.08 -37.53 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.915 0.886 . . . . 99.99 109.456 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.66 -38.3 3.38 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 110.633 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.51 7.38 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.982 1.313 . . . . 99.99 111.691 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.11 71.28 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 CA-C-O 123.183 1.468 . . . . 99.99 109.594 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 36.7 ttp -89.66 90.29 8.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.059 -1.428 . . . . 99.99 107.845 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.53 HG22 ' H ' ' E' ' 422' ' ' MET . 9.3 p -82.47 -152.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.882 0 CA-C-N 114.185 -1.37 . . . . 99.99 109.09 -176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 422' ' ' MET . . . . . 0.53 ' H ' HG22 ' E' ' 421' ' ' VAL . 84.8 mtp 70.79 -159.04 0.14 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.84 1.256 . . . . 99.99 109.897 -172.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.0 m 69.03 -178.07 0.22 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.491 1.117 . . . . 99.99 110.231 -169.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -85.79 -83.32 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.642 -0.503 . . . . 99.99 109.642 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 64.03 -130.91 39.25 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.107 0.255 . . . . 99.99 113.466 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.68 22.19 2.35 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.169 0.988 . . . . 99.99 111.294 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -84.44 59.02 5.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.845 0.858 . . . . 99.99 109.805 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 64.55 7.67 3.87 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.263 1.425 . . . . 99.99 113.723 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -83.02 -19.92 36.02 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.305 0.574 . . . . 99.99 110.059 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.26 -10.74 7.43 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.368 1.067 . . . . 99.99 112.257 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 42.6 m -62.25 -16.55 54.34 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.963 0.905 . . . . 99.99 112.123 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.29 -0.01 18.18 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.622 0.769 . . . . 99.99 112.474 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.508 ' HA ' ' NH1' ' C' ' 61' ' ' ARG . 10.6 pt-20 -69.88 169.08 13.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.351 0.66 . . . . 99.99 111.527 175.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 51.55 54.48 10.96 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.453 1.101 . . . . 99.99 113.487 160.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 12.1 m -141.27 51.68 1.58 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 122.326 1.06 . . . . 99.99 109.181 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 436' ' ' GLY . . . . . 0.473 ' HA3' ' H ' ' C' ' 44' ' ' LEU . . . -86.88 -122.53 1.52 Allowed Glycine 0 C--N 1.344 1.012 0 CA-C-N 114.504 -1.225 . . . . 99.99 112.503 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 66.4 m -144.33 104.45 4.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.236 0.614 . . . . 99.99 110.189 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -152.36 94.33 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 99.99 109.624 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.484 HD13 HG22 ' E' ' 154' ' ' ILE . 46.2 tp -174.34 -49.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 99.99 108.48 170.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -80.79 -64.23 1.23 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.805 -0.634 . . . . 99.99 109.976 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 441' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' E' ' 289' ' ' ARG . 49.4 mm 57.58 -82.37 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 125.241 1.416 . . . . 99.99 109.206 -172.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 60.88 -74.38 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.778 1.631 . . . . 99.99 113.057 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 57.27 62.31 2.23 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.977 1.311 . . . . 99.99 110.839 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -87.19 -25.97 23.79 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.605 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -68.82 141.77 37.0 Favored Glycine 0 C--N 1.356 1.671 0 CA-C-O 118.448 -1.195 . . . . 99.99 111.787 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -52.74 161.66 2.95 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 124.173 3.249 . . . . 99.99 115.772 -172.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -117.34 12.67 14.35 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.672 0.789 . . . . 99.99 110.5 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.68 120.51 11.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.61 0.764 . . . . 99.99 110.697 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -146.09 -159.57 1.03 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.312 1.045 . . . . 99.99 109.088 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.79 85.84 1.69 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.846 0.831 . . . . 99.99 109.164 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.02 142.64 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.762 -1.108 . . . . 99.99 110.172 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.534 HG21 ' SG ' ' A' ' 97' ' ' CYS . 17.4 m -109.75 -155.63 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.882 0.873 . . . . 99.99 110.412 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -153.56 174.82 32.11 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.852 -0.499 . . . . 99.99 111.852 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 56' ' ' TYR . 59.9 tp -118.06 144.29 45.72 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.26 -1.015 . . . . 99.99 108.26 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 4.4 t -162.33 -54.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.657 0.783 . . . . 99.99 109.584 174.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.17 162.94 13.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.202 1.001 . . . . 99.99 108.871 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -96.02 148.86 22.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.222 0.609 . . . . 99.99 110.595 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 38.2 p -119.19 7.03 11.24 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.398 0.679 . . . . 99.99 110.661 169.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.2 t70 68.76 166.33 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.593 1.157 . . . . 99.99 112.184 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.551 HD22 ' H ' ' E' ' 460' ' ' LEU . 1.8 mm? -65.07 140.91 58.88 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.097 0.959 . . . . 99.99 108.546 175.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 133' ' ' PHE . 33.0 p90 -131.48 29.96 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.471 0.308 . . . . 99.99 111.812 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 52.9 t80 68.5 141.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.567 1.147 . . . . 99.99 112.587 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 463' ' ' THR . . . . . 0.541 ' HB ' HG13 ' A' ' 131' ' ' VAL . 28.3 m -149.73 -68.95 0.2 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.569 1.148 . . . . 99.99 108.105 166.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 3.0 tpt 43.72 85.98 0.02 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.865 1.266 . . . . 99.99 111.859 -172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -90.03 98.26 11.67 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.295 -0.631 . . . . 99.99 109.295 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 67.54 -172.54 0.19 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.314 1.446 . . . . 99.99 112.089 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -139.25 178.08 7.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.646 0.778 . . . . 99.99 109.612 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 129' ' ' ALA . 1.4 pt? -122.52 141.49 51.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.708 0.803 . . . . 99.99 109.722 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.11 116.39 4.46 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 110.511 -1.036 . . . . 99.99 110.511 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.454 ' HA ' HG22 ' E' ' 133' ' ' THR . 2.0 tt -73.64 96.29 2.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.344 -0.614 . . . . 99.99 109.344 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 C-N-CA 124.396 1.078 . . . . 99.99 110.403 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.964 -0.384 . . . . 99.99 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 61.25 -146.48 0.44 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.743 0.817 . . . . 99.99 109.597 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 64.09 70.54 0.5 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.836 0.855 . . . . 99.99 110.778 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.565 HE21 ' HA ' ' A' ' 53' ' ' ASP . 67.7 mt-30 74.84 -37.48 0.35 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.419 1.487 . . . . 99.99 112.46 -175.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.28 76.49 0.53 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 124.365 1.066 . . . . 99.99 109.404 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 44.23 70.7 0.3 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.825 1.65 . . . . 99.99 110.553 -173.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -58.59 -73.78 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.434 -0.803 . . . . 99.99 109.915 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -137.97 -86.9 0.27 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 166.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.0 ptp 173.67 134.19 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.701 1.6 . . . . 99.99 108.585 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -175.95 145.12 0.64 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.557 0.577 . . . . 99.99 112.557 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -136.99 120.33 16.89 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 106.965 -1.494 . . . . 99.99 106.965 162.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -146.98 134.15 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.658 0.383 . . . . 99.99 110.094 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.406 HH21 ' HG1' ' B' ' 122' ' ' THR . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 87.02 110.684 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 27.8 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 12.57 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 37.56 109.733 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 5.43 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 6.92 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 5.61 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 12.68 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 32.78 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG2' ' HG ' ' E' ' 470' ' ' LEU . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 57.34 112.064 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG21 HD12 ' E' ' 468' ' ' LEU . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 48.36 108.729 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 97.85 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 43.33 109.185 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 41.53 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 88.8 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 73.87 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.565 ' HA ' HE21 ' A' ' 4' ' ' GLN . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.04 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 54.22 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 29.36 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 19.86 107.571 175.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 13.6 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 17.22 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 14.92 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 21.43 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 23.61 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 57.75 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 93.1 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 30.12 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 22.88 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 30.01 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 14.44 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 9.47 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 20.02 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 66.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m -85.63 124.75 32.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD12 HG23 ' E' ' 452' ' ' VAL . 9.7 tp -117.32 136.87 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.566 0.347 . . . . 99.99 111.873 -175.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.84 159.92 0.87 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.933 0.893 . . . . 99.99 111.348 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.8 -39.01 2.74 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.971 -1.013 . . . . 99.99 113.584 163.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 90' ' ' GLU . 8.5 mt -143.32 172.87 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.746 -1.205 . . . . 99.99 107.746 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -163.03 -160.81 0.65 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.054 0.942 . . . . 99.99 110.462 176.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.99 -161.26 54.39 Favored Glycine 0 C--N 1.35 1.312 0 C-N-CA 123.985 0.803 . . . . 99.99 114.261 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 t -73.52 -26.3 60.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.125 0.57 . . . . 99.99 111.448 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.47 -35.84 80.58 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.326 0.65 . . . . 99.99 110.216 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 32.4 mmt -86.42 -13.23 46.89 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.326 1.232 . . . . 99.99 114.326 173.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.11 -26.43 49.77 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.338 0.517 . . . . 99.99 112.238 177.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -84.11 -18.71 35.96 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.425 0.528 . . . . 99.99 112.425 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.406 ' SG ' HG12 ' E' ' 452' ' ' VAL . 49.5 t -63.55 -57.95 8.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.779 0.431 . . . . 99.99 110.227 176.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -10.33 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.443 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' A' ' 133' ' ' PHE . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 95.56 111.119 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 94.48 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 73.2 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 48.9 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 94.19 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 55.88 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 21.71 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 15.39 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 9.95 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 20.66 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 7.34 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.742 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 15.45 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 4.41 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 7.34 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 7.28 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 4.96 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 48.88 112.774 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.586 HG12 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 26.6 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 17.97 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 8.38 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.433 ' HB ' HH21 ' B' ' 15' ' ' ARG . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 20.1 109.98 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' HE1' HG11 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 13.71 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 20.05 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 56.76 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.434 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 62.97 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' E' ' 135' ' ' VAL . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 56.46 112.276 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.742 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 77.42 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.52 153.76 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -104.31 112.13 25.04 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.332 1.053 . . . . 99.99 111.525 -170.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.631 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 9.0 t80 -61.68 -33.88 74.76 Favored 'General case' 0 C--O 1.204 -1.335 0 CA-C-O 118.535 -0.745 . . . . 99.99 111.241 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.99 -27.81 20.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.517 0.727 . . . . 99.99 112.332 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.05 -59.14 5.84 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 123.448 0.468 . . . . 99.99 110.653 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.79 -8.27 59.68 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.234 1.014 . . . . 99.99 112.111 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.71 -39.89 56.65 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 123.57 0.748 . . . . 99.99 110.05 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.4 mmt -63.62 -35.74 81.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.718 0.771 . . . . 99.99 109.145 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -71.09 -25.96 62.83 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 113.874 -1.512 . . . . 99.99 111.94 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.65 -33.72 13.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.454 0.702 . . . . 99.99 111.506 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.29 -44.58 72.04 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.131 1.772 . . . . 99.99 112.625 -168.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -157.8 -15.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.444 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -76.73 -47.06 22.99 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.369 -0.604 . . . . 99.99 109.369 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 50.88 49.62 20.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 99.99 110.884 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 62.49 -152.0 0.35 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.884 -1.053 . . . . 99.99 111.064 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 150' ' ' GLU . . . -67.46 102.79 0.85 Allowed Glycine 0 C--N 1.351 1.392 0 CA-C-N 117.804 0.274 . . . . 99.99 112.518 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -51.61 62.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.094 1.357 . . . . 99.99 112.124 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.27 -13.12 66.45 Favored Glycine 0 N--CA 1.47 0.91 0 N-CA-C 115.037 0.775 . . . . 99.99 115.037 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -155.45 -46.78 0.08 Allowed 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.792 0.796 . . . . 99.99 112.951 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.533 ' HA ' ' HA3' ' A' ' 146' ' ' GLY . 37.8 tt0 74.12 -57.07 0.63 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.785 1.634 . . . . 99.99 111.572 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.72 160.29 43.32 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.023 -1.103 . . . . 99.99 108.023 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -71.14 75.95 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.505 0.669 . . . . 99.99 109.91 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.29 -47.24 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.042 -1.466 . . . . 99.99 107.042 -170.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.2 -103.03 0.14 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.43 -1.259 . . . . 99.99 111.034 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.717 -0.658 . . . . 99.99 109.665 -174.418 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t 64.22 -172.83 0.17 Allowed 'General case' 0 C--O 1.253 1.246 0 C-N-CA 124.527 1.131 . . . . 99.99 109.641 -171.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 67.2 171.0 0.26 Allowed 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.758 0.823 . . . . 99.99 110.571 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' B' ' 8' ' ' GLU . 18.0 mp0 -105.82 13.03 30.12 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.358 -0.839 . . . . 99.99 110.894 177.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.462 ' HB2' HE21 ' B' ' 93' ' ' GLN . 9.5 t30 65.37 -72.69 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.164 1.386 . . . . 99.99 110.104 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -135.4 -70.2 0.49 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.115 0.966 . . . . 99.99 109.218 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.4 p -86.25 -73.9 0.44 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.023 0.529 . . . . 99.99 109.854 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 4' ' ' GLN . 35.8 tt0 175.09 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.264 1.426 . . . . 99.99 109.615 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.519 ' HA ' ' HA3' ' B' ' 88' ' ' GLY . 15.2 ttt 67.35 163.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.091 1.757 . . . . 99.99 111.741 -168.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.501 ' N ' ' HG2' ' B' ' 9' ' ' MET . 10.1 t -159.18 142.84 14.9 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.198 1.399 . . . . 99.99 107.258 168.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 -149.59 154.07 38.09 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.626 0.77 . . . . 93.55 109.14 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.669 ' H ' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 40.88 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 85.25 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.433 HH21 ' HB ' ' A' ' 122' ' ' THR . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 95.33 110.171 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.541 ' HB ' HD21 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 13.6 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 23.1 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 6.51 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 19.94 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 5.14 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 19.25 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 9.84 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 18.09 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 49.39 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 98.87 110.678 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.468 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 72.1 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' E' ' 8' ' ' LEU . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 96.73 110.018 -170.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' E' ' 8' ' ' LEU . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 67.27 109.254 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.676 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.439 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 66.97 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 35.64 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 74.75 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 43.74 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 89.61 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 85.91 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 76.71 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 98.07 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 57.34 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 21.57 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 62.33 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 95.32 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 14.84 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 28.15 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' B' ' 42' ' ' LEU . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 18.14 109.042 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 24.35 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 26.44 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.439 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 56.64 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 62.67 107.203 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 81.37 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 33.32 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.75 ' HA ' HG21 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 25.99 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 18.76 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 16.93 106.458 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 12.76 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' B' ' 113' ' ' CYS . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 8.91 109.076 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 33.15 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.544 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 11.78 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 39.34 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 63.88 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 82.93 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 98.2 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' B' ' 9' ' ' MET . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.792 HG21 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.477 ' HG3' ' HG2' ' E' ' 336' ' ' GLU . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' B' ' 5' ' ' ASN . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 71.23 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 59.87 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 71.19 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 105' ' ' ILE . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 50.37 113.268 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 36.29 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASN . . . . . 0.518 ' HB3' ' HB ' ' E' ' 67' ' ' ILE . 15.0 t-20 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 87.59 111.0 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.506 HG21 HG21 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 37.19 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 13.07 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 10.37 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 12.29 110.449 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 8.75 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 59.14 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 13.3 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.526 HG23 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 9.86 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 13.13 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.02 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 26.78 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 13.3 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 29.79 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.406 ' HG1' HH21 ' A' ' 15' ' ' ARG . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 23.15 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 23.84 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 29.89 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.468 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 72.13 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 73.04 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 90.81 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' E' ' 304' ' ' PRO . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 43.15 111.473 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 61.27 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.42 ' O ' HD22 ' E' ' 8' ' ' LEU . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.57 108.913 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.448 ' H ' HG11 ' E' ' 306' ' ' VAL . 44.6 m-80 -87.63 90.57 8.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -74.02 -6.59 48.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.798 1.239 . . . . 99.99 111.835 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.423 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 4.8 p-10 -50.59 -34.66 26.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.895 1.678 . . . . 99.99 113.755 -169.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.88 62.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.393 0.677 . . . . 99.99 110.625 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.01 -45.89 82.73 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 19.6 t80 -61.59 -42.78 99.36 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.358 -1.292 . . . . 99.99 110.795 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.27 -37.02 85.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.427 1.091 . . . . 99.99 111.239 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -75.49 -33.98 60.84 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.321 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -71.07 -22.18 62.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.895 0.878 . . . . 99.99 111.709 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 88.2 mt -77.32 -11.71 59.86 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.646 -0.693 . . . . 99.99 112.185 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 40.38 88.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.437 1.495 . . . . 99.99 111.603 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.02 74.53 1.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 122.328 1.061 . . . . 99.99 112.233 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -174.15 -63.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.932 1.293 . . . . 99.99 108.045 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.57 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.356 1.062 . . . . 99.99 110.719 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 57.63 45.28 93.43 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 114.831 0.693 . . . . 99.99 114.831 169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.04 -21.09 27.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.348 0.659 . . . . 99.99 110.932 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.62 42.09 5.22 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.724 -0.671 . . . . 99.99 112.651 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -84.21 158.39 21.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.457 -0.571 . . . . 99.99 109.457 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 51.5 90.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.478 1.111 . . . . 99.99 112.28 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 64.96 68.79 0.5 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.451 1.1 . . . . 99.99 111.438 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -161.3 -81.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.733 0.813 . . . . 99.99 110.123 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -83.94 -70.42 0.57 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.317 0.647 . . . . 99.99 110.129 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 176.48 -164.52 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.517 1.527 . . . . 99.99 108.632 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.626 0.77 . . . . 99.99 109.593 174.573 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.951 -0.759 . . . . 99.99 108.951 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -71.93 149.87 44.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.332 0.653 . . . . 99.99 109.989 172.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.99 -20.96 66.28 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.927 0.891 . . . . 99.99 112.032 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 59.65 35.5 22.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.174 0.99 . . . . 99.99 111.407 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' E' ' 444' ' ' TYR . 28.4 p-10 -61.56 -17.09 53.46 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 99.99 111.806 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -72.09 -2.42 18.41 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.088 1.355 . . . . 99.99 112.965 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -97.59 10.76 39.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.147 0.579 . . . . 99.99 110.573 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' E' ' 443' ' ' ALA . 9.2 tp10 -90.18 -78.58 0.37 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.293 -1.002 . . . . 99.99 108.293 171.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' C' ' 88' ' ' GLY . 18.1 mmt 61.7 154.51 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.006 1.322 . . . . 99.99 113.7 175.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 75.9 m -101.6 98.63 8.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.719 0.808 . . . . 99.99 108.966 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.431 ' HE2' ' HD1' ' C' ' 101' ' ' TYR . 1.8 t80 -118.55 123.98 46.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.578 1.151 . . . . 99.99 108.168 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.616 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 56.3 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 93.16 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 11.74 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.473 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 6.91 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 21.95 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 5.12 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 9.28 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 8.82 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 12.04 107.649 171.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 30.41 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.46 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 48.75 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.53 HG23 HD11 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 55.24 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.674 ' HG2' HD13 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 88.6 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 68.93 111.293 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 87.15 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 94.05 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.414 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.473 HD22 HG21 ' E' ' 288' ' ' VAL . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 71.87 109.247 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' THR . . . . . 0.446 HG23 ' HB2' ' E' ' 285' ' ' ASN . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 62.96 110.436 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 35.73 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 56.22 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 43.42 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 94.06 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' C' ' 87' ' ' ALA . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 81.86 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 29.6 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 20.9 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.488 HD12 HG22 ' C' ' 62' ' ' VAL . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 69.19 108.09 176.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.488 HG22 HD12 ' C' ' 60' ' ' LEU . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 14.53 108.439 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.42 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 17.7 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 29.53 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 32.22 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 59.66 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 97.29 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 76.35 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 37.0 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 34.06 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 39.96 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.409 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 16.54 106.578 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.409 ' N ' HD13 ' C' ' 75' ' ' LEU . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 9.25 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 25.23 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 10.6 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.468 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.486 HD12 HD11 ' C' ' 51' ' ' LEU . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 30.38 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.438 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.32 102.86 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' C' ' 54' ' ' ASP . . . -131.25 143.73 50.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 99.99 109.056 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . 162.39 -88.95 0.11 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.304 -1.118 . . . . 99.99 110.304 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' C' ' 94' ' ' MET . 11.3 tp 176.26 155.23 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 C-N-CA 125.222 1.409 . . . . 99.99 110.534 163.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.479 ' HB3' ' HA ' ' E' ' 278' ' ' LEU . 0.0 OUTLIER -78.06 -167.29 0.97 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.564 1.545 . . . . 99.99 113.93 -163.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.44 ' HA3' ' HG2' ' E' ' 149' ' ' LYS . . . 77.44 -149.44 35.34 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 110.244 -1.142 . . . . 99.99 110.244 -178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' C' ' 95' ' ' ALA . 0.3 OUTLIER -70.81 -16.77 62.76 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.013 0.525 . . . . 99.99 111.327 177.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.83 -68.34 0.25 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.755 1.222 . . . . 99.99 111.46 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' C' ' 89' ' ' ILE . 34.5 mtm -75.06 -21.17 59.16 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.236 0.458 . . . . 99.99 112.236 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.677 ' HA ' ' HB3' ' C' ' 98' ' ' LEU . . . -60.54 -19.22 56.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.775 0.657 . . . . 99.99 112.775 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -47.83 -59.76 3.08 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.486 0.314 . . . . 99.99 110.18 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' E' ' 141' ' ' ALA . 34.6 m -72.53 -48.76 37.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.79 -0.641 . . . . 99.99 109.936 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' E' ' 281' ' ' PHE . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 68.51 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 56.52 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.431 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 56.59 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 39.21 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 8.71 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.468 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 37.06 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 16.74 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 9.85 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 5.88 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 7.64 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 20.64 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 13.9 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.461 HD13 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 8.58 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 8.54 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 6.56 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.58 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 5.22 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.446 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 28.53 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 17.6 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 15.17 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 24.81 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 29.42 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 59.85 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 41.85 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 38.57 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 24.62 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 24.48 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 68.05 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -61.67 -24.5 66.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.2 -54.76 43.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.524 0.73 . . . . 99.99 110.142 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.9 65.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.244 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' E' ' 288' ' ' VAL . 0.2 OUTLIER -68.14 -26.06 65.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.556 0.743 . . . . 99.99 111.272 -177.108 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -61.64 -31.42 71.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.825 0.45 . . . . 99.99 111.483 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ttt -77.49 -45.09 26.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.709 0.404 . . . . 99.99 110.252 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -54.88 -36.02 64.68 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.787 0.835 . . . . 99.99 111.624 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 140' ' ' TYR . . . . . 0.576 ' HD1' ' HD2' ' E' ' 287' ' ' PRO . 56.3 t80 -40.67 -83.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.514 1.526 . . . . 99.99 112.427 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.68 -37.25 85.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.569 0.748 . . . . 99.99 110.841 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.3 -59.47 4.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.336 0.654 . . . . 99.99 111.864 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -156.0 112.04 3.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.893 0.477 . . . . 99.99 111.381 -171.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.99 -31.54 59.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.196 0.598 . . . . 99.99 110.878 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' E' ' 289' ' ' ARG . . . 52.77 -161.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.891 1.276 . . . . 99.99 112.179 -174.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.88 -56.18 4.64 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.97 130.7 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.717 1.607 . . . . 99.99 111.517 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -74.12 84.15 0.72 Allowed Glycine 0 C--N 1.343 0.958 0 N-CA-C 112.001 -0.44 . . . . 99.99 112.001 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.3 t -78.9 164.89 24.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.696 0.798 . . . . 99.99 109.884 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.51 -55.26 1.33 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.802 0.441 . . . . 99.99 110.725 -172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.08 91.36 0.05 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.969 1.308 . . . . 99.99 108.423 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -66.02 -22.93 66.47 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 68.95 140.47 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.656 1.183 . . . . 99.99 111.972 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.04 -70.76 0.27 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.727 0.411 . . . . 99.99 110.018 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.753 0.821 . . . . 99.99 109.057 -177.536 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.409 ' HB3' ' O ' ' D' ' 5' ' ' ASN . 25.2 ttt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.637 -0.134 . . . . 99.99 110.637 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m 74.13 -26.62 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.073 1.349 . . . . 99.99 113.907 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -67.05 -63.82 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.201 1.0 . . . . 99.99 109.56 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -97.12 8.9 43.54 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.793 0.837 . . . . 99.99 109.166 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' D' ' 1' ' ' MET . 65.0 t30 63.2 -65.52 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.299 1.84 . . . . 99.99 110.782 -164.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.56 89.45 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.246 1.419 . . . . 99.99 110.892 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.43 142.78 31.34 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.976 -1.12 . . . . 99.99 107.976 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -91.27 43.89 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 99.99 111.44 -170.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.428 ' SD ' HG23 ' D' ' 89' ' ' ILE . 10.6 tpt -33.7 129.94 0.3 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.044 1.337 . . . . 99.99 113.13 170.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -136.39 136.75 39.85 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.683 0.793 . . . . 99.99 108.915 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.515 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 76.43 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.569 HD13 HG21 ' D' ' 105' ' ' ILE . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 79.46 112.546 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.43 HD11 HG21 ' D' ' 13' ' ' ILE . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 53.22 107.498 170.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 19.87 111.194 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 8.43 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 36.9 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.58 HG21 ' HE2' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 4.02 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 77' ' ' GLU . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 7.64 109.151 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 5.08 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 7.19 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 13.41 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 12.01 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 20.55 112.959 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 22.26 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 34.6 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 31.63 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 49.29 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 31.29 111.173 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.461 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 52.79 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' HD3' ' E' ' 114' ' ' LYS . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 74.77 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 66.01 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.436 HG23 ' HB3' ' E' ' 106' ' ' TYR . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 77.52 108.605 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 38.8 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 48.36 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 52.73 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.71 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 82.32 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 96.95 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.441 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 82.8 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.548 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 44.56 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 19.48 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 52.2 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.407 HG11 HD13 ' D' ' 128' ' ' LEU . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 9.25 108.535 171.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 10.79 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 9.72 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 19.36 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 11.33 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 29.87 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.441 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 24.97 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 27.84 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 11.35 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 10.67 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 7.73 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 11.05 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.658 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 77' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 22' ' ' SER . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 5.05 110.01 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 46.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 21.68 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.29 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 43.57 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 77.58 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.485 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 88.57 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.728 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 35.0 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.463 ' SD ' ' HB3' ' E' ' 99' ' ' ALA . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.465 ' HB1' HD23 ' E' ' 102' ' ' LEU . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 88.9 111.566 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.492 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 95.17 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.687 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 66.02 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 54.11 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 101' ' ' TYR . . . . . 0.443 ' CE1' ' SG ' ' E' ' 308' ' ' CYS . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 40.76 111.284 -177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.687 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 34.31 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 28.69 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 61.29 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.569 HG21 HD13 ' D' ' 13' ' ' ILE . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 19.65 110.298 172.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 13.09 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 10.47 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 6.22 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 10.48 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 4.16 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.485 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 10.22 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.39 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.658 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 5.37 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 7.06 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 6.71 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.422 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 5.08 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 5.65 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 10.21 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 6.99 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.586 HG23 ' NE1' ' E' ' 131' ' ' TRP . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 18.26 111.65 177.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 123' ' ' PHE . . . . . 0.427 ' HB2' HG13 ' D' ' 118' ' ' VAL . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.414 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 20.06 112.928 175.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 16.85 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 14.84 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.541 HD21 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 76.73 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.407 HD13 HG11 ' D' ' 62' ' ' VAL . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 20.32 110.989 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 28.37 111.142 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 32.68 110.818 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 131' ' ' VAL . . . . . 0.448 ' HA ' HD13 ' E' ' 71' ' ' ILE . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 69.78 110.026 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.29 -61.03 2.63 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.41 71.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.21 -0.905 . . . . 99.99 111.057 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' E' ' 120' ' ' TYR . 24.8 tp -50.54 -48.81 57.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.11 1.364 . . . . 99.99 112.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -60.18 -48.69 80.67 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.613 0.765 . . . . 99.99 111.397 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 71.6 mtm -70.91 -36.32 72.65 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 114.477 -1.238 . . . . 99.99 111.544 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.33 -26.31 62.78 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.58 0.352 . . . . 99.99 111.783 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.99 -49.69 60.12 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.349 0.595 . . . . 99.99 110.186 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.98 -34.96 59.78 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.698 -1.137 . . . . 99.99 111.842 -169.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.23 -2.04 20.19 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.576 0.584 . . . . 99.99 112.576 -173.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -150.63 47.6 0.87 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.611 1.196 . . . . 99.99 108.629 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -147.33 133.54 19.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.325 -1.307 . . . . 99.99 108.258 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.14 118.46 9.24 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.547 0.739 . . . . 99.99 109.626 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.67 157.74 47.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 70.17 130.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.457 1.103 . . . . 99.99 111.124 -175.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.7 78.9 0.6 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.536 -1.026 . . . . 99.99 110.536 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 21.6 m -67.2 -28.23 67.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.033 0.933 . . . . 99.99 110.593 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 61.14 22.69 12.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.161 1.384 . . . . 99.99 112.26 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -61.37 -26.25 67.7 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.192 0.997 . . . . 99.99 111.298 175.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -64.96 -35.62 81.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.072 0.949 . . . . 99.99 110.156 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -93.88 -18.77 21.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.947 0.899 . . . . 99.99 111.152 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 61.96 43.97 8.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.88 1.272 . . . . 99.99 110.257 -166.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.177 1.391 . . . . 99.99 110.551 -177.248 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.159 -0.312 . . . . 99.99 110.159 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.462 ' HD2' ' HA ' ' E' ' 48' ' ' THR . 11.0 ptpt -164.81 -5.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.034 0.934 . . . . 99.99 110.935 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HD3' ' E' ' 303' ' ' LYS . 21.4 mp0 -76.91 172.58 12.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.253 1.021 . . . . 99.99 109.858 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.8 t -171.97 133.4 0.72 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.418 0.687 . . . . 99.99 109.841 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.474 ' HB ' ' HB2' ' B' ' 129' ' ' ALA . 15.7 m -90.73 136.52 33.01 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.682 -0.858 . . . . 99.99 108.682 173.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.85 164.64 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.99 0.516 . . . . 99.99 111.143 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.95 165.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.031 1.333 . . . . 99.99 109.753 168.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' B' ' 42' ' ' LEU . 7.5 mp 60.98 -173.1 0.13 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.024 1.33 . . . . 99.99 113.15 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.71 -165.4 2.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.477 1.111 . . . . 99.99 108.73 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.12 -28.73 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.652 0.381 . . . . 99.99 111.087 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mp 66.61 77.95 0.26 Allowed Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 124.301 1.041 . . . . 99.99 111.33 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -82.61 56.37 5.67 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 123.004 2.469 . . . . 99.99 110.813 171.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.532 HD12 ' N ' ' E' ' 14' ' ' LEU . 1.5 pp -117.24 -39.94 3.15 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.265 1.026 . . . . 99.99 110.025 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.532 ' N ' HD12 ' E' ' 13' ' ' LEU . 3.6 mm? 64.11 119.64 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 125.214 1.406 . . . . 99.99 112.788 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.59 145.12 41.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.247 0.619 . . . . 99.99 109.488 167.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.55 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 40.1 m -142.42 -49.23 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 123.162 0.585 . . . . 99.99 110.355 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.55 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 60.3 Cg_endo -98.32 158.85 0.79 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.039 1.826 . . . . 99.99 112.039 163.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.64 -19.59 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 CA-C-O 121.436 0.636 . . . . 99.99 109.37 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' THR . . . . . 0.424 HG22 ' HB2' ' E' ' 17' ' ' PRO . 14.6 t -83.46 -19.43 35.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.433 1.093 . . . . 99.99 112.055 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -152.43 177.18 10.87 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.836 0.854 . . . . 99.99 111.031 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.37 171.2 10.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.578 1.151 . . . . 99.99 109.051 171.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -90.57 158.5 16.95 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.169 0.588 . . . . 99.99 111.382 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 44.5 p -94.24 141.45 23.59 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 170.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.26 135.67 12.22 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.281 1.987 . . . . 99.99 112.437 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -71.22 148.97 46.72 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 166.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 26' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' E' ' 353' ' ' HIS . 55.2 ttm -39.06 95.69 0.1 OUTLIER Pre-proline 0 N--CA 1.502 2.135 0 C-N-CA 125.538 1.535 . . . . 99.99 114.042 -168.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.53 -13.88 3.28 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.172 2.581 . . . . 99.99 113.779 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.96 -32.45 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 119.023 -0.513 . . . . 99.99 111.78 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 59.23 -81.84 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.131 0.894 . . . . 99.99 109.412 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -70.88 0.73 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 166.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -148.75 93.83 2.18 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.616 0.766 . . . . 99.99 109.761 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 59.73 7.95 1.2 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.206 1.402 . . . . 99.99 112.274 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 178.94 167.48 0.93 Allowed 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.685 1.594 . . . . 99.99 108.925 -170.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.26 -52.73 20.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.056 0.542 . . . . 99.99 110.141 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 66.1 -73.21 0.07 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.074 1.35 . . . . 99.99 111.794 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.81 131.04 7.18 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 109.948 -1.261 . . . . 99.99 109.948 -173.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.82 83.59 0.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.331 1.062 . . . . 99.99 110.797 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 tp -88.94 101.38 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 107.366 -1.346 . . . . 99.99 107.366 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -77.47 74.13 4.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.783 0.802 . . . . 99.99 109.801 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.52 67.64 1.39 Allowed Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 108.686 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.23 120.42 6.98 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.444 2.096 . . . . 99.99 110.961 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.7 134.26 44.21 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.301 0.376 . . . . 99.99 112.188 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.71 -69.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 N-CA-C 112.137 -0.385 . . . . 99.99 112.137 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.94 26.11 6.0 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.306 1.042 . . . . 99.99 112.277 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 73.16 -58.39 0.6 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.947 1.699 . . . . 99.99 110.124 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -141.43 104.17 4.54 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.813 0.845 . . . . 99.99 109.198 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.85 -86.68 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.085 0.554 . . . . 99.99 110.071 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 48' ' ' THR . . . . . 0.462 ' HA ' ' HD2' ' E' ' 2' ' ' LYS . 14.4 t 37.11 37.98 0.09 Allowed 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 126.345 1.858 . . . . 99.99 114.972 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.73 139.32 26.18 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.917 -0.583 . . . . 99.99 111.735 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -80.19 85.89 5.67 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.968 0.89 . . . . 99.99 111.862 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -88.12 -14.23 39.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.03 -1.441 . . . . 99.99 108.052 161.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -44.45 -16.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 128.076 2.55 . . . . 99.99 115.328 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.09 22.93 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.019 0.928 . . . . 99.99 112.844 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.55 44.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.541 0.736 . . . . 99.99 112.099 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' E' ' 58' ' ' SER . 0.2 OUTLIER 64.12 22.07 12.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 125.267 1.427 . . . . 99.99 111.384 177.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.72 -79.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 126.914 2.086 . . . . 99.99 111.646 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.74 -61.0 2.0 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.252 1.421 . . . . 99.99 110.889 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 58' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' E' ' 55' ' ' LEU . 36.0 t 44.51 79.26 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.472 1.509 . . . . 99.99 113.062 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.06 -55.05 0.15 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.182 0.193 . . . . 99.99 111.434 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -155.65 -163.02 1.42 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.848 0.859 . . . . 99.99 109.27 -174.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.87 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.616 0.766 . . . . 99.99 109.387 170.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' E' ' 305' ' ' ALA . 0.5 OUTLIER -166.25 108.76 0.7 Allowed Pre-proline 0 CA--C 1.543 0.689 0 CA-C-O 118.435 -0.793 . . . . 99.99 109.543 175.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.44 100.72 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.196 2.597 . . . . 99.99 113.338 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.46 -179.66 2.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.308 1.443 . . . . 99.99 108.64 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' E' ' 308' ' ' CYS . 0.0 OUTLIER -154.26 91.67 1.45 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.307 -0.997 . . . . 99.99 108.307 171.217 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.79 157.43 18.08 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.239 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' B' ' 104' ' ' ASN . 15.6 tt -50.33 -55.5 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.26 0.624 . . . . 99.99 111.86 -174.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 36.9 mm 56.93 105.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.515 1.126 . . . . 99.99 111.728 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' D' ' 130' ' ' PRO . 2.3 mm? -75.76 83.08 2.73 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.459 -0.791 . . . . 99.99 110.94 -172.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -100.68 84.37 2.72 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.097 -1.446 . . . . 99.99 107.097 171.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' D' ' 131' ' ' VAL . 42.1 pt -87.31 8.6 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 N-CA-C 112.633 0.605 . . . . 99.99 112.633 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.78 -118.4 0.44 Allowed Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.664 -0.574 . . . . 99.99 111.664 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.17 137.01 35.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.936 0.894 . . . . 99.99 111.021 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.59 139.01 5.43 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.869 -0.892 . . . . 99.99 110.869 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.44 158.1 38.26 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.444 0.697 . . . . 99.99 110.362 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 76' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' E' ' 315' ' ' ASN . . . -136.54 122.87 2.73 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 110.805 -0.918 . . . . 99.99 110.805 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.36 148.06 35.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.278 0.539 . . . . 99.99 111.076 -172.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 39.7 m -59.03 -27.86 65.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.525 1.13 . . . . 99.99 113.346 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.653 ' HG3' HG13 ' E' ' 80' ' ' ILE . 8.2 pt-20 -48.64 -42.06 33.13 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.486 1.114 . . . . 99.99 112.955 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.653 HG13 ' HG3' ' E' ' 79' ' ' GLU . 57.3 mt -95.17 103.31 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 95.4 m -122.12 140.37 52.63 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.218 -1.031 . . . . 99.99 108.218 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.65 77.94 0.19 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.099 0.96 . . . . 99.99 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 179.42 -44.17 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.13 1.372 . . . . 99.99 108.65 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.35 80.84 2.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.721 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -160.87 105.09 1.36 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.969 . . . . 99.99 108.963 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -167.92 156.21 8.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.575 1.15 . . . . 99.99 108.953 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 75.13 -59.79 0.53 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.662 1.585 . . . . 99.99 111.993 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 88' ' ' GLU . . . . . 0.631 ' HG3' ' HA3' ' E' ' 96' ' ' GLY . 1.7 mp0 -65.17 95.74 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.33 1.052 . . . . 99.99 111.426 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 89' ' ' GLY . . . . . 0.51 ' HA2' ' HD1' ' E' ' 94' ' ' PHE . . . 174.03 -145.44 8.14 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.142 -0.481 . . . . 99.99 113.034 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 76.82 -70.19 0.14 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.279 1.431 . . . . 99.99 114.142 168.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.21 87.56 0.32 Allowed Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.891 0.716 . . . . 99.99 114.891 -167.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.93 -69.78 2.62 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 123.916 0.421 . . . . 99.99 112.442 176.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -116.24 -82.23 0.62 Allowed 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 108.596 -0.891 . . . . 99.99 108.596 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 94' ' ' PHE . . . . . 0.51 ' HD1' ' HA2' ' E' ' 89' ' ' GLY . 60.4 m-85 -149.17 168.17 23.96 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.215 1.006 . . . . 99.99 110.702 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -149.82 155.76 40.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.48 1.112 . . . . 99.99 109.666 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 96' ' ' GLY . . . . . 0.631 ' HA3' ' HG3' ' E' ' 88' ' ' GLU . . . 106.75 34.29 3.08 Favored Glycine 0 N--CA 1.472 1.073 0 N-CA-C 114.472 0.549 . . . . 99.99 114.472 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.728 ' HB ' ' HA ' ' D' ' 87' ' ' ALA . 6.4 tt -115.7 134.65 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 108.298 -1.001 . . . . 99.99 108.298 170.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.13 -69.76 0.27 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.968 0.507 . . . . 99.99 110.911 -171.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 99' ' ' ALA . . . . . 0.463 ' HB3' ' SD ' ' D' ' 94' ' ' MET . . . -92.62 -156.98 0.5 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 170.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -168.45 -53.35 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.642 -0.694 . . . . 99.99 111.77 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.3 165.41 30.53 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.146 1.897 . . . . 99.99 114.02 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.465 HD23 ' HB1' ' D' ' 95' ' ' ALA . 81.7 mt -68.54 -30.07 68.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.02 0.928 . . . . 99.99 111.333 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 68.8 p 58.27 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.492 1.917 . . . . 99.99 114.165 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.09 92.7 0.09 OUTLIER Glycine 0 CA--C 1.533 1.197 0 C-N-CA 123.229 0.443 . . . . 99.99 113.594 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 63.27 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.603 1.561 . . . . 99.99 111.809 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 106' ' ' TYR . . . . . 0.436 ' HB3' HG23 ' D' ' 46' ' ' THR . 95.0 m-85 -135.9 -56.07 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.42 1.088 . . . . 99.99 108.523 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 3.6 t -151.7 61.88 0.87 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 64.64 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.399 -1.273 . . . . 99.99 110.569 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -74.41 155.82 37.67 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.93 0.892 . . . . 99.99 109.746 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -19.03 64.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.933 0.893 . . . . 99.99 112.351 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 32.6 tp 78.05 -53.6 0.5 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.407 1.883 . . . . 99.99 111.3 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 66.67 -172.78 0.19 Allowed 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.34 1.056 . . . . 99.99 111.453 173.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.51 164.3 19.22 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.375 1.07 . . . . 99.99 109.886 -170.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 114' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' D' ' 41' ' ' LYS . 79.2 tttt -69.39 154.26 42.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.416 0.687 . . . . 99.99 110.277 174.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 83.06 -47.06 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.859 1.664 . . . . 99.99 110.791 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.82 -43.58 83.19 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 110.65 -0.98 . . . . 99.99 110.65 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 87.14 46.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.277 1.031 . . . . 99.99 108.487 167.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -96.37 34.86 0.13 Allowed 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.944 3.096 . . . . 99.99 112.4 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.22 -66.08 0.73 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.057 0.543 . . . . 99.99 110.881 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.575 ' HB3' HD12 ' D' ' 136' ' ' LEU . 33.5 t80 -99.86 -24.5 14.65 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.917 -0.583 . . . . 99.99 110.356 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.73 89.83 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.255 1.026 . . . . 99.99 110.01 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 25.8 m -120.88 151.04 40.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.939 -1.028 . . . . 99.99 108.99 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -75.82 157.71 33.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.168 0.587 . . . . 99.99 110.225 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -161.17 123.5 3.08 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 64.49 -158.83 0.3 Allowed 'General case' 0 CA--C 1.555 1.153 0 O-C-N 124.338 1.024 . . . . 99.99 110.672 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 66.27 72.19 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.911 0.884 . . . . 96.83 111.391 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 55.0 m -139.24 129.45 25.35 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.727 -0.669 . . . . 99.99 110.994 -175.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -165.76 -171.68 2.14 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.74 1.216 . . . . 74.48 109.755 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.4 t -130.93 160.92 33.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.386 0.674 . . . . 99.99 110.497 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.39 152.65 28.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.715 -0.675 . . . . 99.99 110.028 174.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' D' ' 122' ' ' THR . 59.9 p-90 -115.33 169.39 9.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.681 0.792 . . . . 99.99 110.487 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 41.5 m -139.03 -42.93 0.47 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.793 0.837 . . . . 99.99 111.468 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 71.4 p 55.8 173.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 126.536 1.934 . . . . 99.99 113.627 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.56 44.04 1.44 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.97 -0.559 . . . . 89.58 112.342 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 129' ' ' ALA . 59.6 t -72.83 93.7 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.233 0.613 . . . . 99.99 109.441 177.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -128.56 32.73 4.78 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.672 0.789 . . . . 99.99 110.222 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 36.7 m -141.59 91.65 2.39 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.371 0.668 . . . . 99.99 109.503 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 138' ' ' TYR . . . . . 0.467 ' HD1' ' HD2' ' A' ' 130' ' ' PRO . 69.8 t80 -164.54 150.93 10.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.211 0.605 . . . . 99.99 110.815 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -171.15 148.07 2.65 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.092 -1.447 . . . . 99.99 107.092 168.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -168.69 116.82 0.68 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 112.135 -0.386 . . . . 99.99 112.135 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.4 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . . . -116.08 116.0 27.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.744 0.818 . . . . 99.99 110.047 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 68.5 tp -157.38 110.26 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.01 -1.107 . . . . 99.99 108.01 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.99 175.4 47.66 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.524 0.515 . . . . 99.99 114.299 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.44 150.87 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 125.374 1.469 . . . . 99.99 111.839 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.38 160.84 3.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.593 1.157 . . . . 99.99 112.701 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.29 104.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 114.765 -1.107 . . . . 99.99 110.558 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 147' ' ' HIS . . . . . 0.568 ' H ' HG21 ' C' ' 92' ' ' THR . 38.5 p-80 -140.58 132.6 27.81 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.68 -1.23 . . . . 99.99 107.68 172.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 57.64 78.56 0.23 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.046 0.927 . . . . 99.99 110.767 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 149' ' ' LYS . . . . . 0.44 ' HG2' ' HA3' ' C' ' 91' ' ' GLY . 10.6 tmtt? -122.21 98.13 5.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.265 -1.754 . . . . 99.99 106.265 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.68 161.9 29.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.412 0.685 . . . . 99.99 109.226 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 64.04 72.69 0.51 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.852 1.261 . . . . 99.99 111.707 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.78 138.63 23.86 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.355 2.037 . . . . 99.99 111.394 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.9 p 52.52 46.7 26.2 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.39 1.476 . . . . 99.99 112.59 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.7 tt -88.81 -29.85 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.419 -0.81 . . . . 99.99 112.853 -174.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.564 HD23 HD12 ' E' ' 277' ' ' LEU . 26.9 tp -88.34 -8.85 54.45 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.87 1.063 . . . . 99.99 113.87 -160.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.65 4.11 8.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.509 -0.744 . . . . 99.99 112.408 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.6 mtt 76.21 -61.78 0.44 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.77 1.628 . . . . 99.99 111.339 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -149.19 169.38 20.86 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.659 1.184 . . . . 99.99 108.914 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -70.07 -50.71 38.34 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.416 0.627 . . . . 99.99 109.498 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.05 -14.85 59.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.702 -0.681 . . . . 99.99 110.931 171.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.911 1.684 . . . . 99.99 110.27 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -80.2 35.24 2.17 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.279 0.471 . . . . 99.99 114.279 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 mp -110.74 -72.83 0.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.995 0.918 . . . . 99.99 108.803 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 58.98 98.71 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.794 1.237 . . . . 99.99 110.998 -172.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 6.0 m -82.79 143.96 30.48 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.115 0.566 . . . . 99.99 110.404 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 110.56 146.56 10.93 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 110.77 -0.932 . . . . 99.99 110.77 -172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 167' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' E' ' 171' ' ' ALA . 95.1 m-20 68.73 -67.98 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 125.346 1.458 . . . . 99.99 111.809 -176.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 t -63.07 -22.4 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.695 1.198 . . . . 99.99 111.043 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 19.3 p -87.6 43.07 1.08 Allowed 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.991 0.916 . . . . 99.99 110.61 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 79.7 p 50.06 88.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.201 1.801 . . . . 99.99 112.783 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 171' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' E' ' 167' ' ' ASN . . . -69.75 145.61 52.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.359 0.664 . . . . 99.99 110.66 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -141.05 141.06 34.32 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.415 0.686 . . . . 99.99 110.064 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 173' ' ' LEU . . . . . 0.633 HD23 ' H ' ' E' ' 173' ' ' LEU . 1.2 pt? -90.63 129.32 36.77 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 174.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.405 HE22 ' HB2' ' E' ' 176' ' ' ALA . 16.1 tm0? -82.84 116.77 22.31 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.37 -61.47 1.7 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.372 0.669 . . . . 99.99 110.881 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 176' ' ' ALA . . . . . 0.405 ' HB2' HE22 ' E' ' 174' ' ' GLN . . . 73.05 -18.88 0.34 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.249 1.42 . . . . 99.99 113.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 30.1 m 56.87 82.68 0.23 Allowed Pre-proline 0 CA--C 1.556 1.211 0 C-N-CA 125.087 1.355 . . . . 99.99 111.192 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.53 -65.79 0.1 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.953 2.435 . . . . 99.99 111.488 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 66.14 -7.54 0.39 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 115.408 1.633 . . . . 99.99 115.408 167.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.92 -161.91 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.387 1.075 . . . . 99.99 111.62 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 97.9 mt -107.33 124.39 49.74 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 171.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.12 107.0 11.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.353 0.661 . . . . 99.99 110.313 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.19 74.85 1.52 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.987 0.915 . . . . 99.99 109.713 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -147.95 -60.14 0.26 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.436 1.094 . . . . 99.99 108.371 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 51.4 t 54.94 80.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 124.973 1.309 . . . . 99.99 111.615 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 7.7 m 69.52 -73.9 0.09 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.561 1.544 . . . . 99.99 112.986 165.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.1 p -84.69 -81.81 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.051 0.54 . . . . 99.99 109.996 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -150.48 -17.76 0.23 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.953 0.501 . . . . 99.99 110.57 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -163.12 -59.02 0.04 OUTLIER 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.702 0.801 . . . . 99.99 109.767 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 190' ' ' CYS . . . . . 0.418 ' O ' HG21 ' E' ' 232' ' ' THR . 94.3 m 73.85 -38.19 0.39 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.914 1.686 . . . . 99.99 112.84 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -61.92 94.59 0.05 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.618 0.767 . . . . 99.99 110.176 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -178.42 93.07 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 99.99 110.472 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.59 -24.22 74.32 Favored 'Trans proline' 0 C--N 1.382 2.313 0 C-N-CA 123.407 2.738 . . . . 99.99 113.096 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 21.2 m 76.76 -56.95 0.54 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.771 1.628 . . . . 99.99 112.784 171.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -73.21 -96.06 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 118.484 -0.769 . . . . 99.99 109.929 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 20.4 p 38.0 63.69 0.78 Allowed 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.637 1.175 . . . . 99.99 111.718 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 38.9 m -60.22 -35.31 75.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.259 -0.882 . . . . 99.99 112.572 -167.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 12.3 pt-20 39.79 -71.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 127.486 2.314 . . . . 99.99 115.548 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 57.7 tptt -70.19 -37.85 75.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.226 1.011 . . . . 99.99 111.335 -177.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.82 -47.81 80.48 Favored Pre-proline 0 CA--C 1.566 1.567 0 N-CA-C 113.604 0.965 . . . . 99.99 113.604 -172.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.96 85.42 1.77 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 121.982 1.788 . . . . 99.99 110.735 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -146.82 -59.1 0.02 OUTLIER Glycine 0 C--N 1.342 0.889 0 N-CA-C 110.864 -0.894 . . . . 99.99 110.864 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 64.26 -173.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.979 1.311 . . . . 99.99 111.179 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -67.88 101.13 1.04 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.418 0.687 . . . . 99.99 110.501 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.43 119.41 12.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.382 0.673 . . . . 99.99 110.578 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 66.36 109.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.843 1.257 . . . . 99.99 112.86 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -149.62 171.23 16.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.013 1.325 . . . . 99.99 107.74 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -58.81 84.77 0.01 OUTLIER Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.026 0.346 . . . . 99.99 112.652 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -84.16 65.84 4.02 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.217 -0.753 . . . . 99.99 111.217 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -99.96 164.61 11.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 99.99 109.404 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.2 -165.74 20.53 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 111.036 -0.826 . . . . 99.99 111.036 166.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.3 m 68.39 4.44 4.24 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.323 1.049 . . . . 99.99 112.712 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.4 mt -93.57 -26.28 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.098 0.959 . . . . 99.99 110.035 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 26.1 m 78.27 -48.05 0.46 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.235 1.814 . . . . 99.99 111.74 -175.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.75 -11.55 59.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.562 1.145 . . . . 99.99 113.135 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -63.79 -15.43 58.71 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.195 0.598 . . . . 99.99 112.253 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 78.2 mt -72.21 -2.58 19.35 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.38 0.672 . . . . 99.99 112.475 176.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.45 94.7 0.09 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.275 0.63 . . . . 99.99 109.707 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 219' ' ' ASN . . . . . 0.434 ' HA ' HH11 ' E' ' 221' ' ' ARG . 6.7 p30 -92.2 15.24 14.03 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.263 -0.881 . . . . 99.99 111.203 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -99.3 116.38 31.34 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.564 0.745 . . . . 99.99 109.993 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.434 HH11 ' HA ' ' E' ' 219' ' ' ASN . 0.0 OUTLIER -140.53 -69.33 0.4 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.768 0.827 . . . . 99.99 109.826 175.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -100.01 -8.34 23.97 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.863 0.865 . . . . 99.99 112.537 -170.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.57 92.96 0.87 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 99.99 110.254 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 11.2 p -136.21 167.87 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 123.977 0.911 . . . . 99.99 109.501 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 42.5 m -49.27 116.81 1.85 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.784 1.233 . . . . 99.99 111.278 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 226' ' ' LEU . . . . . 0.41 ' H ' HD23 ' E' ' 226' ' ' LEU . 2.4 pt? -60.93 150.55 32.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.911 0.884 . . . . 99.99 111.458 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -89.82 6.66 82.78 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.232 -0.44 . . . . 99.99 113.268 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -85.34 56.56 4.95 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.887 0.343 . . . . 99.99 113.184 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 62.35 46.93 92.86 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 123.304 0.478 . . . . 99.99 112.983 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -73.26 -15.64 61.42 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.882 0.697 . . . . 99.99 112.882 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -134.29 -72.75 0.48 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.73 -0.841 . . . . 99.99 108.73 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.466 HG22 ' H ' ' E' ' 233' ' ' PHE . 3.0 m -87.66 175.65 7.79 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 109.009 -0.738 . . . . 99.99 109.009 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 233' ' ' PHE . . . . . 0.466 ' H ' HG22 ' E' ' 232' ' ' THR . 94.4 m-85 76.97 -71.74 0.11 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.497 1.519 . . . . 99.99 111.063 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.35 158.22 0.13 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.233 1.413 . . . . 99.99 111.146 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 66.73 -73.74 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.83 1.252 . . . . 99.99 110.344 -172.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 9.0 t -159.69 169.68 23.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.975 1.31 . . . . 99.99 109.202 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -110.42 86.65 2.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.03 0.932 . . . . 99.99 108.611 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 71.5 m -140.9 -63.26 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.382 0.673 . . . . 99.99 110.197 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -151.1 110.93 4.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.289 0.636 . . . . 99.99 109.362 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -61.39 -25.88 65.54 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 123.655 0.597 . . . . 99.99 113.445 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -153.72 162.07 41.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.919 0.887 . . . . 99.99 108.976 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 36.2 p90 -129.35 161.73 29.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 99.99 109.639 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 243' ' ' GLN . . . . . 0.449 ' HB3' HD21 ' E' ' 247' ' ' LEU . 75.6 mt-30 64.4 -149.7 0.28 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.974 0.91 . . . . 99.99 111.651 176.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 132.96 -130.18 5.69 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 111.408 -0.677 . . . . 99.99 111.408 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -84.69 7.35 20.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.293 0.637 . . . . 99.99 110.672 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' E' ' 251' ' ' ALA . 5.2 m -77.51 0.94 20.95 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 125.559 1.544 . . . . 99.99 111.753 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' E' ' 243' ' ' GLN . 4.4 mm? -90.92 -17.39 26.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 117.857 -1.068 . . . . 99.99 113.737 -173.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -52.3 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -155.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.02 -69.11 0.85 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.95 1.705 . . . . 99.99 111.495 146.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -86.5 -79.54 0.26 Allowed 'General case' 0 C--N 1.372 1.544 0 N-CA-C 109.733 -0.469 . . . . 99.99 109.733 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 251' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' E' ' 246' ' ' THR . . . -109.65 -77.95 0.59 Allowed 'General case' 0 C--N 1.362 1.121 0 CA-C-N 118.917 0.78 . . . . 99.99 110.71 152.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -102.19 -32.8 9.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.812 1.245 . . . . 99.99 112.135 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -42.56 -37.19 1.58 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.056 1.873 . . . . 99.99 116.056 -151.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -77.19 129.2 35.64 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.837 0.351 . . . . 99.99 111.529 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -79.28 98.63 1.64 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.544 -1.822 . . . . 99.99 108.544 163.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -52.03 120.11 5.04 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.209 1.004 . . . . 99.99 111.26 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 65.13 12.74 8.22 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.485 1.114 . . . . 99.99 112.264 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.16 89.5 5.44 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 106.853 -1.536 . . . . 99.99 106.853 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.72 -27.06 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.928 -1.033 . . . . 99.99 111.35 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 33.7 m 75.38 -56.29 0.61 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.508 1.523 . . . . 99.99 111.125 -175.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.69 53.81 2.83 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.499 0.719 . . . . 99.99 110.744 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.86 61.43 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.792 0.837 . . . . 99.99 109.597 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.8 -16.72 53.02 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.311 1.044 . . . . 99.99 111.816 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 46.3 m 66.09 35.32 6.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.029 1.331 . . . . 99.99 111.345 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 58.8 tp 70.77 -72.33 0.11 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.288 1.435 . . . . 99.99 112.719 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 75.85 -42.44 0.46 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.938 1.695 . . . . 99.99 113.072 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 38.7 p -77.3 81.25 3.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.436 0.695 . . . . 99.99 110.698 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 2.8 p -166.35 96.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.47 1.108 . . . . 99.99 108.783 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 269' ' ' THR . . . . . 0.592 HG23 ' HG3' ' E' ' 432' ' ' GLN . 30.7 p 46.48 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.164 1.386 . . . . 99.99 112.995 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.84 114.95 1.29 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.232 0.613 . . . . 99.99 110.852 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.26 61.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.624 1.17 . . . . 99.99 112.769 -172.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.76 -29.95 62.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 99.99 111.271 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -89.12 -53.59 4.5 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.736 0.815 . . . . 99.99 110.599 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.08 -39.42 10.61 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.806 0.669 . . . . 99.99 112.806 -167.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -95.65 125.75 48.04 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 112.198 0.444 . . . . 99.99 112.198 -159.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -96.58 -178.6 0.4 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.699 2.933 . . . . 99.99 113.118 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.621 HD13 ' H ' ' E' ' 278' ' ' LEU . 0.2 OUTLIER -164.97 165.94 19.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.734 0.813 . . . . 99.99 109.853 177.246 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.621 ' H ' HD13 ' E' ' 277' ' ' LEU . 1.9 tt -118.76 142.44 47.69 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.917 1.287 . . . . 99.99 109.58 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 279' ' ' GLY . . . . . 0.415 ' N ' HD23 ' E' ' 278' ' ' LEU . . . -152.86 71.6 0.28 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 123.538 0.524 . . . . 99.99 111.929 173.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -169.22 94.08 0.3 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.326 0.65 . . . . 99.99 110.116 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.694 ' HB2' HD21 ' C' ' 98' ' ' LEU . 42.9 t80 -174.63 64.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.937 0.895 . . . . 99.99 108.927 171.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -168.84 -170.91 1.25 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.539 -0.755 . . . . 99.99 110.384 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.96 13.34 7.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.687 1.195 . . . . 99.99 112.018 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 124.73 177.84 15.1 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 116.187 -0.46 . . . . 99.99 112.303 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 285' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' C' ' 45' ' ' ASP . 7.2 t30 -149.88 154.57 38.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.439 0.695 . . . . 99.99 110.339 -176.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.426 ' HB2' HD12 ' C' ' 136' ' ' LEU . 2.7 mpp? -58.28 118.88 30.78 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.673 1.189 . . . . 99.99 110.295 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 287' ' ' PRO . . . . . 0.576 ' HD2' ' HD1' ' C' ' 140' ' ' TYR . 18.3 Cg_endo -57.8 107.23 0.29 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.676 2.251 . . . . 99.99 111.327 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.513 ' HA ' HD11 ' C' ' 136' ' ' LEU . 60.7 t -63.98 97.04 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.065 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.562 ' HB2' ' HB3' ' C' ' 145' ' ' ALA . 3.6 ppt_? -65.27 111.2 2.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.252 -0.886 . . . . 99.99 108.723 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.579 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 -87.96 153.66 21.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.18 -0.918 . . . . 99.99 110.748 -174.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 160.91 -150.33 20.11 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -59.45 135.15 62.98 Favored 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 123.511 2.808 . . . . 99.99 112.912 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -155.13 83.41 1.07 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.244 0.618 . . . . 99.99 110.371 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 44.02 33.51 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.484 1.513 . . . . 99.99 114.752 165.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 7.5 m -69.5 -21.55 63.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.971 0.909 . . . . 99.99 112.295 -168.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.98 31.28 1.6 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.322 0.582 . . . . 99.99 109.494 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -92.08 75.77 5.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.142 -1.059 . . . . 99.99 108.142 173.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.12 27.02 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.013 -0.539 . . . . 99.99 113.369 -172.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -95.31 -30.42 13.96 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.845 0.858 . . . . 99.99 110.936 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 41.6 mt 73.51 130.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 125.021 1.329 . . . . 99.99 111.813 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.44 107.85 2.18 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 122.735 0.414 . . . . 99.99 110.051 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.54 ' HD3' ' HB2' ' E' ' 3' ' ' GLN . 0.0 OUTLIER -145.75 107.56 4.34 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.359 -0.608 . . . . 99.99 109.359 163.23 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.52 ' HB3' ' HB1' ' B' ' 129' ' ' ALA . 64.7 Cg_endo -80.02 -166.76 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 122.798 2.332 . . . . 99.99 111.905 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' E' ' 62' ' ' LYS . . . -149.57 80.03 1.39 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 106.85 -1.537 . . . . 99.99 106.85 170.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.448 HG11 ' H ' ' B' ' 132' ' ' ASN . 14.9 m -141.4 123.99 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.059 0.944 . . . . 99.99 110.228 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 67.1 m -135.87 145.59 46.53 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.226 -1.027 . . . . 99.99 108.226 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' E' ' 65' ' ' LYS . 17.1 p -69.41 115.21 8.41 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 34.1 m -84.31 106.87 9.11 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.766 0.826 . . . . 99.99 109.849 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 310' ' ' PRO . . . . . 0.409 ' HG2' HG22 ' E' ' 80' ' ' ILE . 84.8 Cg_endo -88.85 139.73 3.92 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 123.126 2.551 . . . . 99.99 112.582 -176.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.85 71.96 9.58 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 115.33 -0.85 . . . . 99.99 109.497 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -92.65 129.38 0.87 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.953 2.435 . . . . 99.99 112.111 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 313' ' ' GLN . . . . . 0.622 ' H ' HG22 ' E' ' 318' ' ' VAL . 1.6 tm0? -71.86 -46.02 59.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 175.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -117.03 -98.94 0.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 315' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' E' ' 76' ' ' GLY . 86.0 m-20 -142.8 13.2 1.89 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.993 0.917 . . . . 99.99 109.376 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -158.45 -152.98 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.967 0.907 . . . . 99.99 109.746 -162.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 16.0 m -56.92 116.78 3.39 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.615 1.166 . . . . 99.99 111.801 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 318' ' ' VAL . . . . . 0.622 HG22 ' H ' ' E' ' 313' ' ' GLN . 99.6 t -75.26 133.32 75.0 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 173.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.62 89.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.769 2.313 . . . . 99.99 112.205 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 88.2 m -97.3 119.63 36.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.937 -1.029 . . . . 99.99 108.762 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.57 -85.33 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.999 -0.741 . . . . 99.99 108.999 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 44.66 42.11 5.51 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.17 0.988 . . . . 99.99 111.199 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 323' ' ' GLN . . . . . 0.454 ' HB2' HG12 ' E' ' 329' ' ' ILE . 18.9 pt20 -103.05 -34.4 8.91 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.658 -1.155 . . . . 99.99 110.078 -171.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.413 ' HG3' ' HG3' ' E' ' 323' ' ' GLN . 63.4 mtt -88.75 22.23 2.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.171 0.988 . . . . 99.99 110.239 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.2 t -77.58 73.5 4.14 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.024 0.916 . . . . 99.99 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 11.3 t70 72.52 -27.17 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.264 1.426 . . . . 99.99 113.433 170.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.746 ' HG3' HD12 ' E' ' 331' ' ' LEU . 14.2 ttmm -166.49 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 115.109 1.522 . . . . 99.99 115.109 -156.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -40.33 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.744 1.217 . . . . 99.99 114.163 -160.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' E' ' 323' ' ' GLN . 2.9 pp -86.96 -21.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.244 0.218 . . . . 99.99 110.84 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.06 -51.68 55.88 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 99.99 112.136 -165.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.746 HD12 ' HG3' ' E' ' 327' ' ' LYS . 82.8 mt -88.86 1.31 55.54 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.04 0.536 . . . . 99.99 111.719 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' E' ' 333' ' ' SER . 1.1 pt? 33.69 -69.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 127.868 2.467 . . . . 99.99 116.448 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 333' ' ' SER . . . . . 0.423 ' H ' ' HG ' ' E' ' 332' ' ' LEU . 24.1 m -59.46 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.391 1.076 . . . . 99.99 112.389 -174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' E' ' 334' ' ' LYS . 0.1 OUTLIER 164.06 -164.38 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.058 2.143 . . . . 99.99 107.755 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -117.85 174.29 6.27 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.196 0.598 . . . . 99.99 109.912 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 336' ' ' GLU . . . . . 0.477 ' HG2' ' HG3' ' B' ' 90' ' ' GLU . 0.0 OUTLIER -59.75 -25.57 64.97 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.706 1.202 . . . . 99.99 112.178 178.353 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -84.16 62.76 7.29 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.743 0.783 . . . . 99.99 109.108 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -90.33 45.85 2.99 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.579 -0.737 . . . . 99.99 111.361 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -98.14 124.12 42.52 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 108.511 -0.922 . . . . 99.99 108.511 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -61.26 -27.33 68.38 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.657 0.598 . . . . 99.99 111.073 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.5 pp 53.45 9.04 0.15 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 127.082 2.153 . . . . 99.99 114.757 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -88.32 68.14 8.86 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 107.668 -1.234 . . . . 99.99 107.668 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 32.2 m -106.18 143.95 16.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 114.925 -1.034 . . . . 99.99 109.725 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.46 145.39 55.04 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 108.326 -0.99 . . . . 99.99 108.326 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.54 -57.22 18.95 Favored Glycine 0 C--N 1.347 1.158 0 O-C-N 123.355 0.409 . . . . 99.99 112.41 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 178.2 -76.96 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.659 1.184 . . . . 99.99 109.463 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 69.9 m 52.25 24.69 2.95 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.663 1.185 . . . . 99.99 112.806 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.88 156.51 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.37 0.605 . . . . 99.99 111.734 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -108.08 154.05 22.25 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.622 1.169 . . . . 99.99 108.965 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.27 -50.98 68.12 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.098 0.874 . . . . 99.99 109.422 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 61.54 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.292 1.437 . . . . 99.99 113.176 167.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.18 -35.5 8.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.85 1.26 . . . . 99.99 110.044 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 353' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' E' ' 26' ' ' MET . 50.3 m170 -82.7 -2.36 53.92 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.896 0.879 . . . . 99.99 112.518 -174.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -63.17 97.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.231 0.613 . . . . 99.99 110.133 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.01 40.26 18.97 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.32 1.048 . . . . 99.99 112.037 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -66.25 -48.0 59.26 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-O 118.333 -0.841 . . . . 99.99 112.51 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.56 85.31 0.59 Allowed 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 121.893 1.729 . . . . 99.99 111.636 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.5 -56.37 4.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.121 0.969 . . . . 99.99 110.987 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 89.12 74.54 1.29 Allowed Glycine 0 C--N 1.347 1.176 0 CA-C-N 116.152 -0.476 . . . . 99.99 112.032 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 69.72 -73.42 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.883 1.673 . . . . 99.99 111.85 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.445 ' H ' HD13 ' E' ' 361' ' ' ILE . 0.2 OUTLIER -133.89 5.69 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.146 0.978 . . . . 99.99 110.742 178.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -57.12 113.03 4.03 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 123.788 0.68 . . . . 99.99 112.483 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.52 -41.31 80.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.403 1.081 . . . . 99.99 110.94 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 80.1 p 47.53 70.3 0.43 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.439 1.496 . . . . 99.99 112.55 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.69 165.93 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.406 -0.815 . . . . 99.99 110.4 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.93 152.66 35.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.221 0.608 . . . . 99.99 111.373 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.84 -36.41 69.97 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.824 1.25 . . . . 99.99 113.019 -164.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 9.7 p-10 -61.0 -53.43 57.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.499 0.499 . . . . 99.99 110.107 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' E' ' 373' ' ' ARG . 43.1 tt0 -71.89 -33.84 68.66 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.508 0.723 . . . . 99.99 110.834 -176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.07 87.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.625 0.77 . . . . 99.99 110.614 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.66 -37.96 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.097 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 73.6 mt-30 -61.45 -58.89 6.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.116 0.566 . . . . 99.99 111.453 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' E' ' 369' ' ' GLU . 12.2 ptp180 -67.3 -40.32 86.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.338 0.655 . . . . 99.99 111.389 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 374' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' E' ' 378' ' ' ALA . . . -81.31 -14.87 56.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.964 0.905 . . . . 99.99 112.391 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -39.24 -58.65 1.15 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.372 1.869 . . . . 99.99 115.493 -159.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -77.6 0.28 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 118.466 -0.778 . . . . 99.99 112.34 -159.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -95.01 -88.92 0.24 Allowed 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.179 1.354 . . . . 99.99 110.735 171.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 378' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' E' ' 374' ' ' ALA . . . -106.06 -61.83 1.46 Allowed 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.2 1.4 . . . . 99.99 112.037 161.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.24 -38.4 14.26 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 113.42 -1.718 . . . . 99.99 114.991 -155.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.67 157.31 19.86 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.196 0.522 . . . . 99.99 111.57 -169.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.99 143.76 28.73 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.497 -1.229 . . . . 99.99 110.572 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -80.79 -77.74 0.97 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.233 -1.147 . . . . 99.99 110.233 170.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -164.98 81.87 0.36 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.547 1.139 . . . . 99.99 108.76 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 86.2 m -140.55 91.39 2.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.55 -0.75 . . . . 99.99 110.392 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.3 -78.83 0.44 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 106.918 -1.512 . . . . 99.99 106.918 167.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 23.3 m -127.18 137.28 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.761 1.224 . . . . 99.99 107.717 168.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 38.6 pt -88.19 103.64 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.28 0.562 . . . . 99.99 109.623 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.19 112.01 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-O 121.572 0.701 . . . . 99.99 109.413 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.3 t -142.85 123.01 13.71 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.847 -0.615 . . . . 99.99 111.585 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.46 91.93 5.41 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 167.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -123.76 144.57 49.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.576 0.751 . . . . 99.99 111.605 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 54.6 m80 65.96 167.09 0.2 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.317 1.447 . . . . 99.99 111.958 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -84.13 150.64 25.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.086 0.554 . . . . 99.99 111.434 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.64 -16.58 34.04 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.718 0.807 . . . . 99.99 112.25 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -136.2 -46.3 0.63 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.26 1.024 . . . . 99.99 109.632 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 40.3 t -75.81 82.68 2.75 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.391 -0.822 . . . . 99.99 110.382 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -67.28 131.65 46.16 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.398 -0.819 . . . . 99.99 109.276 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 5.0 tp -65.72 94.41 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 122.084 0.945 . . . . 99.99 110.628 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.39 -44.6 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 114.451 -1.25 . . . . 99.99 109.449 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 58.11 97.71 0.04 OUTLIER Pre-proline 0 C--N 1.36 1.063 0 C-N-CA 125.393 1.477 . . . . 99.99 111.254 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.5 129.18 31.33 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.329 2.02 . . . . 99.99 111.665 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.5 -43.57 98.63 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.989 0.916 . . . . 99.99 110.938 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.7 m 63.2 85.02 0.14 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.855 1.262 . . . . 99.99 111.02 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -152.93 112.83 3.93 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 -177.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -103.92 128.66 26.77 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.425 0.69 . . . . 99.99 110.853 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.26 158.32 57.53 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.524 2.149 . . . . 99.99 111.843 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 162.73 -138.36 5.31 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.789 -0.925 . . . . 99.99 110.789 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 69.15 -69.97 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.497 1.519 . . . . 99.99 111.24 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.6 t -58.61 137.78 57.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.018 0.927 . . . . 99.99 112.047 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -165.43 -42.93 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.907 1.283 . . . . 99.99 107.625 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -112.65 144.92 41.34 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.275 -1.38 . . . . 99.99 107.275 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.43 -32.28 73.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.977 0.511 . . . . 99.99 111.22 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 78.42 -42.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.143 1.777 . . . . 99.99 111.362 174.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 64.8 p -53.13 134.48 38.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.172 1.389 . . . . 99.99 111.826 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.01 151.23 22.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.306 0.642 . . . . 99.99 110.539 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -59.58 -14.2 12.35 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.495 1.118 . . . . 99.99 113.244 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.35 24.51 5.9 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 111.479 -0.648 . . . . 99.99 111.479 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 418' ' ' ALA . . . . . 0.433 ' O ' HG12 ' E' ' 421' ' ' VAL . . . 82.23 -42.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.735 1.614 . . . . 99.99 112.188 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p 51.69 23.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 126.616 1.966 . . . . 99.99 113.197 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.6 mtm 64.81 23.0 12.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.374 1.07 . . . . 99.99 112.372 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.433 HG12 ' O ' ' E' ' 418' ' ' ALA . 9.8 p -97.61 25.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.501 0.667 . . . . 99.99 110.506 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 44.9 ttm 75.5 4.54 4.03 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.436 1.494 . . . . 99.99 111.897 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.3 t -80.76 77.54 7.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.46 0.648 . . . . 99.99 109.566 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -71.23 -23.26 61.97 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.031 0.932 . . . . 99.99 111.069 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 116.8 -157.56 14.98 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.53 -0.759 . . . . 99.99 111.994 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.57 156.1 11.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.831 1.252 . . . . 99.99 107.828 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 20.3 p -71.44 -63.64 1.08 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.352 -0.61 . . . . 99.99 109.352 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 69.46 -10.75 0.54 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.101 1.361 . . . . 99.99 113.138 173.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -90.62 6.42 43.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.167 0.987 . . . . 99.99 110.069 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.61 -27.29 48.64 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.307 1.443 . . . . 99.99 113.911 -170.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 64.5 m -61.55 -26.9 68.24 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.099 0.56 . . . . 99.99 111.771 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 432' ' ' GLN . . . . . 0.592 ' HG3' HG23 ' E' ' 269' ' ' THR . 6.7 tp-100 -73.42 -36.98 66.06 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.138 0.975 . . . . 99.99 111.546 -177.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.28 -39.53 15.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.52 0.328 . . . . 99.99 110.267 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -64.47 -57.69 8.52 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.282 1.033 . . . . 99.99 111.033 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m -144.62 70.73 1.29 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.926 0.869 . . . . 99.99 108.826 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -136.09 -97.72 0.52 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 109.477 -1.449 . . . . 99.99 109.477 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 24.1 t 72.83 -62.69 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.38 1.472 . . . . 99.99 112.455 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 78.13 138.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.997 1.719 . . . . 99.99 110.371 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.9 pp -136.39 176.0 9.1 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.898 0.879 . . . . 99.99 109.751 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.436 ' HB3' ' HB2' ' E' ' 443' ' ' ALA . 0.3 OUTLIER -95.65 126.9 41.24 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.141 -0.689 . . . . 99.99 109.141 178.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.16 132.47 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 122.94 0.496 . . . . 99.99 109.809 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.83 -74.4 0.08 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.144 1.378 . . . . 99.99 110.602 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 443' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' C' ' 8' ' ' GLU . . . 58.56 78.23 0.26 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.906 1.282 . . . . 99.99 112.347 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 444' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' C' ' 5' ' ' ASN . 5.0 p90 -137.24 -59.12 0.7 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.501 0.72 . . . . 99.99 109.703 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.3 -173.04 30.79 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-O 119.982 -0.343 . . . . 99.99 113.418 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.14 130.85 13.51 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 123.275 2.65 . . . . 99.99 112.344 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -85.55 -10.04 56.51 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.467 0.707 . . . . 99.99 111.6 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.25 116.87 7.76 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.574 0.749 . . . . 99.99 111.911 -172.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.9 108.74 0.78 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 99.99 109.369 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -175.66 154.0 1.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.94 0.896 . . . . 99.99 109.239 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.3 150.66 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.471 HG23 HD12 ' A' ' 86' ' ' ILE . 34.3 m -85.56 169.93 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 124.514 1.126 . . . . 99.99 112.279 -174.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.58 169.55 41.72 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.521 -0.763 . . . . 99.99 113.028 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 tp -142.4 153.07 43.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.288 1.035 . . . . 99.99 109.463 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 455' ' ' THR . . . . . 0.406 HG23 ' N ' ' E' ' 456' ' ' ASP . 9.0 t -160.35 -59.04 0.06 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.768 0.427 . . . . 99.99 111.072 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 456' ' ' ASP . . . . . 0.406 ' N ' HG23 ' E' ' 455' ' ' THR . 8.1 p-10 179.14 -157.99 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.008 1.323 . . . . 99.99 108.747 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 74.52 99.2 0.07 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.753 1.621 . . . . 99.99 110.457 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 32.7 p -112.02 88.34 2.78 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.891 0.877 . . . . 99.99 110.401 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -164.32 153.26 13.34 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.193 1.397 . . . . 99.99 108.554 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 15.4 tp -132.41 144.36 50.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.958 0.885 . . . . 99.99 110.06 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.525 ' H ' ' HD1' ' E' ' 461' ' ' PHE . 2.8 p90 -76.0 -173.82 2.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.948 1.699 . . . . 99.99 112.555 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -167.11 -164.01 0.58 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.948 1.699 . . . . 99.99 108.516 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 28.1 m 74.18 116.34 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.321 1.448 . . . . 99.99 111.781 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' E' ' 464' ' ' MET . 1.1 pmm? -128.12 175.14 8.65 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.798 1.239 . . . . 99.99 108.593 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -68.15 -57.81 5.46 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.878 0.471 . . . . 99.99 111.163 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -103.76 122.27 44.73 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -64.05 156.64 27.56 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.86 0.725 . . . . 99.99 110.22 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 40' ' ' VAL . 3.4 tm? -55.09 -40.98 71.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.832 0.708 . . . . 99.99 110.192 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 66.0 92.55 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 O-C-N 123.851 0.719 . . . . 99.99 113.3 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.521 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.31 95.23 2.13 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 -176.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 107.202 -1.407 . . . . 99.99 107.202 174.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.801 0.334 . . . . 99.99 111.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -161.1 120.16 2.54 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.649 -1.241 . . . . 99.99 107.649 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.15 -47.85 59.91 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.691 0.758 . . . . 99.99 110.215 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -163.82 -56.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 105.968 -1.864 . . . . 99.99 105.968 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -145.2 176.73 9.32 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.653 1.581 . . . . 99.99 108.045 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -83.02 139.91 33.01 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.678 -0.86 . . . . 99.99 108.678 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.3 p -80.6 75.41 7.48 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.843 0.857 . . . . 99.99 111.088 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -74.58 -55.69 5.64 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.654 -0.869 . . . . 99.99 108.654 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -134.46 136.18 43.01 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 106.837 -1.542 . . . . 99.99 106.837 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -159.59 145.24 15.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.722 0.773 . . . . 99.99 112.763 -170.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 101' ' ' TYR . 26.6 t80 -135.05 118.36 16.69 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 160.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -140.37 113.56 8.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.946 0.498 . . . . 99.99 109.905 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.546 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.427 HH12 ' HA ' ' B' ' 29' ' ' PRO . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 87.02 110.823 -168.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 27.8 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 12.57 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 37.56 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 5.43 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 6.92 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 5.61 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 12.68 108.613 173.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 32.78 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 57.34 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 48.36 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' E' ' 464' ' ' MET . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 97.85 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 HD22 ' E' ' 454' ' ' LEU . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 43.33 109.395 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 41.53 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' E' ' 452' ' ' VAL . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 88.8 110.329 -173.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 73.87 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.04 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 54.22 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 29.36 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 19.86 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG13 HD21 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 13.6 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 17.22 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG21 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 14.92 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 21.43 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 23.61 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 57.75 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 93.1 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 30.12 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 22.88 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 30.01 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' NH1' ' E' ' 440' ' ' ARG . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 14.44 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 9.47 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 20.02 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 66.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.546 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m -81.29 91.37 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 98' ' ' LEU . 6.8 pt -128.79 118.5 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.92 0.888 . . . . 99.99 110.421 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.01 168.71 1.58 Allowed 'General case' 0 C--O 1.246 0.888 0 C-N-CA 125.729 1.612 . . . . 99.99 108.756 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.84 10.87 85.8 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.78 -0.646 . . . . 99.99 111.574 -168.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 94' ' ' MET . 2.0 pp -134.75 155.59 38.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 C-N-CA 124.455 1.102 . . . . 99.99 110.662 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.51 -176.73 5.51 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.359 1.063 . . . . 99.99 109.956 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.07 -132.37 30.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 119.688 -0.507 . . . . 99.99 112.866 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -63.68 -39.5 94.46 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.14 0.576 . . . . 99.99 111.321 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -50.43 -63.67 1.05 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.69 1.196 . . . . 99.99 110.869 -170.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 95' ' ' ALA . 3.9 ppp? -65.9 -42.86 89.67 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 124.072 0.858 . . . . 99.99 110.589 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' N ' ' SD ' ' A' ' 94' ' ' MET . . . -55.04 -42.36 72.55 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.801 0.841 . . . . 99.99 112.747 -171.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -86.23 -31.18 21.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.498 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.37 -64.83 0.8 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.755 0.422 . . . . 99.99 111.012 -174.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 86' ' ' ILE . 1.6 pp -77.97 -17.28 57.35 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 95.56 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 94.48 110.909 -177.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 73.2 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 48.9 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 94.19 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.591 HD11 ' H ' ' A' ' 134' ' ' ASP . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 55.88 110.191 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 21.71 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 15.39 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 9.95 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 20.66 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 7.34 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 15.45 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 4.41 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 7.34 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 7.28 111.308 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 4.96 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 48.88 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 26.6 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 17.97 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.471 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 8.38 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.53 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 20.1 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 13.71 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.855 ' HB3' ' HA ' ' E' ' 132' ' ' SER . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 20.05 114.68 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 127' ' ' ASN . 5.7 tp-100 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 56.76 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 125' ' ' GLN . 35.4 m-80 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 62.97 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 56.46 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.534 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 77.42 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.56 114.86 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -109.43 93.67 4.63 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.77 0.828 . . . . 99.99 110.93 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.21 -36.86 85.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.262 0.225 . . . . 99.99 110.42 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.591 ' H ' HD11 ' A' ' 105' ' ' ILE . 4.6 p-10 -60.48 -44.79 95.54 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.669 0.606 . . . . 99.99 111.036 -171.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.95 78.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.828 0.705 . . . . 99.99 111.423 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' E' ' 142' ' ' LEU . 9.5 tt -65.9 -38.57 89.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.96 0.904 . . . . 99.99 111.019 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -89.86 -26.75 20.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.472 0.309 . . . . 99.99 111.336 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 4.1 tpt -56.6 -44.14 80.82 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.164 0.986 . . . . 99.99 111.276 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 143' ' ' GLN . 7.3 p30 -60.23 -39.58 87.16 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.078 0.861 . . . . 99.99 111.766 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -68.84 -45.97 69.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.108 0.563 . . . . 99.99 110.452 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.2 tp -62.19 -49.6 75.15 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.88 -1.055 . . . . 99.99 111.101 -166.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 175.03 -18.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 124.544 1.152 . . . . 99.99 111.694 172.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 139' ' ' ASN . 20.5 pt20 47.35 17.46 0.08 Allowed 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 126.692 1.997 . . . . 99.99 116.136 177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -83.02 70.34 10.0 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.786 0.803 . . . . 99.99 110.796 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 60.38 24.55 14.07 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.273 1.029 . . . . 99.99 111.184 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.423 ' HA2' ' SD ' ' A' ' 138' ' ' MET . . . 105.07 -126.71 8.77 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.889 -0.884 . . . . 99.99 110.889 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -16.22 0.28 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.843 0.857 . . . . 99.99 111.955 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.25 -30.79 18.63 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.951 -0.361 . . . . 99.99 113.145 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m 71.56 -70.15 0.17 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.112 1.765 . . . . 99.99 112.046 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -68.42 135.79 52.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.934 0.894 . . . . 99.99 111.318 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.96 -45.03 2.99 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.18 0.992 . . . . 99.99 110.525 173.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -174.82 -71.35 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.246 0.619 . . . . 99.99 110.632 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.67 -21.5 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.383 0.673 . . . . 99.99 111.927 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.5 t70 67.25 -88.98 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.029 1.732 . . . . 99.99 112.143 174.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 123.426 0.69 . . . . 99.99 109.786 -176.238 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.148 -0.316 . . . . 99.99 110.148 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -85.33 32.67 0.56 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.563 1.145 . . . . 99.99 111.168 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.54 -48.56 64.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.87 128.19 56.39 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 106.135 -1.802 . . . . 99.99 106.135 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.29 86.32 1.96 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.704 0.802 . . . . 99.99 111.041 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 169.08 -34.14 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 128.084 2.554 . . . . 99.99 107.138 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.45 HG21 ' HB3' ' E' ' 174' ' ' GLN . 24.4 p 76.89 -44.0 0.46 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.366 2.266 . . . . 99.99 112.864 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.12 30.3 20.05 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.306 1.042 . . . . 99.99 109.025 -172.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.473 ' HE1' HG23 ' B' ' 86' ' ' ILE . 15.3 ptm 57.02 -177.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.344 1.858 . . . . 99.99 112.671 -172.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.74 112.07 10.46 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.977 -1.49 . . . . 99.99 106.977 172.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 -147.3 141.94 26.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.909 0.484 . . . . 93.55 111.833 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.458 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 40.88 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 85.25 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 95.33 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 13.6 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 23.1 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.53 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 6.51 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 19.94 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.43 HD12 ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 5.14 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 19.25 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 9.84 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 18.09 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 49.39 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' B' ' 25' ' ' ALA . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.494 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 HD11 ' B' ' 68' ' ' LEU . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 98.87 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' E' ' 86' ' ' TYR . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 72.1 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.598 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.531 HD11 ' N ' ' E' ' 7' ' ' ALA . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 96.73 112.024 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' E' ' 8' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 67.27 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.597 HG21 ' HA ' ' E' ' 15' ' ' PHE . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 66.97 110.511 -173.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 35.64 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 74.75 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 43.74 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 89.61 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 85.91 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.462 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 76.71 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 98.07 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 57.34 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 21.57 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.542 HD21 HD23 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 62.33 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 95.32 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 14.84 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 28.15 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 18.14 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 24.35 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 26.44 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 56.64 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 62.67 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 81.37 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 33.32 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.71 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 25.99 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 18.76 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 16.93 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 12.76 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 8.91 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 33.15 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 11.78 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 39.34 106.251 168.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.458 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 63.88 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 82.93 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.672 ' HB ' HG11 ' E' ' 18' ' ' VAL . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 98.2 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' E' ' 21' ' ' ALA . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' B' ' 134' ' ' ASP . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' E' ' 17' ' ' PRO . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 71.23 112.487 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 59.87 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' B' ' 134' ' ' ASP . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 71.19 112.676 -166.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 50.37 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 36.29 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 87.59 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 37.19 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 13.07 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 10.37 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 12.29 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 8.75 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 59.14 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 13.3 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.521 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 9.86 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 13.13 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.02 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 26.78 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 13.3 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 29.79 111.769 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 23.15 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 23.84 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 29.89 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 72.13 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 73.04 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.591 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 90.81 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 43.15 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 61.27 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' E' ' 4' ' ' SER . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.57 110.852 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -111.82 97.83 6.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' E' ' 8' ' ' LEU . 24.9 p90 -89.12 -5.13 58.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.932 0.493 . . . . 99.99 110.662 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' B' ' 100' ' ' ALA . 7.7 p-10 -60.46 -41.01 93.23 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.387 0.275 . . . . 99.99 110.436 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.7 70.33 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.474 1.109 . . . . 99.99 111.831 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.77 -55.74 30.4 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.843 0.857 . . . . 99.99 110.145 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -75.58 -32.29 60.31 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.699 -0.682 . . . . 99.99 111.16 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.78 -38.19 90.17 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.342 0.657 . . . . 99.99 111.554 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -76.03 -37.26 58.58 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.08 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' E' ' 28' ' ' VAL . 8.1 m-30 -67.72 -33.19 74.39 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.484 -1.234 . . . . 99.99 111.26 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -78.04 -7.65 57.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.746 0.419 . . . . 99.99 111.762 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -97.41 74.77 2.48 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.139 0.971 . . . . 99.99 109.221 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -115.26 4.41 14.47 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 113.831 -1.532 . . . . 99.99 108.458 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.54 -35.38 80.69 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.987 0.915 . . . . 99.99 111.798 -170.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.61 93.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.541 1.136 . . . . 99.99 111.597 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 147.38 -20.6 1.53 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 111.071 -0.812 . . . . 99.99 111.071 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.02 -89.64 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 55.88 29.6 55.37 Favored Glycine 0 C--N 1.362 2.013 0 N-CA-C 115.124 0.81 . . . . 99.99 115.124 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.7 t -76.32 75.98 3.1 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.021 0.915 . . . . 99.99 109.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 55.48 53.43 9.79 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.074 -1.421 . . . . 99.99 110.138 -169.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.4 45.51 2.76 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.255 -1.339 . . . . 99.99 109.762 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 t60 77.68 -45.96 0.45 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.49 1.516 . . . . 99.99 112.471 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -60.42 -29.89 69.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.658 1.183 . . . . 99.99 113.195 -171.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -121.37 -53.77 2.0 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.904 0.882 . . . . 99.99 109.229 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 C-N-CA 124.099 0.959 . . . . 99.99 108.76 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.318 0.104 . . . . 99.99 110.81 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.453 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 21.5 t -160.16 161.07 33.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.838 0.855 . . . . 99.99 109.203 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' C' ' 8' ' ' GLU . 19.4 mm-40 64.59 -71.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.753 1.621 . . . . 99.99 112.923 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' C' ' 155' ' ' ALA . 8.7 pt20 -55.4 105.89 0.2 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.093 0.957 . . . . 99.99 112.486 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -142.71 -59.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.457 1.103 . . . . 99.99 108.855 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -164.0 -46.14 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.034 0.534 . . . . 99.99 110.327 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -107.13 -20.7 13.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.848 0.859 . . . . 99.99 110.832 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' C' ' 3' ' ' GLU . 1.3 mp0 63.51 -179.56 0.15 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.831 1.252 . . . . 99.99 110.757 -172.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.592 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 44.9 ttp 64.16 113.53 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.916 0.886 . . . . 99.99 112.145 174.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.606 HG21 ' HG3' ' E' ' 273' ' ' GLN . 89.2 m -86.21 91.82 8.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.593 -0.521 . . . . 99.99 109.593 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 -87.77 134.25 33.71 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.602 0.761 . . . . 99.99 109.006 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.788 ' HG3' ' HA ' ' E' ' 136' ' ' LYS . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 56.3 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.702 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 93.16 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' E' ' 132' ' ' SER . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 11.74 107.438 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.554 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 6.91 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 21.95 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 5.12 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 9.28 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 8.82 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 12.04 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 30.41 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' C' ' 30' ' ' HIS . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' HIS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 27' ' ' ASN . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 48.75 112.49 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 55.24 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.47 ' HE1' ' HG2' ' E' ' 304' ' ' PRO . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 88.6 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' E' ' 297' ' ' TYR . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 68.93 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 87.15 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.589 HD21 HG22 ' C' ' 64' ' ' VAL . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 94.05 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.482 HD11 HD23 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 71.87 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 62.96 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 35.73 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 56.22 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 43.42 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.563 HD11 HD12 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 94.06 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 81.86 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 29.6 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' C' ' 57' ' ' GLU . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 20.9 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 69.19 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 14.53 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.42 109.816 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.6 HG21 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 17.7 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 29.53 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 32.22 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' SER . . . . . 0.441 ' HB2' HG23 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 59.66 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 97.29 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 76.35 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' THR . . . . . 0.441 HG23 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 37.0 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 34.06 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 39.96 110.049 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 16.54 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 9.25 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 25.23 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 81' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 10.6 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.563 HD12 HD11 ' C' ' 51' ' ' LEU . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 30.38 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.702 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.726 ' HB ' HD13 ' E' ' 278' ' ' LEU . 5.1 mp -127.51 101.36 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.444 ' O ' HG13 ' C' ' 89' ' ' ILE . . . -90.12 33.83 0.87 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.904 0.481 . . . . 99.99 111.246 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.592 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -61.32 -37.02 93.36 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 114.517 0.567 . . . . 99.99 114.517 -172.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.456 HG12 ' HG ' ' E' ' 277' ' ' LEU . 65.7 mt 73.14 -13.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 C-N-CA 125.712 1.605 . . . . 99.99 112.475 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 9.5 mm-40 -84.45 52.54 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.483 1.113 . . . . 99.99 113.633 -168.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.09 -117.34 4.77 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 114.693 0.637 . . . . 99.99 114.693 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.623 ' HA ' ' HB3' ' C' ' 95' ' ' ALA . 14.1 t -82.82 -17.28 44.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.252 0.621 . . . . 99.99 111.434 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 7.5 tp60 -66.86 -49.01 67.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.473 0.709 . . . . 99.99 110.533 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.08 -31.66 71.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.406 -0.361 . . . . 99.99 110.227 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 92' ' ' THR . . . -70.59 -20.97 62.72 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.912 0.885 . . . . 99.99 112.149 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' CE2' ' C' ' 137' ' ' PHE . 19.2 t-80 -56.47 -44.81 80.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.196 0.522 . . . . 99.99 110.197 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m -72.53 -38.67 67.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.953 -1.021 . . . . 99.99 111.286 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 68.51 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 56.52 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 56.59 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.405 ' HB3' HD21 ' C' ' 60' ' ' LEU . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 39.21 115.885 168.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 130' ' ' PRO . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 8.71 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' C' ' 82' ' ' GLY . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 37.06 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 16.74 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 9.85 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 5.88 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 7.64 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 20.64 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 13.9 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.6 HG21 HG21 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 8.58 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 8.54 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 6.56 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.411 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 5.22 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.497 HG21 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 28.53 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 17.6 110.328 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 15.17 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.477 ' HA ' HD13 ' E' ' 301' ' ' ILE . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 24.81 110.091 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.71 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 29.42 113.3 173.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.497 ' H ' HG21 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 59.85 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 41.85 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.589 HD21 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 38.57 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 24.62 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 24.48 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 68.05 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -79.38 -9.09 59.52 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.54 -22.87 66.75 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.303 0.641 . . . . 99.99 111.022 172.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.62 73.41 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.125 0.57 . . . . 99.99 111.216 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' E' ' 287' ' ' PRO . 5.5 tt -74.84 -39.67 61.47 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.562 0.745 . . . . 99.99 110.869 175.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 137' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' C' ' 96' ' ' HIS . 1.8 t80 -80.64 -18.81 46.92 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.304 0.242 . . . . 99.99 111.111 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -43.66 30.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 170.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 139' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 143' ' ' GLN . 1.6 t30 -54.53 -36.96 64.84 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 114.2 -1.364 . . . . 99.99 111.569 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.57 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.804 0.841 . . . . 99.99 109.111 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 20.0 tp 65.79 176.35 0.22 Allowed 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.134 0.974 . . . . 99.99 111.018 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -158.48 -73.56 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.282 -0.636 . . . . 99.99 109.282 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 143' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' C' ' 147' ' ' GLU . 7.1 tp-100 -83.2 149.81 26.6 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.76 -0.655 . . . . 99.99 109.822 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.79 -62.42 1.42 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.16 -0.681 . . . . 99.99 109.16 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 166.29 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 126.296 1.839 . . . . 99.99 107.559 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.37 94.9 0.26 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 110.578 -1.009 . . . . 99.99 110.578 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' GLU . . . . . 0.439 ' HG2' HE21 ' C' ' 143' ' ' GLN . 0.7 OUTLIER -66.19 -19.59 65.88 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.071 0.948 . . . . 99.99 111.953 -174.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.29 61.53 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 111.997 -0.441 . . . . 99.99 111.997 -173.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 33.5 p -146.53 -20.99 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.705 1.202 . . . . 99.99 111.107 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -75.62 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.846 0.858 . . . . 99.99 111.991 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' C' ' 2' ' ' SER . 0.8 OUTLIER -118.68 -54.58 2.25 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -146.15 -80.44 0.16 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.568 -1.271 . . . . 99.99 107.568 167.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.42 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.806 1.242 . . . . 99.99 107.744 177.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -149.09 44.51 0.98 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.902 -1.044 . . . . 99.99 109.85 -174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.439 ' HA ' ' NE2' ' C' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 125.008 1.323 . . . . 99.99 110.586 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.526 -0.546 . . . . 99.99 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -82.03 78.25 8.75 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.85 -70.24 0.28 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 115.088 -0.96 . . . . 99.99 110.748 -172.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -95.55 -38.63 10.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.606 -0.725 . . . . 99.99 110.686 -176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -69.63 86.71 0.48 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.996 0.919 . . . . 99.99 111.165 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.22 -58.44 2.15 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.391 1.076 . . . . 99.99 110.199 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.525 HG22 ' H ' ' D' ' 8' ' ' GLU . 6.0 m -127.93 175.56 8.27 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.099 0.96 . . . . 99.99 109.804 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.525 ' H ' HG22 ' D' ' 7' ' ' THR . 2.8 mp0 73.59 140.31 0.06 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.492 1.517 . . . . 99.99 109.812 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' D' ' 87' ' ' ALA . 24.0 ttt -34.34 125.29 0.5 Allowed 'General case' 0 C--N 1.365 1.264 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -175.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p -103.62 135.93 44.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 173.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.463 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 76.43 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.629 HD13 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 79.46 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 53.22 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 19.87 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 8.43 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 36.9 109.987 172.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.69 HG23 HG22 ' D' ' 78' ' ' VAL . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 4.02 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 7.64 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 5.08 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 7.19 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 13.41 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 12.01 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 20.55 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 22.26 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' D' ' 68' ' ' LEU . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 34.6 112.399 -174.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 31.63 109.242 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 49.29 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 31.29 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 52.79 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.49 HD11 HD22 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 74.77 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.667 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' E' ' 111' ' ' LEU . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 66.01 109.579 -174.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 46' ' ' THR . . . . . 0.63 HG22 HD22 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 77.52 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 38.8 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 48.36 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 52.73 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.71 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 82.32 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 96.95 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.613 HG11 HG23 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 82.8 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.607 ' HB2' HD22 ' E' ' 100' ' ' LEU . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 44.56 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 19.48 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 60' ' ' LEU . . . . . 0.63 HD22 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 52.2 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 9.25 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.667 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 10.79 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 9.72 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 19.36 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 11.33 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.514 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 29.87 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' D' ' 31' ' ' VAL . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 24.97 109.309 177.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 27.84 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 11.35 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.514 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 10.67 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 7.73 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 11.05 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.761 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 78' ' ' VAL . . . . . 0.69 HG22 HG23 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 5.05 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.728 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 21.68 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.29 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.613 HG23 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 43.57 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.562 ' HA ' HG22 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 77.58 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 88.57 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' D' ' 9' ' ' MET . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 88.9 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 95.17 111.786 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.673 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 66.02 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 54.11 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 40.76 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 34.31 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 28.69 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 61.29 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.629 HG21 HD13 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 19.65 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 13.09 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 107' ' ' PHE . . . . . 0.528 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 10.47 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 6.22 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 10.48 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 4.16 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 10.22 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.39 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.761 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 5.37 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 7.06 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 6.71 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 5.08 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 5.65 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 10.21 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 6.99 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' D' ' 32' ' ' PHE . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 18.26 111.984 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 20.06 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 16.85 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 14.84 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 76.73 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.49 HD22 HD11 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 20.32 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 28.37 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.5 ' HB2' HD11 ' E' ' 71' ' ' ILE . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 32.68 112.175 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 69.78 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -56.37 -41.5 76.31 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.68 -34.32 58.32 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.853 0.861 . . . . 99.99 111.978 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' E' ' 120' ' ' TYR . 2.6 mm? -85.24 -45.95 11.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.632 0.773 . . . . 99.99 110.656 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' E' ' 111' ' ' LEU . 11.6 m-30 -66.65 -44.66 81.33 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.876 0.871 . . . . 99.99 112.392 -168.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 24.0 ptp -53.81 -32.34 52.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.317 1.047 . . . . 99.99 112.445 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -64.68 -43.57 93.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 99.99 111.09 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.42 ' HB2' ' CE1' ' E' ' 109' ' ' TYR . 38.3 m-85 -91.67 -28.99 17.11 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.382 0.673 . . . . 99.99 111.708 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.64 1.176 . . . . 99.99 111.7 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.98 0.16 16.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.34 1.056 . . . . 99.99 112.483 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -151.27 47.3 0.83 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.677 0.791 . . . . 99.99 109.743 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 144' ' ' GLN . . . . . 0.464 ' HB3' ' HA2' ' E' ' 104' ' ' GLY . 15.3 mm-40 -141.59 8.45 1.96 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.265 -0.88 . . . . 99.99 111.782 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.19 -21.86 66.82 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.438 0.637 . . . . 99.99 110.068 167.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.67 -122.59 0.68 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 109.601 -1.4 . . . . 99.99 109.601 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 54.26 80.9 0.11 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.747 1.619 . . . . 99.99 112.071 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 87.12 -54.16 4.51 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.76 -0.654 . . . . 99.99 111.667 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m -59.75 -66.29 0.54 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.13 0.972 . . . . 99.99 109.985 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 53.81 -90.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.324 1.049 . . . . 99.99 110.329 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 62.68 10.95 4.49 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 125.754 1.622 . . . . 99.99 112.669 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.23 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.369 1.468 . . . . 99.99 110.975 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -156.53 59.22 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.957 0.903 . . . . 99.99 108.672 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 t70 64.19 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.539 1.136 . . . . 99.99 111.996 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.597 1.159 . . . . 99.99 108.138 -176.708 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.492 -0.559 . . . . 99.99 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.632 ' HB2' ' HB3' ' E' ' 82' ' ' ALA . 55.6 pttt -151.92 91.43 1.63 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.004 0.922 . . . . 99.99 109.085 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.42 HE22 ' HG3' ' E' ' 310' ' ' PRO . 1.0 OUTLIER 73.99 154.3 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.869 1.268 . . . . 99.99 110.037 -173.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 4' ' ' SER . . . . . 0.425 ' HB3' HG22 ' B' ' 131' ' ' VAL . 41.3 m -60.63 119.64 8.49 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.375 1.07 . . . . 99.99 112.419 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -76.74 -159.04 0.11 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.061 0.944 . . . . 99.99 110.459 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 pt -49.94 98.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.031 0 C-N-CA 124.18 0.992 . . . . 99.99 113.11 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.531 ' N ' HD11 ' B' ' 42' ' ' LEU . . . -177.18 124.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.442 -1.708 . . . . 99.99 108.078 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.673 ' HA ' HD21 ' B' ' 44' ' ' LEU . 8.9 mt 53.6 65.14 1.6 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.853 1.261 . . . . 99.99 113.278 166.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.66 110.84 10.14 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' E' ' 314' ' ' ARG . 4.1 mm? 67.58 104.5 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.793 1.308 . . . . 99.99 112.535 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.96 175.72 4.13 Favored Pre-proline 0 CA--C 1.559 1.314 0 C-N-CA 125.359 1.464 . . . . 99.99 108.816 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -70.66 48.05 0.76 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.918 2.412 . . . . 99.99 113.057 165.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.34 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.886 1.675 . . . . 99.99 111.11 -176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.462 HD11 HG23 ' E' ' 23' ' ' THR . 4.1 mm? -82.0 116.41 21.6 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.051 0.541 . . . . 99.99 110.279 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.597 ' HA ' HG21 ' B' ' 46' ' ' THR . 58.1 t80 -71.73 131.17 42.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 167.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' E' ' 17' ' ' PRO . 14.8 t -62.17 115.61 17.11 Favored Pre-proline 0 CA--C 1.562 1.432 0 O-C-N 123.547 0.529 . . . . 99.99 110.67 -176.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' B' ' 98' ' ' LEU . 10.5 Cg_endo -90.85 170.81 3.4 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.271 1.981 . . . . 99.99 113.607 -173.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.672 HG11 ' HB ' ' B' ' 86' ' ' ILE . 15.9 m -65.88 -38.4 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 114.74 -1.118 . . . . 99.99 111.171 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.7 m -133.35 146.31 51.18 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -55.9 91.22 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.152 0.981 . . . . 99.99 111.784 -175.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' SD ' ' B' ' 94' ' ' MET . . . -91.5 -70.43 0.69 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.115 0.966 . . . . 99.99 110.106 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.428 ' HD2' ' HG ' ' E' ' 14' ' ' LEU . 0.1 OUTLIER 67.73 172.99 0.27 Allowed 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 124.683 1.193 . . . . 99.99 110.99 177.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 23' ' ' THR . . . . . 0.462 HG23 HD11 ' E' ' 14' ' ' LEU . 1.5 p -84.13 114.04 51.96 Favored Pre-proline 0 CA--C 1.555 1.17 0 C-N-CA 123.395 0.678 . . . . 99.99 110.245 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' E' ' 23' ' ' THR . 2.8 Cg_exo -75.8 155.97 39.39 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.428 2.752 . . . . 99.99 112.772 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 68.27 -77.28 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.337 1.455 . . . . 99.99 112.262 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 51.4 mtm -140.9 155.12 69.1 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.178 0.991 . . . . 99.99 110.095 -172.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 27' ' ' PRO . . . . . 0.493 ' HD3' HD21 ' E' ' 321' ' ' LEU . 14.9 Cg_exo -69.85 158.12 57.89 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.402 2.068 . . . . 99.99 111.07 170.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 28' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' B' ' 140' ' ' TYR . 4.3 p -75.26 76.5 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 CA-C-O 122.028 0.918 . . . . 99.99 110.831 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.37 8.16 1.53 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.022 1.329 . . . . 99.99 113.34 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.62 -60.22 0.48 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.763 1.625 . . . . 99.99 112.96 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 69.38 20.4 7.33 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.068 1.347 . . . . 99.99 110.86 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.0 -21.18 59.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.1 0.56 . . . . 99.99 111.097 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.81 7.78 9.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.945 0.898 . . . . 99.99 111.905 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.7 26.36 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.613 0.765 . . . . 99.99 111.175 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -117.52 148.97 41.37 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.808 1.243 . . . . 99.99 110.123 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.23 -16.02 77.31 Favored Glycine 0 N--CA 1.472 1.055 0 O-C-N 123.751 0.657 . . . . 99.99 112.203 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.12 90.67 0.47 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 123.655 0.782 . . . . 99.99 110.631 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.55 HG12 HG23 ' E' ' 39' ' ' THR . 10.8 tt -166.77 142.61 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 124.664 1.186 . . . . 99.99 108.86 173.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 39' ' ' THR . . . . . 0.55 HG23 HG12 ' E' ' 38' ' ' ILE . 70.4 p 60.86 6.12 1.12 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 126.694 1.998 . . . . 99.99 114.504 174.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' E' ' 41' ' ' PRO . . . -162.87 -60.76 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.458 0 CA-C-O 118.228 -0.891 . . . . 99.99 110.821 175.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' E' ' 40' ' ' ALA . 1.1 Cg_endo -83.87 116.97 2.23 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.095 1.863 . . . . 99.99 111.016 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -0.12 58.66 Favored Glycine 0 N--CA 1.474 1.215 0 CA-C-O 119.712 -0.493 . . . . 99.99 114.066 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.49 -80.81 1.13 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.755 -0.538 . . . . 99.99 111.755 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.84 58.04 4.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.094 1.358 . . . . 99.99 112.327 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -84.64 65.57 9.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.507 -0.923 . . . . 99.99 108.507 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -73.7 103.06 4.14 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.062 -0.972 . . . . 99.99 110.553 -170.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.62 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.463 1.505 . . . . 99.99 110.698 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 9.2 m -129.45 -24.29 2.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.672 0.789 . . . . 99.99 110.542 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 -120.29 15.95 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 118.974 -0.903 . . . . 99.99 110.973 -171.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 61.05 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.794 1.238 . . . . 99.99 113.175 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.14 -29.71 68.67 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.8 1.24 . . . . 99.99 111.113 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 60.3 p -78.2 -24.71 47.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.766 0.827 . . . . 99.99 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.96 -54.51 7.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.227 0.611 . . . . 99.99 110.618 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 74.39 -50.29 0.68 Allowed 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.603 1.561 . . . . 99.99 113.309 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 51.0 tp 73.64 -70.17 0.17 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.011 1.724 . . . . 99.99 110.178 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -139.17 -75.79 0.36 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 170.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 171.89 -2.88 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.812 1.645 . . . . 99.99 108.798 -170.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 58' ' ' SER . . . . . 0.462 ' HA ' ' HB3' ' E' ' 63' ' ' PRO . 22.8 t -50.93 -42.01 59.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 123.645 0.778 . . . . 99.99 111.395 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.68 15.34 1.75 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.393 1.077 . . . . 99.99 112.373 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -90.82 -83.56 0.26 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.929 0.492 . . . . 99.99 110.114 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.45 -57.38 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.88 0.472 . . . . 99.99 111.312 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.6 ' HA ' ' SD ' ' E' ' 75' ' ' MET . 40.6 mtpt -115.69 99.85 52.94 Favored Pre-proline 0 N--CA 1.487 1.39 0 CA-C-N 118.61 0.641 . . . . 99.99 110.395 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 63' ' ' PRO . . . . . 0.462 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 66.8 Cg_endo -83.89 -11.51 8.9 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.038 2.492 . . . . 99.99 113.932 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.29 152.91 39.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.499 0.72 . . . . 99.99 110.554 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -172.12 103.28 0.17 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.927 0.891 . . . . 99.99 109.069 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 66' ' ' ASN . . . . . 0.633 ' HB3' ' HA3' ' E' ' 72' ' ' GLY . 28.8 t-20 -62.86 154.34 30.36 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.425 0.69 . . . . 99.99 110.12 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.8 tt -46.14 121.94 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.107 1.363 . . . . 99.99 111.867 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 pt -82.68 29.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.779 0.832 . . . . 99.99 112.129 -170.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.2 -55.93 15.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.431 1.093 . . . . 99.99 108.721 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.447 HD12 HG12 ' E' ' 71' ' ' ILE . 0.9 OUTLIER -159.61 -4.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.8 0.667 . . . . 99.99 112.8 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' D' ' 130' ' ' PRO . 20.9 pt -143.54 157.67 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.747 0.703 . . . . 99.99 112.132 -175.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 72' ' ' GLY . . . . . 0.633 ' HA3' ' HB3' ' E' ' 66' ' ' ASN . . . 79.78 156.08 11.19 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 114.98 -1.009 . . . . 99.99 114.236 171.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -179.28 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.081 1.352 . . . . 99.99 109.639 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.1 162.18 7.67 Favored Glycine 0 C--N 1.359 1.845 0 O-C-N 124.219 0.95 . . . . 99.99 113.82 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 75' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' E' ' 62' ' ' LYS . 25.4 ptt? -149.96 179.13 8.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.031 0.532 . . . . 99.99 111.846 -166.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.88 -170.24 45.95 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 110.684 -0.966 . . . . 99.99 110.684 166.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.03 151.12 23.53 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.672 0.736 . . . . 99.99 110.472 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 8.7 m -71.21 -46.71 60.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.056 0.943 . . . . 99.99 111.488 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -85.94 -29.46 23.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.828 -1.078 . . . . 99.99 111.31 -167.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.04 89.35 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-O 121.963 0.887 . . . . 99.99 109.915 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -148.85 172.06 15.27 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 125.265 1.426 . . . . 99.99 108.81 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 82' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' E' ' 2' ' ' LYS . . . -154.46 -78.96 0.1 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 122.899 0.48 . . . . 99.99 109.984 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' SG ' ' E' ' 308' ' ' CYS . . . 66.2 128.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 125.262 1.425 . . . . 99.99 112.53 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.43 ' HD3' ' HB2' ' E' ' 87' ' ' ALA . 0.0 OUTLIER -168.09 117.26 0.76 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 107.287 -1.375 . . . . 99.99 107.287 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -57.08 123.56 15.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 124.003 0.814 . . . . 99.99 111.098 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 86' ' ' TYR . . . . . 0.612 ' HB2' ' HG2' ' B' ' 39' ' ' GLU . 54.6 t80 59.64 -87.86 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.149 1.38 . . . . 99.99 111.561 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 87' ' ' ALA . . . . . 0.43 ' HB2' ' HD3' ' E' ' 84' ' ' ARG . . . 58.97 -83.57 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.146 1.379 . . . . 99.99 110.95 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 176.08 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.347 0.49 0 N-CA-C 105.942 -1.873 . . . . 99.99 105.942 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.38 -139.18 2.99 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 114.836 -1.074 . . . . 99.99 111.652 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' HD3' ' E' ' 2' ' ' LYS . . . -153.95 142.3 20.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.909 0.884 . . . . 99.99 110.034 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.63 152.77 32.4 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.499 0.5 . . . . 99.99 112.331 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -155.15 -152.31 6.13 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 60.89 21.1 11.33 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.663 1.185 . . . . 99.99 112.312 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 94' ' ' PHE . . . . . 0.443 ' HZ ' HG21 ' D' ' 10' ' ' THR . 27.5 p90 -67.82 140.58 56.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.849 0.86 . . . . 99.99 110.406 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -74.06 111.95 9.73 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.631 0.773 . . . . 99.99 110.035 -162.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.47 -56.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.174 -0.237 . . . . 99.99 113.451 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.402 HD11 HG13 ' D' ' 86' ' ' ILE . 23.7 pt -124.73 33.26 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 122.999 0.52 . . . . 99.99 111.897 -167.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.95 97.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.843 0.857 . . . . 99.99 112.699 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 99' ' ' ALA . . . . . 0.648 ' H ' HD12 ' E' ' 100' ' ' LEU . . . 161.9 -52.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.171 2.188 . . . . 99.99 106.742 175.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' E' ' 99' ' ' ALA . 3.8 mp 48.42 60.23 15.78 Favored Pre-proline 0 CA--C 1.563 1.458 0 CA-C-N 113.603 -1.635 . . . . 99.99 110.496 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -76.18 105.71 2.13 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.314 2.676 . . . . 99.99 112.567 -166.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.408 HD11 HD11 ' D' ' 98' ' ' LEU . 75.9 mt -73.24 119.45 17.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.481 -0.781 . . . . 99.99 109.273 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.8 p -77.8 72.59 4.35 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.946 0.879 . . . . 99.99 110.195 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 104' ' ' GLY . . . . . 0.464 ' HA2' ' HB3' ' D' ' 144' ' ' GLN . . . 164.05 35.98 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 114.416 -1.266 . . . . 99.99 111.203 -176.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 64.94 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.315 1.446 . . . . 99.99 109.435 -171.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -121.38 -73.3 0.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 106.351 -1.722 . . . . 99.99 106.351 162.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.6 p -154.39 75.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.915 -1.493 . . . . 99.99 107.913 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -85.44 88.34 7.5 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.842 -0.617 . . . . 99.99 109.821 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 109' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' D' ' 140' ' ' TYR . 51.1 m-85 -133.97 138.77 45.66 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.902 0.881 . . . . 99.99 109.286 -178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.5 44.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.85 0.86 . . . . 99.99 110.888 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.64 ' HB3' ' HB2' ' D' ' 44' ' ' LEU . 79.4 mt 58.72 -86.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.142 1.377 . . . . 99.99 112.783 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -74.27 -24.73 59.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 99.99 111.361 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.05 107.48 3.17 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 107.779 -1.193 . . . . 99.99 107.779 167.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -48.58 -56.46 8.34 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.837 1.336 . . . . 99.99 111.53 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p 52.77 -77.51 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.394 1.878 . . . . 99.99 112.955 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.88 4.22 1.18 Allowed Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -94.42 -49.09 0.27 Allowed Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.47 1.108 . . . . 99.99 112.029 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -76.43 130.0 11.52 Favored 'Trans proline' 0 C--N 1.397 3.113 0 C-N-CA 121.895 1.73 . . . . 99.99 112.513 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -117.36 103.17 9.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.655 0.782 . . . . 99.99 109.776 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.797 ' HB2' HD11 ' D' ' 136' ' ' LEU . 3.2 t80 -170.14 175.08 5.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.012 0.925 . . . . 99.99 109.243 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 46.2 t 57.96 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.809 1.244 . . . . 99.99 110.215 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 30.2 m -141.17 -29.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.389 0.675 . . . . 99.99 110.061 -176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.88 -38.32 75.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.81 1.244 . . . . 99.99 112.389 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t 63.43 36.45 11.39 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.195 0.998 . . . . 99.99 111.603 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.5 88.45 0.67 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.107 0.563 . . . . 99.99 110.933 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.17 174.04 12.37 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.499 1.119 . . . . 96.83 110.046 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 22.9 t -146.16 -177.73 5.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 99.99 109.704 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.6 -179.26 5.27 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 74.48 110.396 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.0 p -141.9 178.83 7.24 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.229 0.611 . . . . 99.99 111.73 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.83 156.67 30.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.053 -0.976 . . . . 99.99 110.349 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -90.51 160.85 15.77 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.885 0.874 . . . . 99.99 110.609 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 132' ' ' SER . . . . . 0.855 ' HA ' ' HB3' ' A' ' 124' ' ' PRO . 20.0 m -79.39 158.47 27.38 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.547 0.739 . . . . 99.99 112.715 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 133' ' ' THR . . . . . 0.538 ' HB ' HD23 ' E' ' 470' ' ' LEU . 14.7 t -104.28 -174.43 2.54 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 114.972 -1.013 . . . . 99.99 110.055 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.71 127.68 1.91 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.616 -0.594 . . . . 89.58 111.616 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.56 96.86 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.06 0.933 . . . . 99.99 110.23 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.788 ' HA ' ' HG3' ' C' ' 12' ' ' GLN . 3.9 ttmp? -72.18 -35.13 68.91 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.69 -1.141 . . . . 99.99 110.843 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 25.0 m -61.24 -30.15 70.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.387 1.075 . . . . 99.99 112.498 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 45.7 t80 68.67 -71.21 0.12 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.511 1.124 . . . . 99.99 108.832 -170.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 77.06 -67.13 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.592 1.557 . . . . 99.99 113.826 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 140' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' E' ' 464' ' ' MET . . . -51.82 -62.14 5.85 Favored Glycine 0 C--N 1.36 1.877 0 O-C-N 124.411 1.069 . . . . 99.99 114.224 -170.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 63.92 177.15 0.17 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.167 0.987 . . . . 99.99 113.049 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 136' ' ' LEU . 20.0 mt -100.27 -4.64 28.92 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.326 0.65 . . . . 99.99 111.907 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 176.12 25.61 0.03 OUTLIER Glycine 0 C--N 1.346 1.123 0 O-C-N 122.974 0.171 . . . . 99.99 113.036 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.27 138.51 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.098 0.959 . . . . 99.99 108.622 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.36 155.96 20.59 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tp -145.87 93.24 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.2 -1.037 . . . . 99.99 108.2 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -92.29 90.23 7.18 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.1 0.952 . . . . 99.99 109.564 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -128.03 106.22 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.108 -1.442 . . . . 99.99 107.108 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -77.24 155.47 32.12 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 122.934 0.493 . . . . 99.99 111.043 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.17 152.91 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.965 -1.016 . . . . 99.99 111.701 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -116.45 90.78 31.41 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.13 -35.63 11.21 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.868 2.379 . . . . 99.99 113.663 -169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 7.1 m 58.67 80.59 0.18 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.829 1.252 . . . . 99.99 109.177 -170.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -72.96 -3.53 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-N 114.822 -1.081 . . . . 99.99 112.245 -170.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.7 -48.75 76.99 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.396 1.078 . . . . 99.99 110.078 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -87.74 141.32 28.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.404 0.682 . . . . 99.99 110.058 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 48.7 ttm -166.88 -43.05 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.729 0.812 . . . . 99.99 110.426 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.23 60.13 0.9 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.793 0.437 . . . . 99.99 110.886 -173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 159' ' ' LYS . . . . . 0.417 ' HD2' ' HG3' ' E' ' 254' ' ' ARG . 8.9 tmtm? -65.25 -32.54 74.27 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.22 0.608 . . . . 99.99 110.226 175.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 160' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' E' ' 254' ' ' ARG . . . -72.87 -55.34 6.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.081 0.553 . . . . 99.99 110.153 172.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 64.76 -71.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.33 1.452 . . . . 99.99 111.392 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -173.6 128.55 1.51 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.69 -0.964 . . . . 99.99 110.69 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 25.3 tp -142.97 163.4 32.9 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.291 0.636 . . . . 99.99 109.467 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.53 -68.86 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.525 1.53 . . . . 99.99 110.47 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 24.9 m 63.11 92.49 0.06 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.4 1.08 . . . . 99.99 110.221 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -148.6 90.28 0.14 Allowed Glycine 0 C--N 1.343 0.96 0 N-CA-C 111.261 -0.736 . . . . 99.99 111.261 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -77.9 93.75 4.45 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.243 0.617 . . . . 99.99 109.947 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 168' ' ' VAL . . . . . 0.727 HG13 ' H ' ' E' ' 240' ' ' GLY . 85.7 t -75.98 -42.41 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.153 0.581 . . . . 99.99 109.95 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 88.4 p 67.51 -51.42 0.5 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.06 2.544 . . . . 99.99 113.941 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 3.1 m 61.26 25.98 15.89 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 124.701 1.2 . . . . 99.99 110.551 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 171' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' E' ' 424' ' ' TYR . . . -96.38 5.32 51.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.747 0.819 . . . . 99.99 112.128 -173.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 172' ' ' GLU . . . . . 0.544 ' HG2' HG21 ' E' ' 421' ' ' VAL . 45.4 mt-10 -93.09 150.01 20.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.747 0.819 . . . . 99.99 110.166 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 173' ' ' LEU . . . . . 0.407 ' HB3' ' HD3' ' E' ' 231' ' ' LYS . 3.0 mm? -86.43 79.28 9.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.844 0.83 . . . . 99.99 110.925 -167.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 174' ' ' GLN . . . . . 0.45 ' HB3' HG21 ' B' ' 7' ' ' THR . 80.5 mt-30 -88.48 83.62 6.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.857 -1.164 . . . . 99.99 107.857 169.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -140.05 -42.78 0.42 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.518 1.127 . . . . 99.99 109.892 -171.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 176' ' ' ALA . . . . . 0.576 ' H ' ' HD2' ' E' ' 231' ' ' LYS . . . 74.01 -16.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.493 1.517 . . . . 99.99 114.193 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 177' ' ' THR . . . . . 0.468 HG23 ' NZ ' ' E' ' 231' ' ' LYS . 14.4 p 46.96 78.15 0.42 Allowed Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 124.701 1.2 . . . . 99.99 111.374 -165.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.94 100.95 0.37 Allowed 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.327 2.685 . . . . 99.99 112.086 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -99.58 -50.9 3.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.529 0.732 . . . . 99.99 109.378 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 65.33 174.56 0.21 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.904 1.282 . . . . 99.99 112.373 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.04 170.07 16.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.691 0.796 . . . . 99.99 109.644 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.19 105.27 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.264 -0.643 . . . . 99.99 109.264 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -77.36 77.66 3.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.864 0.866 . . . . 99.99 109.821 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -143.98 -62.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.311 1.444 . . . . 99.99 107.478 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 91.5 t 65.7 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 125.168 1.387 . . . . 99.99 109.945 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 19.8 m 74.56 -73.71 0.09 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.627 1.571 . . . . 99.99 111.832 171.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.4 m -74.8 -30.19 61.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.332 0.653 . . . . 99.99 112.212 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 62.05 42.41 9.95 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.321 1.048 . . . . 99.99 109.081 -172.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.52 17.78 11.05 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 114.014 -1.448 . . . . 99.99 110.972 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 45.0 t 65.76 -72.48 0.07 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.746 1.618 . . . . 99.99 112.223 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -72.56 -37.25 68.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.303 1.041 . . . . 99.99 110.361 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.35 54.03 22.21 Favored Glycine 0 CA--C 1.542 1.76 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.116 -171.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -86.08 13.19 2.81 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.735 2.29 . . . . 99.99 112.792 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 194' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' E' ' 197' ' ' SER . 16.2 m -72.25 -48.21 44.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.98 0.912 . . . . 99.99 110.248 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 56.33 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.304 1.442 . . . . 99.99 111.953 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 196' ' ' THR . . . . . 0.435 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . 10.1 t -80.97 -13.14 59.15 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.006 0.922 . . . . 99.99 111.782 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 197' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' E' ' 194' ' ' SER . 24.3 m -81.52 -39.92 23.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.429 0.691 . . . . 99.99 111.954 -174.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.66 81.67 5.89 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 112.124 0.416 . . . . 99.99 112.124 -174.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 43.89 52.28 6.63 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.686 1.595 . . . . 99.99 113.36 164.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' E' ' 196' ' ' THR . 57.5 m -67.63 -42.23 34.71 Favored Pre-proline 0 CA--C 1.559 1.315 0 CA-C-N 114.995 -1.002 . . . . 99.99 112.067 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -61.56 -26.49 80.67 Favored 'Trans proline' 0 C--N 1.398 3.169 0 C-N-CA 121.612 1.541 . . . . 99.99 112.706 167.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.33 25.9 73.58 Favored Glycine 0 C--N 1.356 1.64 0 O-C-N 123.677 0.611 . . . . 99.99 113.191 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -159.35 156.67 28.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.172 0.989 . . . . 99.99 109.104 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.23 77.1 4.73 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.676 0.79 . . . . 99.99 110.926 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 9.3 mp 55.69 28.19 11.74 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.908 1.283 . . . . 99.99 112.788 173.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.11 26.07 15.19 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.626 1.17 . . . . 99.99 112.232 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -74.7 107.24 6.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.791 0.836 . . . . 99.99 109.318 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -109.45 -74.87 0.82 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 110.837 -0.905 . . . . 99.99 110.837 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.66 48.66 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.156 -0.378 . . . . 99.99 112.156 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -103.34 -42.66 5.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.698 0.799 . . . . 99.99 111.313 -175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 106.5 -163.9 13.52 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.395 -0.821 . . . . 99.99 111.684 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 63.3 m -146.77 154.59 41.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.467 0.707 . . . . 99.99 110.776 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 35.2 pt -75.37 -8.84 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.989 0.916 . . . . 99.99 111.93 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 5.6 m -66.47 -40.62 89.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.257 1.023 . . . . 99.99 111.407 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -70.91 -41.43 71.23 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.748 0.819 . . . . 99.99 109.69 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -21.36 66.3 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.992 0.917 . . . . 99.99 109.849 177.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 90.5 mt 73.09 3.66 4.73 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.594 1.558 . . . . 99.99 111.846 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 218' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' E' ' 423' ' ' SER . 22.6 tp 52.82 68.19 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.963 1.305 . . . . 99.99 110.743 -177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.44 -25.18 64.88 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.714 0.406 . . . . 99.99 111.488 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.77 -88.44 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.731 1.212 . . . . 99.99 111.554 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 63.87 -65.67 0.12 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.962 1.705 . . . . 99.99 113.568 -176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -56.75 90.79 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.507 1.123 . . . . 99.99 112.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.19 -24.32 16.31 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 99.99 109.681 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.92 169.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.091 -0.959 . . . . 99.99 111.617 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 7.7 m -77.99 116.47 18.5 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.716 -0.675 . . . . 99.99 110.988 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 91.4 mt -120.02 -51.33 2.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.832 0.853 . . . . 99.99 109.416 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 82.03 123.1 0.69 Allowed Glycine 0 C--N 1.35 1.309 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 74.32 88.72 0.2 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -69.3 74.77 0.38 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.151 -0.78 . . . . 99.99 111.151 173.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 63.71 -74.23 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.691 1.596 . . . . 99.99 110.665 -170.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.576 ' HD2' ' H ' ' E' ' 176' ' ' ALA . 37.0 ttpt 64.74 93.97 0.06 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.804 1.241 . . . . 99.99 111.927 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 t -101.41 86.7 3.03 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.143 -1.058 . . . . 99.99 108.143 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 66.45 -77.91 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.706 1.202 . . . . 99.99 110.099 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -158.91 124.76 4.42 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.003 0.921 . . . . 99.99 108.774 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.37 115.61 6.49 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.439 0.696 . . . . 99.99 109.929 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.5 m -129.84 19.35 5.57 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.408 1.083 . . . . 99.99 109.363 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -81.0 -13.86 58.47 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.19 0.996 . . . . 99.99 112.155 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 11.8 t -159.7 -162.11 0.99 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.37 1.468 . . . . 99.99 107.251 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 72.33 179.31 0.23 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.74 1.216 . . . . 99.99 111.902 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 240' ' ' GLY . . . . . 0.727 ' H ' HG13 ' E' ' 168' ' ' VAL . . . -112.78 96.74 0.84 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.19 138.3 58.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.304 0.642 . . . . 99.99 110.481 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 78.41 -23.01 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.836 1.654 . . . . 99.99 112.126 -175.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 66.6 46.58 1.78 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.022 1.329 . . . . 99.99 110.786 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -79.03 79.11 1.63 Allowed Glycine 0 C--N 1.341 0.855 0 CA-C-N 114.991 -1.004 . . . . 99.99 111.047 172.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.3 97.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.051 0.54 . . . . 99.99 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.8 m 68.4 109.42 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 124.556 1.16 . . . . 99.99 112.506 166.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.28 -19.31 65.48 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.948 0.899 . . . . 99.99 110.455 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -76.13 -9.26 58.48 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.439 1.095 . . . . 99.99 112.097 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -16.66 0.05 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 116.344 1.979 . . . . 99.99 116.344 -158.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -54.74 -22.51 14.26 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 123.86 0.864 . . . . 99.99 111.831 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -62.95 -11.94 22.1 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.669 1.587 . . . . 99.99 112.825 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -52.02 -27.4 13.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.162 0.985 . . . . 99.99 112.53 174.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.05 -57.82 6.87 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.168 0.587 . . . . 99.99 109.518 171.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 254' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' E' ' 160' ' ' ALA . 5.2 tpm_? 60.7 -70.5 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.552 1.941 . . . . 99.99 113.558 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -73.92 78.92 0.89 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.667 -0.973 . . . . 99.99 110.667 171.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.4 -42.43 83.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.662 0.785 . . . . 99.99 109.394 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 59.13 20.64 8.6 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.316 1.447 . . . . 99.99 113.345 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 tp -73.98 -32.47 63.43 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.868 0.867 . . . . 99.99 110.221 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 33.8 m -77.98 -15.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.619 0.767 . . . . 99.99 111.402 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 41.9 p -114.74 11.38 16.8 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.213 1.005 . . . . 99.99 111.361 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.52 -15.73 59.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.07 0.948 . . . . 99.99 111.951 -174.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.84 -17.15 34.27 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.437 1.095 . . . . 99.99 112.814 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.16 75.68 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.512 0.725 . . . . 99.99 110.452 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 21.7 t 74.16 -18.78 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.287 1.435 . . . . 99.99 113.866 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 62.65 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.466 1.506 . . . . 99.99 109.924 -176.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -159.81 126.77 4.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.125 0.97 . . . . 99.99 108.596 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.9 m -135.81 2.04 2.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.981 0.912 . . . . 99.99 110.948 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.58 47.4 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-O 122.582 1.182 . . . . 99.99 108.791 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 35.4 p -95.54 15.33 20.07 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.537 -1.211 . . . . 99.99 110.599 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 56.01 -97.82 0.08 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.601 1.16 . . . . 99.99 109.848 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -95.57 -71.75 0.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.83 0.452 . . . . 99.99 110.608 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -121.13 -57.08 1.88 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.915 0.886 . . . . 99.99 110.435 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.606 ' HG3' HG21 ' C' ' 10' ' ' THR . 1.5 tm0? -102.86 -87.69 0.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.589 0.355 . . . . 99.99 110.421 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -139.46 -42.22 0.45 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.836 0.854 . . . . 99.99 109.26 169.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.88 123.95 34.9 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.01 95.24 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 121.971 1.781 . . . . 99.99 110.213 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.456 ' HG ' HG12 ' C' ' 89' ' ' ILE . 0.3 OUTLIER -134.48 -129.74 0.16 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 118.879 -0.582 . . . . 99.99 109.621 -175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.726 HD13 ' HB ' ' C' ' 86' ' ' ILE . 37.9 tp 61.6 158.79 0.05 Allowed 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.762 1.225 . . . . 99.99 111.238 -160.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 107.45 115.72 3.99 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' C' ' 95' ' ' ALA . 0.8 OUTLIER -170.15 -70.75 0.02 OUTLIER 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.213 -1.402 . . . . 99.99 107.213 178.379 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.81 175.22 0.17 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.884 1.274 . . . . 99.99 110.588 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -156.79 115.85 3.39 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.996 -0.44 . . . . 99.99 109.957 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 64.92 -83.47 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.939 1.296 . . . . 99.99 111.601 172.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 118.43 -60.04 0.49 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-O 120.211 -0.216 . . . . 99.99 112.662 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.78 64.91 6.68 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.421 1.105 . . . . 99.99 110.357 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 69.4 mtm -88.31 158.55 49.02 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.501 1.12 . . . . 99.99 109.069 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 287' ' ' PRO . . . . . 0.466 ' HG2' HD13 ' C' ' 136' ' ' LEU . 14.4 Cg_exo -35.25 88.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 125.202 3.935 . . . . 99.99 116.657 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.466 HG21 ' HG ' ' C' ' 44' ' ' LEU . 57.3 t -123.08 -75.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 106.219 -1.771 . . . . 99.99 106.219 165.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.42 ' NH2' ' H ' ' C' ' 44' ' ' LEU . 5.7 mmp_? 45.75 -86.73 0.01 OUTLIER 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.286 1.434 . . . . 99.99 111.441 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.423 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -169.04 115.19 0.6 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 170.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.423 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.17 104.73 0.21 Allowed Glycine 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.07 104.82 0.21 Allowed 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.675 2.917 . . . . 99.99 112.555 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.68 121.56 28.53 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -62.85 100.5 0.2 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.862 0.865 . . . . 99.99 111.018 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 20.4 m -74.29 165.86 24.46 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.162 0.985 . . . . 99.99 109.301 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.71 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 5.0 m-30 73.14 -0.11 3.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.294 1.038 . . . . 99.99 112.6 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.42 84.31 0.81 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.178 0.991 . . . . 99.99 110.125 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 73.1 -126.68 10.44 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.096 -174.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 300' ' ' ASN . . . . . 0.449 ' HB2' ' HG3' ' C' ' 124' ' ' PRO . 20.3 m120 65.54 -74.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.577 1.551 . . . . 99.99 111.4 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.497 ' HB ' ' HG3' ' E' ' 304' ' ' PRO . 47.2 pt -90.43 55.04 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 CA-C-O 122.266 1.031 . . . . 99.99 110.681 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.36 -23.29 64.16 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.213 -0.903 . . . . 99.99 110.877 172.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' E' ' 303' ' ' LYS . 4.2 ttmp? -154.57 100.02 2.42 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 167.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.497 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 27.0 Cg_exo -64.2 -16.09 53.06 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 123.37 2.713 . . . . 99.99 113.153 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -74.49 129.41 37.7 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.084 -0.71 . . . . 99.99 109.084 172.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 66.3 t -78.16 140.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.753 0.821 . . . . 99.99 111.105 -170.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 33.0 p -62.14 140.96 58.4 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.412 1.085 . . . . 99.99 110.278 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' E' ' 83' ' ' ALA . 49.6 t -101.02 100.19 10.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.939 0.496 . . . . 99.99 111.254 -175.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 6.8 m -142.22 93.18 7.31 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.647 -0.871 . . . . 99.99 108.647 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 310' ' ' PRO . . . . . 0.42 ' HG3' HE22 ' E' ' 3' ' ' GLN . 49.9 Cg_endo -87.02 25.52 0.67 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 123.165 2.577 . . . . 99.99 113.335 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -76.28 115.59 48.49 Favored Pre-proline 0 N--CA 1.482 1.141 0 C-N-CA 124.135 0.974 . . . . 99.99 111.732 -171.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -101.41 -162.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 123.73 2.953 . . . . 99.99 111.875 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -135.63 2.72 2.96 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.465 1.106 . . . . 99.99 110.35 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' E' ' 10' ' ' LEU . 31.1 mmt180 -85.76 93.99 9.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.721 0.808 . . . . 99.99 111.772 -177.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.24 23.57 1.04 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.025 0.93 . . . . 99.99 109.34 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.57 76.41 2.59 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.5 1.12 . . . . 99.99 111.217 -173.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 26.4 p -91.62 127.26 37.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.635 1.174 . . . . 99.99 110.897 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 6.1 p -113.39 131.26 23.03 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 123.717 0.807 . . . . 99.99 109.935 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.7 87.54 1.37 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.747 2.298 . . . . 99.99 110.703 172.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 40.1 p -63.83 -50.49 68.68 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.167 0.987 . . . . 99.99 112.304 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' E' ' 324' ' ' MET . 3.2 pp -68.73 -30.59 69.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.454 0.701 . . . . 99.99 111.522 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 65.32 -74.71 0.05 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.472 1.509 . . . . 99.99 113.023 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.33 -71.76 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.993 0.917 . . . . 99.99 111.978 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.555 ' HB2' HD13 ' E' ' 321' ' ' LEU . 0.7 OUTLIER 60.17 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.01 1.324 . . . . 99.99 109.973 -167.308 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.8 t -152.26 158.19 42.46 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.583 0.753 . . . . 99.99 110.291 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -110.12 -53.9 2.63 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.96 0.504 . . . . 99.99 110.579 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 60.25 7.5 1.28 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.213 1.405 . . . . 99.99 112.998 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.03 -51.89 8.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.139 0.976 . . . . 99.99 110.46 -173.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 13.7 tt -66.5 -31.86 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 115.584 -0.735 . . . . 99.99 110.882 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.21 -44.4 79.67 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.034 0.534 . . . . 99.99 110.403 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 331' ' ' LEU . . . . . 0.457 HD23 HD21 ' E' ' 335' ' ' ASN . 8.7 tt -68.93 -35.03 76.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.812 0.445 . . . . 99.99 110.043 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.49 150.49 29.65 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.764 0.826 . . . . 99.99 110.72 -173.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.0 t 85.74 -48.52 0.07 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.748 2.019 . . . . 99.99 112.275 171.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' E' ' 331' ' ' LEU . 0.0 OUTLIER -73.92 -4.87 37.72 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.54 0.57 . . . . 99.99 112.54 -178.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 335' ' ' ASN . . . . . 0.457 HD21 HD23 ' E' ' 331' ' ' LEU . 10.1 m120 -55.48 114.19 1.73 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.563 1.145 . . . . 99.99 110.399 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 79.67 -21.57 0.32 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 125.358 1.463 . . . . 99.99 111.676 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -65.11 102.62 0.65 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.729 0.812 . . . . 99.99 111.2 -175.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 137.27 -143.8 15.12 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 64.5 t80 58.36 70.06 0.68 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.851 1.261 . . . . 99.99 111.243 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 54.85 28.27 10.16 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.509 1.124 . . . . 99.99 113.193 168.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.09 -24.16 65.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.079 0.952 . . . . 99.99 112.102 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -125.33 83.04 2.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.311 0.644 . . . . 99.99 110.528 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 82.7 t -115.07 111.33 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.47 157.86 34.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.247 1.019 . . . . 99.99 111.141 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -137.03 174.03 21.88 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.308 -0.405 . . . . 99.99 112.771 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.28 82.92 0.15 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 99.99 110.648 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 52.0 m -140.26 81.5 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.566 -0.743 . . . . 99.99 109.755 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -89.83 126.54 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.878 -0.601 . . . . 99.99 109.595 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.16 151.58 34.13 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.355 1.062 . . . . 99.99 109.917 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 65.22 91.87 0.08 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.819 1.247 . . . . 99.99 112.026 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 63.39 15.38 8.68 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.559 1.144 . . . . 99.99 113.057 163.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 25.4 t70 54.83 -110.57 0.57 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 124.928 1.291 . . . . 99.99 111.687 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.41 -32.9 8.81 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 118.844 0.747 . . . . 99.99 111.215 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -171.21 -26.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.998 1.319 . . . . 99.99 109.872 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 69.45 -93.53 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.718 1.607 . . . . 99.99 109.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 166.8 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 125.554 1.542 . . . . 99.99 111.343 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.64 -13.14 36.53 Favored 'Trans proline' 0 C--N 1.398 3.133 0 C-N-CA 121.835 1.69 . . . . 99.99 113.328 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.2 125.0 29.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.604 -0.517 . . . . 99.99 109.604 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 87.76 155.64 29.03 Favored Glycine 0 C--N 1.34 0.794 0 O-C-N 123.722 0.639 . . . . 99.99 112.026 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 75.12 -40.31 0.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.816 1.646 . . . . 99.99 112.563 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 33.1 pt -53.42 107.12 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 124.167 0.987 . . . . 99.99 111.542 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.17 -45.31 0.84 Allowed Glycine 0 C--N 1.332 0.32 0 N-CA-C 110.506 -1.038 . . . . 99.99 110.506 -173.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.66 74.12 2.65 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.343 1.057 . . . . 99.99 110.403 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 40.2 p -85.95 -26.99 25.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.081 -0.963 . . . . 99.99 110.055 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 17.8 m -90.25 149.48 4.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.507 -0.77 . . . . 99.99 110.397 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.75 96.67 4.44 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.902 0.881 . . . . 99.99 109.988 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.76 -35.03 79.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.789 -1.189 . . . . 99.99 107.789 167.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.81 -55.73 13.06 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.268 -1.333 . . . . 99.99 112.156 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 369' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' E' ' 372' ' ' GLN . 32.0 tt0 -49.17 -37.07 21.21 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.832 1.253 . . . . 99.99 113.664 -170.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.51 69.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.025 0.828 . . . . 99.99 111.742 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 30.7 m -87.2 -25.29 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 115.851 -0.613 . . . . 99.99 111.183 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 372' ' ' GLN . . . . . 0.432 ' HB3' ' HA ' ' E' ' 369' ' ' GLU . 6.6 tp60 -63.08 -32.69 74.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.569 1.147 . . . . 99.99 111.087 -175.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -54.01 -44.06 70.59 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.898 0.879 . . . . 99.99 111.056 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -83.83 -48.99 9.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.582 0.753 . . . . 99.99 111.364 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.87 -20.47 62.52 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.544 0.942 . . . . 99.99 113.544 -169.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -29.85 69.73 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.247 0.476 . . . . 99.99 110.372 -177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.86 -37.95 88.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.271 0.628 . . . . 99.99 111.156 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -81.68 -47.7 12.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.52 -0.764 . . . . 99.99 111.406 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.94 -39.03 66.59 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.476 1.111 . . . . 99.99 112.4 -167.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 380' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' E' ' 380' ' ' LYS . 32.8 ttpt -62.55 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.457 1.103 . . . . 99.99 110.904 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.34 -173.21 3.96 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.214 1.406 . . . . 99.99 108.873 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 77.09 -150.32 37.16 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.621 -0.591 . . . . 99.99 111.621 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -139.34 -73.99 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 14.1 m 67.33 -14.43 0.19 Allowed 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.257 1.423 . . . . 99.99 114.367 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.57 -13.51 62.13 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.311 -0.868 . . . . 99.99 112.819 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.5 113.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 123.341 0.656 . . . . 99.99 110.025 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.25 112.15 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.404 1.082 . . . . 99.99 108.601 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.02 112.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.58 -0.896 . . . . 99.99 108.58 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 40.5 m -143.4 112.25 6.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.618 0.767 . . . . 99.99 109.879 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -80.04 161.28 25.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.927 0.891 . . . . 99.99 111.024 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.18 115.97 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -80.56 11.89 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.1 0.56 . . . . 99.99 111.745 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.6 168.66 17.18 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.829 0.851 . . . . 99.99 110.556 171.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.87 -30.79 70.36 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.58 0.752 . . . . 99.99 111.087 -176.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 62.72 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.281 1.432 . . . . 99.99 111.097 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 45.4 m -131.48 15.67 4.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.342 0.657 . . . . 99.99 111.654 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.49 82.87 4.72 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.204 0.602 . . . . 99.99 110.122 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 18.5 mm -116.7 32.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 107.69 -1.226 . . . . 99.99 107.69 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 m -76.22 89.01 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-N 114.677 -1.147 . . . . 99.99 112.224 -173.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 61.29 92.7 0.06 OUTLIER Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 124.79 1.236 . . . . 99.99 113.382 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 128.41 20.35 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.04 1.827 . . . . 99.99 110.832 171.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.0 79.1 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.058 0.943 . . . . 99.99 110.902 -172.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -64.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.067 2.147 . . . . 99.99 107.239 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 58.29 -77.62 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.127 1.771 . . . . 99.99 112.695 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.44 100.5 26.45 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 108.579 -0.897 . . . . 99.99 108.579 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.24 92.68 1.12 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.689 2.26 . . . . 99.99 112.918 -173.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 82.34 -71.92 2.9 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.986 -0.552 . . . . 99.99 112.461 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.31 101.08 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.452 1.501 . . . . 99.99 109.927 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 10.1 t -113.04 158.78 19.88 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.736 0.814 . . . . 99.99 109.283 174.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -165.45 -51.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.817 0.847 . . . . 99.99 109.083 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -76.87 88.34 3.45 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.425 0.69 . . . . 99.99 111.369 -176.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.569 HD23 ' H ' ' E' ' 412' ' ' LEU . 2.3 pt? -92.03 85.96 5.68 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.915 0.864 . . . . 99.99 108.967 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -63.71 97.01 0.14 Allowed 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.102 -0.954 . . . . 99.99 111.141 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.5 p -91.02 50.99 1.87 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.765 0.826 . . . . 99.99 109.861 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -12.89 61.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.929 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.27 -7.38 58.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.861 0.864 . . . . 99.99 110.811 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.35 81.51 0.28 Allowed Glycine 0 C--N 1.357 1.735 0 O-C-N 123.655 0.597 . . . . 99.99 113.246 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -76.02 103.32 6.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.652 0.781 . . . . 99.99 109.151 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.28 -3.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.976 0.91 . . . . 99.99 111.788 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 25.1 ptm -152.2 -163.5 1.75 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.668 1.187 . . . . 99.99 107.938 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 421' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' E' ' 172' ' ' GLU . 26.9 m -53.0 132.47 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.299 0.639 . . . . 99.99 112.492 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -70.56 -28.76 65.15 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.682 0.793 . . . . 99.99 110.818 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 423' ' ' SER . . . . . 0.407 ' HA ' HD11 ' E' ' 218' ' ' LEU . 79.9 p -161.65 -166.91 1.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.256 1.022 . . . . 99.99 109.56 -173.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 424' ' ' TYR . . . . . 0.404 ' HD2' ' HB3' ' E' ' 171' ' ' ALA . 86.8 m-85 -117.43 27.78 8.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 99.99 110.115 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 63.06 -134.05 43.15 Favored Glycine 0 C--N 1.355 1.632 0 CA-C-N 115.537 -0.756 . . . . 99.99 113.048 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.37 126.39 22.66 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.821 0.848 . . . . 99.99 109.622 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 18.1 p -86.32 -36.0 19.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.068 0.947 . . . . 99.99 109.33 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.6 141.19 50.02 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.706 -1.134 . . . . 99.99 109.431 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.53 -66.78 0.54 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 118.285 -0.864 . . . . 99.99 112.839 -169.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.47 -81.03 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.286 1.403 . . . . 99.99 111.164 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 46.4 m -104.27 -61.49 1.44 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.34 1.056 . . . . 99.99 110.394 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 432' ' ' GLN . . . . . 0.42 ' HG3' ' H ' ' E' ' 433' ' ' GLU . 11.6 pt20 -90.88 -66.17 0.95 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.016 -0.993 . . . . 99.99 111.591 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' E' ' 432' ' ' GLN . 4.4 tp10 164.33 -176.24 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.78 1.232 . . . . 99.99 108.14 -167.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -124.15 -168.22 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.902 0.881 . . . . 99.99 109.299 162.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m 76.23 137.48 0.06 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.36 1.464 . . . . 99.99 111.985 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -148.03 161.23 28.54 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 116.658 -0.246 . . . . 99.99 112.964 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 18.5 t -157.07 -33.76 0.08 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.471 1.108 . . . . 99.99 109.709 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -66.47 91.63 0.18 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.542 1.137 . . . . 99.99 109.6 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 65.13 112.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.13 1.372 . . . . 99.99 109.974 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.485 ' NH1' HD22 ' A' ' 75' ' ' LEU . 79.9 mtt180 -90.67 58.22 3.83 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.269 0.628 . . . . 99.99 111.188 -175.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 25.0 pt 46.06 21.1 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 C-N-CA 126.444 1.897 . . . . 99.99 115.714 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 66.28 133.89 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.03 1.332 . . . . 99.99 112.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -159.94 -168.19 2.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.434 1.094 . . . . 99.99 108.729 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 3.1 t80 69.85 101.19 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.811 1.245 . . . . 99.99 110.927 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -138.5 142.34 12.98 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-O 118.777 -1.013 . . . . 99.99 111.447 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.19 170.24 19.57 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.219 2.613 . . . . 99.99 113.056 -177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -113.58 -60.1 1.93 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.544 -0.539 . . . . 99.99 109.544 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 57.58 179.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.398 1.079 . . . . 99.99 112.553 -174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -172.31 -175.09 1.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.596 0.758 . . . . 99.99 110.391 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -90.17 166.97 13.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.941 0.896 . . . . 99.99 109.806 171.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 87.5 t 73.06 -61.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.347 1.459 . . . . 99.99 111.516 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.455 HG13 HD13 ' A' ' 98' ' ' LEU . 33.2 t -69.35 -66.2 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 108.366 -0.976 . . . . 99.99 108.366 171.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 73.0 -90.15 0.58 Allowed Glycine 0 C--N 1.357 1.726 0 O-C-N 123.916 0.76 . . . . 99.99 114.825 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 46' ' ' THR . 10.2 mp 61.41 -87.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.307 1.443 . . . . 99.99 111.222 -171.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 455' ' ' THR . . . . . 0.524 HG22 ' H ' ' E' ' 456' ' ' ASP . 3.8 m 62.79 179.23 0.14 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.688 1.195 . . . . 99.99 110.667 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 456' ' ' ASP . . . . . 0.524 ' H ' HG22 ' E' ' 455' ' ' THR . 2.7 m-20 65.67 -90.33 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.866 1.266 . . . . 99.99 110.816 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -174.22 37.15 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.078 0.951 . . . . 99.99 109.726 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 26.9 m -53.87 115.01 1.78 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.152 0.981 . . . . 99.99 113.403 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.5 -146.56 0.38 Allowed 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.881 1.273 . . . . 99.99 111.55 167.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 69.73 -4.14 1.5 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.022 1.729 . . . . 99.99 113.241 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 56.37 -76.93 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.849 2.06 . . . . 99.99 114.489 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -95.33 170.56 9.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.111 1.764 . . . . 99.99 111.658 -168.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.5 p -146.13 120.15 9.41 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.758 1.223 . . . . 99.99 107.883 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.5 ' SD ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -90.59 162.7 14.87 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.211 0.605 . . . . 99.99 112.301 -174.113 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -166.36 126.99 1.69 Allowed 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -149.8 -173.48 4.43 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.048 0.451 . . . . 99.99 111.43 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -123.94 163.77 20.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.447 1.099 . . . . 99.99 108.738 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 23.6 tp -74.09 -60.65 2.17 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 110.307 -0.257 . . . . 99.99 110.307 -175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.82 -88.12 0.5 Allowed Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.567 -0.574 . . . . 99.99 112.485 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' E' ' 133' ' ' THR . 69.8 mt 68.56 -176.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.088 1.355 . . . . 99.99 112.424 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 124.146 0.978 . . . . 99.99 108.969 175.899 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpp? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 58.78 -80.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.195 1.398 . . . . 99.99 111.022 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.78 -54.17 0.82 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.344 1.058 . . . . 99.99 108.294 172.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 64.91 9.68 5.57 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.084 1.354 . . . . 99.99 111.274 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.41 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.169 1.388 . . . . 99.99 110.942 -167.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 63.37 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.066 1.346 . . . . 99.99 110.659 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -79.86 169.9 17.26 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.06 0.944 . . . . 99.99 110.461 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 63.73 -87.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.706 1.202 . . . . 99.99 110.451 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 51.6 ttm -70.18 128.29 35.74 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.273 -0.64 . . . . 99.99 109.273 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' E' ' 451' ' ' VAL . 1.7 p -162.66 142.75 9.5 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.657 0.783 . . . . 99.99 110.655 -171.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -116.41 118.84 33.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.658 1.183 . . . . 99.99 107.986 173.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -135.59 135.5 40.32 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.684 0.794 . . . . 99.99 109.005 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 HH12 ' HA ' ' B' ' 29' ' ' PRO . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 87.02 110.016 -167.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 27.8 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 12.57 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 37.56 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 5.43 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 6.92 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 5.61 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 12.68 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 32.78 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.713 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 57.34 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 48.36 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 97.85 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 43.33 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 41.53 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 88.8 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 73.87 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD11 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB2' HD11 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.04 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 54.22 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG22 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 29.36 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 19.86 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 13.6 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 17.22 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 14.92 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 21.43 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 23.61 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 57.75 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 93.1 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 30.12 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 22.88 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 30.01 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 14.44 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 9.47 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 52.1 tp60 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 20.02 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 66.87 108.469 171.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -80.46 101.31 8.99 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.0 tp -95.99 169.66 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.182 -1.044 . . . . 99.99 108.182 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 9' ' ' MET . . . -150.48 136.87 18.77 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.639 -0.696 . . . . 99.99 109.244 168.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.52 -11.07 66.94 Favored Glycine 0 CA--C 1.535 1.288 0 N-CA-C 116.435 1.334 . . . . 99.99 116.435 162.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 2.6 mp -118.02 147.35 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 CA-C-N 119.116 1.458 . . . . 99.99 109.329 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -149.74 173.02 14.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.743 0.817 . . . . 99.99 109.609 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.79 -155.95 50.15 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 114.463 0.545 . . . . 99.99 114.463 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 13.8 t -71.19 -31.75 68.02 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.959 0.504 . . . . 99.99 111.169 -176.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -35.41 77.39 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.183 0.593 . . . . 99.99 110.413 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' HD13 ' A' ' 98' ' ' LEU . 2.5 tpt -70.93 -45.71 63.75 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 168.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' THR . . . -62.63 -17.15 59.76 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.59 0.959 . . . . 99.99 113.59 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -82.51 -30.48 29.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.906 0.482 . . . . 99.99 111.1 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' E' ' 454' ' ' LEU . 35.6 t -62.87 -44.46 96.07 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.732 0.777 . . . . 99.99 109.295 166.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 94' ' ' MET . 8.2 mp -79.52 -10.26 59.77 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.874 -1.512 . . . . 99.99 112.471 -174.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 95.56 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 94.48 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 73.2 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 48.9 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 94.19 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 105' ' ' ILE . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 55.88 110.026 166.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 21.71 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.527 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 15.39 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 9.95 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 20.66 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 80' ' ' GLN . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 7.34 111.08 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 15.45 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 4.41 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 7.34 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.475 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 7.28 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 4.96 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 48.88 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 26.6 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 17.97 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 8.38 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.436 HG22 HH21 ' B' ' 15' ' ' ARG . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 20.1 111.398 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 13.71 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 20.05 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 56.76 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.4 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.527 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 62.97 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 56.46 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' E' ' 141' ' ' ALA . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 77.42 111.396 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' E' ' 462' ' ' TYR . 37.2 t -132.19 131.13 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.659 ' HB2' ' HB2' ' E' ' 460' ' ' LEU . 24.4 t-20 -91.33 98.84 11.95 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 173.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -87.0 -8.53 57.1 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.871 -1.059 . . . . 99.99 110.857 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.28 -48.24 73.87 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.488 1.115 . . . . 99.99 112.516 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.66 67.33 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.329 0.585 . . . . 99.99 110.714 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.66 -16.83 53.0 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.962 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -89.43 -22.82 22.34 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.231 1.012 . . . . 99.99 110.248 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 47.2 mtp -62.54 -34.7 77.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.784 0.434 . . . . 99.99 111.449 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -64.49 -20.4 66.18 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.372 0.269 . . . . 99.99 111.482 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -93.88 -31.21 14.42 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.095 0.958 . . . . 99.99 111.026 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -48.45 -40.24 25.55 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 125.591 1.556 . . . . 99.99 113.247 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 145' ' ' ALA . 6.2 tp-100 -144.84 21.6 1.62 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 109.012 -0.736 . . . . 99.99 109.012 -174.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 59.4 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.026 1.331 . . . . 99.99 111.838 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 64.51 16.04 9.99 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.11 1.364 . . . . 99.99 112.503 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 142' ' ' GLN . . . -79.42 69.18 5.62 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.879 0.847 . . . . 99.99 110.757 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.81 114.46 0.57 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.061 -1.215 . . . . 99.99 110.061 -175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -81.8 -28.76 33.0 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 123.403 0.681 . . . . 99.99 110.578 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 117.19 -17.64 12.56 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.343 -0.844 . . . . 99.99 111.45 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.2 m -89.6 -72.25 0.57 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.604 0.762 . . . . 99.99 109.493 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 46.55 42.57 11.31 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.227 1.411 . . . . 99.99 111.509 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.64 -43.68 72.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.738 -1.119 . . . . 99.99 110.586 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 71.66 -63.02 0.44 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.39 1.476 . . . . 99.99 112.394 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 74.19 -68.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.324 1.449 . . . . 99.99 110.604 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -141.23 -7.98 1.02 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.043 0.937 . . . . 99.99 110.378 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.582 0.753 . . . . 99.99 109.518 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.437 -0.579 . . . . 99.99 109.437 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m 72.46 162.39 0.26 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.251 1.42 . . . . 99.99 112.263 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' E' ' 233' ' ' PHE . 2.7 mp0 -72.59 -30.83 64.72 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.606 -1.179 . . . . 99.99 109.849 176.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 54.64 117.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 127.205 2.202 . . . . 99.99 113.964 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.73 177.83 4.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.595 0.758 . . . . 99.99 110.927 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -81.33 124.62 29.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.744 0.818 . . . . 99.99 111.219 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.1 p -132.86 -55.15 0.93 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.905 0.882 . . . . 99.99 109.112 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 86.41 4.1 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.483 1.113 . . . . 99.99 108.339 173.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.0 OUTLIER 67.29 169.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.602 1.561 . . . . 99.99 111.973 179.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.521 ' N ' ' SD ' ' B' ' 9' ' ' MET . 8.6 t -151.95 115.04 4.7 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.001 0.92 . . . . 99.99 108.518 168.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 -150.26 144.07 25.34 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 93.55 112.013 -175.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 40.88 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 85.25 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.436 HH21 HG22 ' A' ' 122' ' ' THR . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 95.33 110.314 -171.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 13.6 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 23.1 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.569 HG21 HD11 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 6.51 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 19.94 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 5.14 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 19.25 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.565 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 9.84 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 18.09 110.073 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 49.39 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.421 ' HA ' HH12 ' A' ' 15' ' ' ARG . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 98.87 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HB2' ' HB1' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 72.1 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 96.73 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 67.27 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.453 ' H ' ' HG3' ' E' ' 22' ' ' ARG . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 66.97 110.117 -168.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 35.64 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 74.75 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 43.74 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 89.61 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 85.91 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 76.71 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 98.07 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.615 HG11 HD22 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 57.34 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 21.57 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 62.33 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 95.32 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' B' ' 114' ' ' ILE . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 14.84 107.756 174.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 28.15 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.638 HG21 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 18.14 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 24.35 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 26.44 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 56.64 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.68 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 62.67 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 81.37 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 33.32 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.68 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 25.99 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.511 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 18.76 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 16.93 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 12.76 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' B' ' 113' ' ' CYS . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 8.91 108.858 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 33.15 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 11.78 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 39.34 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 63.88 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 82.93 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.556 ' HB ' ' HD2' ' B' ' 11' ' ' PHE . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 98.2 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.633 ' HE1' HD12 ' B' ' 98' ' ' LEU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.455 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.633 HD12 ' HE1' ' B' ' 94' ' ' MET . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 71.23 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 59.87 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 71.19 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.508 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 50.37 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' B' ' 102' ' ' CYS . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 36.29 114.139 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 87.59 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 37.19 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 13.07 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 10.37 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 12.29 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.43 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 8.75 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 59.14 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 13.3 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.638 HG21 HG21 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 9.86 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 13.13 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.02 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 26.78 110.779 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 13.3 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 29.79 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.61 HG23 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 23.15 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 23.84 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 29.89 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.511 HD23 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 72.13 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 73.04 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 90.81 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.495 ' HB2' ' HG2' ' E' ' 304' ' ' PRO . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 43.15 110.09 175.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.602 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 61.27 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.57 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' B' ' 135' ' ' ALA . 4.0 p-10 -83.42 70.69 10.25 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -68.67 -39.78 80.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.483 -1.235 . . . . 99.99 110.993 -172.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.657 ' HB2' ' HA ' ' E' ' 66' ' ' ASN . 7.8 p-10 -69.16 -42.88 75.33 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.202 1.001 . . . . 99.99 110.396 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' B' ' 132' ' ' ASN . . . -73.45 -23.61 60.11 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.578 0.751 . . . . 99.99 111.701 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.402 HD13 HD21 ' E' ' 10' ' ' LEU . 10.5 tt -58.2 -44.51 88.12 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.054 0.942 . . . . 99.99 109.401 173.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -76.43 -34.78 58.77 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 111.636 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 36.0 ttm -61.4 -39.04 89.27 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.716 0.806 . . . . 99.99 111.281 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ASN . . . . . 0.681 ' HB3' ' H ' ' E' ' 78' ' ' SER . 84.5 m-20 -75.02 -7.54 53.96 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.876 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -90.37 -33.72 15.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.635 0.374 . . . . 99.99 111.413 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.14 28.46 8.04 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.96 0.504 . . . . 99.99 111.404 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.22 -87.7 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 124.388 1.075 . . . . 99.99 112.721 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -163.7 -171.83 2.66 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.222 1.409 . . . . 99.99 109.151 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 75.54 148.09 0.1 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.791 1.636 . . . . 99.99 111.524 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.02 -65.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.622 1.569 . . . . 99.99 111.398 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.15 89.9 0.34 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.312 -0.404 . . . . 99.99 112.382 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.25 -179.88 5.33 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.409 0.684 . . . . 99.99 110.542 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -162.19 -145.6 4.38 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 116.379 -0.373 . . . . 99.99 112.695 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.3 t -74.9 -20.36 59.75 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.636 0.774 . . . . 99.99 111.065 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.33 129.62 48.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.87 0.868 . . . . 99.99 109.812 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -67.52 -42.98 81.89 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.124 0.969 . . . . 99.99 112.208 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 63.3 m80 64.22 73.56 0.43 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.613 1.165 . . . . 99.99 109.923 -170.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -90.14 17.9 6.51 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.699 0.799 . . . . 99.99 110.642 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.91 87.47 4.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 99.99 108.836 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.516 -0.754 . . . . 99.99 108.972 -176.802 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.417 0.151 . . . . 99.99 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -117.51 -162.15 0.85 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.195 0.998 . . . . 99.99 109.343 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.83 128.92 38.39 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -69.04 -70.35 0.28 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.324 0.65 . . . . 99.99 110.841 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 64.01 153.04 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.0 1.32 . . . . 99.99 112.77 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ASN . . . . . 0.695 ' HB2' HE21 ' C' ' 93' ' ' GLN . 60.4 t30 -135.39 162.06 33.67 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.039 0.936 . . . . 99.99 108.604 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.509 HG23 ' H ' ' C' ' 8' ' ' GLU . 6.4 t -130.7 -69.74 0.64 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.09 0.556 . . . . 99.99 109.952 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.509 ' H ' HG23 ' C' ' 7' ' ' THR . 8.5 mp0 -117.72 -71.37 0.74 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.754 -0.832 . . . . 99.99 108.754 172.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.627 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 49.4 ttm 64.59 116.81 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.784 1.634 . . . . 99.99 111.496 -172.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 61.4 m -84.34 105.78 15.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.189 0.996 . . . . 99.99 109.485 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.424 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 -125.58 131.45 52.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.79 0.836 . . . . 99.99 109.961 -177.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.731 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.2 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.521 ' N ' HD12 ' C' ' 13' ' ' ILE . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 56.3 107.748 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 93.16 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 11.74 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.444 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 6.91 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 21.95 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 5.12 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 9.28 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 8.82 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 12.04 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 30.41 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.573 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 48.75 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 55.24 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' E' ' 303' ' ' LYS . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 88.6 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 68.93 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.568 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 87.15 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.713 HD13 HD11 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 94.05 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' E' ' 287' ' ' PRO . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 71.87 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.8 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 62.96 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 35.73 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.464 ' HB2' HH22 ' E' ' 440' ' ' ARG . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 56.22 110.144 -176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 43.42 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 94.06 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 81.86 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 29.6 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 20.9 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 69.19 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 14.53 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.42 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.437 HG23 HD13 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 17.7 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 29.53 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 32.22 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 59.66 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 97.29 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 76.35 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 37.0 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.67 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 34.06 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 39.96 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 16.54 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 9.25 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.804 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 25.23 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 10.6 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' C' ' 51' ' ' LEU . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 30.38 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.731 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.04 125.67 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.81 -8.37 10.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.438 0.695 . . . . 99.99 110.354 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.627 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -72.67 83.09 0.58 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 123.511 0.507 . . . . 99.99 112.653 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 35.5 mm -77.36 129.04 37.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.681 0.793 . . . . 99.99 109.769 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.508 ' HB3' ' H ' ' C' ' 94' ' ' MET . 0.9 OUTLIER -147.35 -33.07 0.28 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.816 0.447 . . . . 99.99 110.025 -177.623 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.02 -106.92 3.47 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 110.638 -0.985 . . . . 99.99 110.638 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -59.39 -49.77 76.52 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.682 0.793 . . . . 99.99 112.57 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.695 HE21 ' HB2' ' C' ' 6' ' ' ASN . 9.3 tp60 -73.81 -32.0 63.52 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.232 0.213 . . . . 99.99 111.125 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' C' ' 90' ' ' GLU . 24.7 ttt -55.82 -45.73 78.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.546 0.338 . . . . 99.99 110.108 170.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.96 60.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.735 1.214 . . . . 99.99 111.764 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -66.96 -52.69 39.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.337 0.655 . . . . 99.99 110.31 173.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.81 -36.5 72.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.821 -0.627 . . . . 99.99 111.524 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 68.51 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 56.52 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.475 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 56.59 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 39.21 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.454 HD11 HD21 ' E' ' 142' ' ' LEU . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 8.71 111.446 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 37.06 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 16.74 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 9.85 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.475 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 5.88 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 7.64 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.488 HH21 ' ND2' ' C' ' 127' ' ' ASN . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 20.64 111.764 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.411 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 13.9 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.437 HD13 HG23 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 8.58 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 8.54 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 6.56 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 5.22 111.384 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.409 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 28.53 110.592 174.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 17.6 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 15.17 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 24.81 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 29.42 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.427 ' O ' HG23 ' E' ' 296' ' ' THR . 0.4 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.435 HD13 HG21 ' E' ' 296' ' ' THR . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 59.85 111.369 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.488 ' ND2' HH21 ' C' ' 111' ' ' ARG . 33.3 m120 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 41.85 109.01 164.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.713 HD11 HD13 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 38.57 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 24.62 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 130' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 24.48 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 68.05 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 133' ' ' PHE . . . . . 0.554 ' HA ' HD23 ' C' ' 136' ' ' LEU . 13.0 p90 -82.86 -1.9 53.26 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.94 -43.43 73.37 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.511 0.724 . . . . 99.99 111.862 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.43 83.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.657 0.783 . . . . 99.99 111.724 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 136' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' C' ' 133' ' ' PHE . 3.8 mm? -67.4 -21.2 65.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.08 0.952 . . . . 99.99 112.167 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 137' ' ' PHE . . . . . 0.422 ' HD2' ' SD ' ' E' ' 286' ' ' MET . 58.4 t80 -68.15 -35.55 78.27 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.316 0.647 . . . . 99.99 110.957 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.6 -42.43 22.25 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.437 0.695 . . . . 99.99 110.566 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -56.15 -30.91 62.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.64 1.576 . . . . 99.99 113.625 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -154.04 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.28 0 C-N-CA 124.779 1.232 . . . . 99.99 113.702 -171.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 72.57 -67.51 0.26 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.768 1.627 . . . . 99.99 109.793 173.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.59 -34.01 77.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.909 0.883 . . . . 99.99 110.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 76.67 -52.57 0.58 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.668 1.587 . . . . 99.99 111.372 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 72.46 -72.84 0.11 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.557 1.543 . . . . 99.99 110.363 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.85 138.74 25.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.745 0.818 . . . . 99.99 108.994 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.02 26.55 0.44 Allowed Glycine 0 C--N 1.338 0.663 0 N-CA-C 111.866 -0.494 . . . . 99.99 111.866 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.1 134.86 38.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.237 0.615 . . . . 99.99 109.682 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.96 42.11 0.59 Allowed Glycine 0 C--N 1.337 0.639 0 N-CA-C 111.326 -0.709 . . . . 99.99 111.326 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 15.3 t -72.72 135.53 45.37 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.153 0.581 . . . . 99.99 109.877 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 66.49 144.92 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.259 1.424 . . . . 99.99 110.864 -170.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.05 -35.2 0.71 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.315 0.646 . . . . 99.99 109.752 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 70.4 t60 70.81 -3.58 1.94 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.758 1.223 . . . . 99.99 112.25 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.6 83.61 6.77 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.532 1.133 . . . . 99.99 108.335 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -78.77 -64.47 1.17 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.824 0.85 . . . . 99.99 111.226 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.462 0.705 . . . . 99.99 109.187 177.875 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.686 -0.487 . . . . 99.99 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t 60.95 -104.14 0.17 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 118.057 -0.973 . . . . 99.99 108.509 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 37.0 45.72 0.46 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 126.039 1.736 . . . . 99.99 114.553 163.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 57.75 71.5 0.57 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.469 1.108 . . . . 99.99 111.845 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 63.62 36.24 11.05 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.014 0.925 . . . . 99.99 112.259 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.69 80.29 2.04 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.654 0.782 . . . . 99.99 110.871 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -159.01 177.51 11.05 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.15 1.78 . . . . 99.99 108.133 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 64.99 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.666 1.186 . . . . 99.99 110.379 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 25.6 ttt -32.19 124.74 0.3 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.031 1.332 . . . . 99.99 113.792 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' THR . . . . . 0.42 HG23 ' HA ' ' E' ' 81' ' ' THR . 86.9 m -102.7 122.44 44.45 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 174.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 76.43 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.571 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 79.46 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ARG . . . . . 0.402 HH22 HG22 ' E' ' 301' ' ' ILE . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.602 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 53.22 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.564 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 19.87 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 8.43 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 36.9 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 4.02 107.789 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 7.64 110.296 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 5.08 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 7.19 108.151 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 13.41 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.641 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 12.01 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 20.55 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' HIS . . . . . 0.437 ' HE1' ' HB3' ' E' ' 429' ' ' GLU . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 22.26 110.365 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 34.6 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 31.63 109.965 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 49.29 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 31.29 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.42 HG11 HD11 ' D' ' 126' ' ' LEU . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 52.79 106.315 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' E' ' 116' ' ' GLY . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.663 HD21 HG13 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 74.77 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.699 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.452 HD23 HD22 ' E' ' 111' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 66.01 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.401 ' HA ' ' HB1' ' E' ' 110' ' ' ALA . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 77.52 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 38.8 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.434 ' HB3' HD11 ' D' ' 98' ' ' LEU . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 48.36 111.835 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 52.73 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.71 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 82.32 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 96.95 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' D' ' 85' ' ' SER . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 82.8 110.349 -168.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.738 HG22 HD12 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 44.56 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 19.48 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 52.2 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.663 HG13 HD21 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 9.25 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 10.79 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 9.72 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 19.36 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 11.33 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.554 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 29.87 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 24.97 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 27.84 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 70' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' E' ' 424' ' ' TYR . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 71' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' E' ' 429' ' ' GLU . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 11.35 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 10.67 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 7.73 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 11.05 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.65 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 5.05 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 21.68 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.441 ' O ' HD13 ' D' ' 106' ' ' LEU . 35.9 tp60 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.29 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 43.57 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.408 ' HA ' HG22 ' D' ' 55' ' ' VAL . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 77.58 109.701 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.535 HG12 HD11 ' E' ' 97' ' ' ILE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 88.57 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 87' ' ' ALA . . . . . 0.489 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' D' ' 94' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.505 ' HA ' HD12 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' E' ' 102' ' ' LEU . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 88.9 112.479 -171.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 97' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 95.17 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.738 HD12 HG22 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 66.02 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 100' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 54.11 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 40.76 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 34.31 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 103' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 28.69 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 61.29 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 19.65 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 13.09 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 10.47 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 6.22 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 10.48 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 4.16 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.494 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 10.22 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.39 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.65 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 5.37 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 7.06 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 6.71 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 5.08 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.453 HG23 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 5.65 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 10.21 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 6.99 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 18.26 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 20.06 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 16.85 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.42 HD11 HG11 ' D' ' 40' ' ' VAL . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 14.84 110.745 -174.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 76.73 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.439 HD11 HD12 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 20.32 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 28.37 111.137 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.494 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 32.68 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 69.78 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.671 ' HB2' ' HB2' ' E' ' 70' ' ' LEU . 60.2 t30 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 134' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 -62.41 -28.04 69.51 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.03 64.33 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.102 0.41 . . . . 99.99 111.223 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.419 HD23 HD23 ' E' ' 111' ' ' LEU . 2.2 mm? -85.23 -42.06 15.03 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.536 0.734 . . . . 99.99 110.429 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 137' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' D' ' 134' ' ' ASP . 48.1 m-85 -65.73 -59.52 3.82 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.228 0.611 . . . . 99.99 112.28 -177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 20.0 ptp -45.68 -37.24 5.56 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.521 1.128 . . . . 99.99 112.614 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.57 -50.48 62.98 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.735 0.814 . . . . 99.99 110.433 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.526 ' HD1' ' HB2' ' D' ' 150' ' ' GLU . 48.4 t80 -64.85 -52.74 55.03 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.594 0.559 . . . . 99.99 110.836 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.56 -36.84 72.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.595 1.158 . . . . 99.99 113.484 -170.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.75 -0.23 20.23 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 112.86 0.689 . . . . 99.99 112.86 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -139.53 95.29 2.9 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.911 0.862 . . . . 99.99 109.524 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -136.92 166.75 22.91 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.788 0.835 . . . . 99.99 109.646 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.38 17.12 4.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.348 1.459 . . . . 99.99 111.156 -171.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -143.96 101.15 0.25 Allowed Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.258 -0.737 . . . . 99.99 111.258 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 65.17 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.415 1.486 . . . . 99.99 112.739 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.9 173.02 12.8 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 112.125 -0.39 . . . . 99.99 112.125 -174.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 149' ' ' THR . . . . . 0.45 HG22 ' HG3' ' D' ' 151' ' ' GLU . 26.1 m 71.77 -66.5 0.3 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.955 1.302 . . . . 99.99 110.16 -172.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 150' ' ' GLU . . . . . 0.526 ' HB2' ' HD1' ' D' ' 140' ' ' TYR . 34.8 mm-40 55.03 24.49 6.04 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.005 1.483 . . . . 99.99 115.005 165.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' D' ' 149' ' ' THR . 0.0 OUTLIER -59.29 -38.4 80.1 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.536 0.607 . . . . 99.99 110.106 174.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -176.79 -15.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 99.99 109.574 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 65.51 18.41 11.26 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.175 1.39 . . . . 99.99 111.255 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.7 -80.99 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.937 0.895 . . . . 99.99 109.979 -175.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.519 0.727 . . . . 99.99 109.305 -177.121 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.362 0.125 . . . . 99.99 111.087 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.476 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 1.7 tmtp? -146.52 111.23 5.24 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.603 -1.628 . . . . 99.99 106.603 169.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.476 ' HG3' ' HD3' ' E' ' 2' ' ' LYS . 98.7 mt-30 63.37 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.168 1.387 . . . . 99.99 112.723 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -170.81 83.13 0.09 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.184 1.394 . . . . 99.99 108.004 171.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 37.6 m -70.03 89.42 0.61 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.573 0.749 . . . . 99.99 109.428 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' E' ' 304' ' ' PRO . 1.4 tp 76.06 136.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 126.326 1.85 . . . . 99.99 109.231 -165.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.8 -81.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 99.99 109.374 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 57.11 99.27 0.02 OUTLIER 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.8 1.24 . . . . 99.99 109.832 -170.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 131.77 49.5 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.156 -0.475 . . . . 99.99 109.822 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.461 HD13 HD13 ' E' ' 59' ' ' LEU . 4.9 mp -84.11 53.89 2.76 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.596 -0.52 . . . . 99.99 109.596 -179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 66.55 162.78 0.13 Allowed Pre-proline 0 C--N 1.37 1.494 0 C-N-CA 125.58 1.552 . . . . 99.99 112.303 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.83 39.77 0.79 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.119 2.546 . . . . 99.99 113.071 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.455 ' HA ' ' HE2' ' E' ' 65' ' ' LYS . 28.9 tp 59.58 -81.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.992 1.717 . . . . 99.99 111.995 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -77.67 -28.63 51.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.645 1.178 . . . . 99.99 111.414 -171.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.73 -145.1 0.37 Allowed 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 106.319 -1.734 . . . . 99.99 106.319 -169.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -145.94 127.55 7.61 Favored Pre-proline 0 N--CA 1.495 1.788 0 CA-C-O 117.349 -1.31 . . . . 99.99 108.971 169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_exo -21.87 69.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.629 1 C-N-CA 127.244 5.296 . . . . 99.99 118.069 -172.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.441 HG11 HG23 ' B' ' 86' ' ' ILE . 2.4 t 53.42 23.26 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 127.156 2.183 . . . . 99.99 113.38 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -152.45 117.38 5.13 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.346 -0.846 . . . . 99.99 109.176 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 57.73 -171.22 0.1 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.909 1.283 . . . . 99.99 112.296 -169.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.91 -41.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.108 0.963 . . . . 99.99 109.588 173.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' B' ' 46' ' ' THR . 9.3 mmm180 -85.5 168.0 14.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.082 -0.963 . . . . 99.99 110.072 173.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -56.05 129.97 73.35 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 123.921 0.888 . . . . 99.99 110.417 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.32 118.64 5.63 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 121.354 1.369 . . . . 99.99 112.301 -170.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 161.61 140.36 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 127.451 2.3 . . . . 99.99 108.336 174.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 175.66 -46.21 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.716 1.206 . . . . 99.99 110.647 -170.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.35 167.74 0.51 Allowed 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 123.064 2.509 . . . . 99.99 115.738 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t 68.09 -69.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.137 0 C-N-CA 125.528 1.531 . . . . 99.99 110.116 -172.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -160.01 -48.56 0.05 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.032 0.533 . . . . 99.99 110.238 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 175.93 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.326 1.45 . . . . 99.99 107.367 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 55.95 -93.63 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.47 1.108 . . . . 99.99 110.857 -175.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -164.2 47.93 0.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 70.75 -70.36 0.16 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.594 1.557 . . . . 99.99 110.075 -172.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 113.87 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.432 -0.951 . . . . 99.99 108.432 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -130.48 131.87 45.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.196 0.598 . . . . 99.99 110.142 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -80.5 1.57 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.567 0.542 . . . . 99.99 112.902 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.46 97.42 5.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.369 0.668 . . . . 99.99 109.371 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 47.0 mm 55.63 83.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.946 1.299 . . . . 99.99 112.002 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -82.34 -26.76 32.68 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.652 -0.704 . . . . 99.99 110.622 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.56 108.93 53.82 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.352 -0.981 . . . . 99.99 108.352 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.38 -35.39 61.91 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.946 2.431 . . . . 99.99 112.903 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.33 -76.86 1.44 Allowed Glycine 0 C--N 1.348 1.243 0 N-CA-C 110.922 -0.871 . . . . 99.99 110.922 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.9 156.89 27.14 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.5 14.3 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.556 0.743 . . . . 99.99 110.544 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 66.37 -179.28 0.2 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.321 1.448 . . . . 99.99 111.446 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -125.31 176.11 6.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.5 0.72 . . . . 99.99 109.781 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 67.2 mt 62.73 -160.18 0.31 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 124.494 1.121 . . . . 99.99 110.105 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 22.7 m 63.47 80.39 0.23 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.809 0.844 . . . . 99.99 110.978 176.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.488 ' HA2' ' HE ' ' E' ' 56' ' ' ARG . . . 143.52 -26.76 2.11 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 115.505 -0.771 . . . . 99.99 112.262 -176.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 56.84 47.3 18.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.882 1.273 . . . . 99.99 110.416 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.96 -16.17 6.37 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.757 1.623 . . . . 99.99 114.886 -164.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 68.7 p -85.27 -62.86 1.43 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 122.761 0.424 . . . . 99.99 111.332 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.9 -55.94 3.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.377 0.671 . . . . 99.99 112.158 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.93 40.58 1.99 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.911 0.884 . . . . 99.99 110.865 -168.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.798 ' HB3' ' HD3' ' E' ' 373' ' ' ARG . 7.6 tt -51.95 117.83 3.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.165 1.386 . . . . 99.99 110.865 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 56' ' ' ARG . . . . . 0.488 ' HE ' ' HA2' ' E' ' 49' ' ' GLY . 36.7 mtm180 -79.79 116.36 19.91 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.972 0.795 . . . . 99.99 109.923 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.37 141.42 28.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.407 0.683 . . . . 99.99 109.98 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.8 p -69.51 85.84 0.44 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.871 0.868 . . . . 99.99 110.714 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 59' ' ' LEU . . . . . 0.461 HD13 HD13 ' E' ' 10' ' ' LEU . 9.9 tp -130.23 123.54 30.42 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.319 1.047 . . . . 99.99 108.59 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 60' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' E' ' 314' ' ' ARG . 13.8 m -64.08 -44.75 91.43 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.795 1.238 . . . . 99.99 112.289 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 61' ' ' ASP . . . . . 0.497 ' HB3' ' NH1' ' E' ' 314' ' ' ARG . 29.8 t70 77.32 -43.44 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.566 1.547 . . . . 99.99 112.972 175.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.596 ' HG2' HH11 ' E' ' 314' ' ' ARG . 13.5 mmmm -81.64 -169.06 0.21 Allowed Pre-proline 0 CA--C 1.588 2.421 0 CA-C-O 116.537 -1.697 . . . . 99.99 110.062 178.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -4.03 102.34 0.0 OUTLIER 'Trans proline' 1 C--N 1.423 4.497 1 C-N-CA 125.308 4.006 . . . . 99.99 117.247 -147.028 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 143.42 56.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.316 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' E' ' 13' ' ' LEU . 18.1 pttp -154.54 142.11 19.8 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.862 1.265 . . . . 99.99 109.897 -165.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 66' ' ' ASN . . . . . 0.657 ' HA ' ' HB2' ' B' ' 134' ' ' ASP . 18.9 p-10 -153.39 169.5 22.98 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.034 0.533 . . . . 99.99 112.313 -176.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.584 HD11 HD12 ' E' ' 69' ' ' LEU . 17.4 tt -88.73 148.22 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 109.599 -0.519 . . . . 99.99 109.599 170.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.5 mt -108.97 -101.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.584 HD12 HD11 ' E' ' 67' ' ' ILE . 94.2 mt 50.07 29.5 3.57 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.334 1.054 . . . . 99.99 112.878 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 70' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' D' ' 132' ' ' ASN . 1.5 pt? -143.3 151.62 40.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.679 0.391 . . . . 99.99 110.76 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.46 105.98 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 175.9 179.43 46.39 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 120.131 -0.261 . . . . 99.99 112.74 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.6 154.04 18.59 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.593 0.757 . . . . 99.99 109.723 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.48 103.4 2.18 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.054 -0.521 . . . . 99.99 113.321 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 83.7 mtp -118.99 98.9 6.41 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.167 0.587 . . . . 99.99 110.069 174.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.25 88.72 0.07 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -118.61 85.02 2.28 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 122.363 1.078 . . . . 99.99 110.494 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 78' ' ' SER . . . . . 0.681 ' H ' ' HB3' ' B' ' 139' ' ' ASN . 35.9 m -69.03 -8.01 40.94 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.904 1.682 . . . . 99.99 114.714 -172.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -43.31 -46.36 6.32 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 125.348 1.459 . . . . 99.99 113.263 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 tt -95.63 131.76 41.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.766 -0.827 . . . . 99.99 108.766 169.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 81' ' ' THR . . . . . 0.42 ' HA ' HG23 ' D' ' 10' ' ' THR . 88.7 m -118.69 104.01 10.21 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.862 -0.792 . . . . 99.99 108.862 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 138.11 58.2 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.718 0.636 . . . . 99.99 110.205 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.54 -178.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.773 1.229 . . . . 99.99 113.601 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -0.55 1.63 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.006 0.522 . . . . 99.99 112.0 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -75.82 81.12 2.74 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 122.053 0.93 . . . . 99.99 111.304 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -171.92 156.2 4.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.424 1.49 . . . . 99.99 108.458 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 76.38 -45.08 0.5 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.5 1.52 . . . . 99.99 112.874 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.16 76.75 0.09 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.155 1.382 . . . . 99.99 111.927 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.47 -72.02 1.5 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.587 -0.733 . . . . 99.99 111.694 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -147.15 -63.58 0.28 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.54 1.136 . . . . 99.99 108.095 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.42 -77.07 1.43 Allowed Glycine 0 C--N 1.356 1.651 0 CA-C-N 115.441 -0.8 . . . . 99.99 112.021 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 165.97 -140.32 6.29 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.152 -1.179 . . . . 99.99 110.152 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -136.47 157.17 47.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.671 0.788 . . . . 99.99 109.219 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -71.85 114.08 9.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.967 0.507 . . . . 99.99 110.459 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 122.23 20.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.198 0.599 . . . . 99.99 110.748 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . -152.86 -51.54 0.01 OUTLIER Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.011 -0.836 . . . . 99.99 111.011 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.535 HD11 HG12 ' D' ' 86' ' ' ILE . 39.1 pt -109.14 109.88 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 CA-C-O 122.283 1.04 . . . . 99.99 111.253 176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -107.46 153.19 23.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.78 1.232 . . . . 99.99 108.688 173.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.79 71.69 0.45 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.225 0.953 . . . . 99.99 110.024 -171.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 54.3 tp -115.48 87.92 18.16 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.205 1.002 . . . . 99.99 108.306 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.84 2.56 6.49 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.074 2.516 . . . . 99.99 111.532 171.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' D' ' 95' ' ' ALA . 1.5 tt 71.13 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.873 1.669 . . . . 99.99 109.245 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -177.21 -37.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 126.606 1.962 . . . . 99.99 106.785 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.62 162.52 36.02 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 113.893 -1.503 . . . . 99.99 109.484 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -76.89 -68.23 0.63 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -95.09 119.58 33.85 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.528 -0.916 . . . . 99.99 108.528 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 23.8 m -71.66 86.63 0.92 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.082 0.553 . . . . 99.99 109.919 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -75.63 86.38 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.389 0.614 . . . . 99.99 109.925 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 51.8 t80 175.29 -38.47 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.121 1.769 . . . . 99.99 108.024 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 110' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' D' ' 45' ' ' ASP . . . 67.96 -141.82 0.11 Allowed 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.843 1.34 . . . . 99.99 109.19 -172.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.452 HD22 HD23 ' D' ' 44' ' ' LEU . 6.2 mp -103.39 -69.23 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 170.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -109.94 16.53 21.88 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.111 -0.95 . . . . 99.99 109.803 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 67.97 145.11 0.04 OUTLIER 'General case' 0 C--N 1.372 1.55 0 C-N-CA 124.735 1.214 . . . . 99.99 111.834 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -74.02 83.8 1.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 108.039 -1.097 . . . . 99.99 108.039 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 96.3 m -153.51 144.31 22.7 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.804 1.242 . . . . 99.99 107.987 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 116' ' ' GLY . . . . . 0.48 ' O ' ' HD3' ' D' ' 41' ' ' LYS . . . -80.32 40.6 2.39 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.392 0.432 . . . . 99.99 113.491 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.26 73.83 36.59 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.69 150.75 12.94 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 123.016 2.477 . . . . 99.99 111.124 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.21 -67.55 0.84 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.733 0.413 . . . . 99.99 111.722 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -88.96 -30.24 18.94 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.732 0.813 . . . . 99.99 111.646 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.45 HG21 HD21 ' D' ' 44' ' ' LEU . 10.7 p -105.22 30.69 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.521 0 C-N-CA 125.165 1.386 . . . . 99.99 109.658 -172.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -78.94 -7.91 58.42 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.286 -0.87 . . . . 99.99 111.856 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -133.56 154.48 50.83 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.846 0.858 . . . . 99.99 110.065 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 124' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' D' ' 128' ' ' LEU . 38.9 t -138.3 -47.3 0.52 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.34 1.056 . . . . 99.99 109.973 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.39 -163.41 0.27 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.172 0.989 . . . . 99.99 111.537 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 64.29 75.32 0.38 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.414 1.086 . . . . 96.83 111.852 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 9.8 p -159.7 113.94 2.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.189 -0.914 . . . . 99.99 110.801 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.8 122.18 4.25 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 74.48 111.471 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.3 t 177.13 169.45 0.56 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.825 1.65 . . . . 99.99 109.211 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.37 162.07 41.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.515 0.726 . . . . 99.99 110.448 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -132.41 127.53 35.58 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.799 0.84 . . . . 99.99 110.31 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 45.2 t -168.58 90.28 0.25 Allowed 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.126 -1.064 . . . . 99.99 108.126 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 19.6 m -148.52 144.41 27.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.16 0.584 . . . . 99.99 110.509 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.59 163.26 26.52 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.193 -0.763 . . . . 89.58 111.193 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 32.2 m -129.43 163.85 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.02 0.928 . . . . 99.99 108.885 174.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 136' ' ' LYS . . . . . 0.498 ' HB2' ' SD ' ' E' ' 464' ' ' MET . 4.4 mptp? -106.66 -167.42 1.28 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.113 0.565 . . . . 99.99 109.808 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.436 HG22 ' HD1' ' E' ' 138' ' ' TYR . 22.1 m 76.75 125.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.944 1.698 . . . . 99.99 110.032 -177.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 138' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' E' ' 137' ' ' THR . 29.4 p90 23.58 74.4 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 126.128 1.771 . . . . 99.99 114.707 -170.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 15.1 m120 64.68 -83.51 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.461 1.504 . . . . 99.99 111.349 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -121.32 6.33 10.8 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 119.571 -0.572 . . . . 99.99 113.171 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 130' ' ' PRO . . . 56.64 -87.34 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.23 1.412 . . . . 99.99 113.172 173.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.454 HD21 HD11 ' C' ' 105' ' ' ILE . 7.6 tp -166.74 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.19 0.996 . . . . 99.99 108.405 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.22 -110.39 3.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 114.888 -1.051 . . . . 99.99 112.608 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.74 157.8 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.574 0.75 . . . . 99.99 110.823 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -148.35 106.39 3.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.245 1.018 . . . . 99.99 108.509 168.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 9.3 tt -179.41 89.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.202 -1.777 . . . . 99.99 106.202 171.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -141.18 136.85 32.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.079 -0.509 . . . . 99.99 111.296 -169.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -135.84 99.56 4.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.443 -1.317 . . . . 99.99 107.443 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 99.49 4.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.051 0.929 . . . . 99.99 109.096 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.23 156.72 41.42 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.023 -0.99 . . . . 99.99 109.346 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 30.4 m80 55.09 38.96 0.51 Allowed Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.583 1.153 . . . . 99.99 112.566 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.42 -35.85 96.79 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.571 2.181 . . . . 99.99 113.407 -161.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 41.0 p -57.84 -47.9 81.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.469 1.107 . . . . 99.99 112.579 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.402 HG13 HD22 ' E' ' 155' ' ' LEU . 25.9 pt -77.79 -19.51 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 111.596 0.221 . . . . 99.99 111.596 -174.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 155' ' ' LEU . . . . . 0.402 HD22 HG13 ' E' ' 154' ' ' ILE . 3.9 mm? -78.23 -36.22 47.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.977 0.511 . . . . 99.99 110.74 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -80.86 76.03 7.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.536 0.735 . . . . 99.99 111.056 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.505 ' HB3' ' HB3' ' E' ' 160' ' ' ALA . 67.8 mtm 63.85 -75.75 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.962 1.305 . . . . 99.99 111.092 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 65.1 -74.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.744 1.618 . . . . 99.99 111.762 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -62.38 -45.51 92.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.124 0.969 . . . . 99.99 110.04 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 160' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' E' ' 157' ' ' MET . . . -64.14 -52.69 57.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.791 0.837 . . . . 99.99 111.488 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 62.97 -76.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.948 1.299 . . . . 99.99 112.26 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -152.2 143.52 10.48 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 110.608 -0.997 . . . . 99.99 110.608 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 pp -154.2 -169.49 3.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.303 0.641 . . . . 99.99 110.654 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 81.62 -3.26 1.61 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.944 1.698 . . . . 99.99 113.148 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 67.0 p 48.56 33.71 4.33 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.355 1.462 . . . . 99.99 113.312 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 108.16 130.34 6.22 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.611 -175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -81.98 -55.0 4.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.262 0.625 . . . . 99.99 109.447 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.53 -37.97 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.941 0.896 . . . . 99.99 110.133 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m 64.4 12.86 7.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.64 1.176 . . . . 99.99 111.816 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 77.1 p 47.37 30.8 1.64 Allowed 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.69 1.596 . . . . 99.99 113.079 -173.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.03 95.78 8.67 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.809 0.844 . . . . 99.99 109.601 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.18 -61.94 1.63 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.136 0.975 . . . . 99.99 109.849 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.88 86.88 0.99 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.837 0.855 . . . . 99.99 109.306 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -100.78 178.18 4.77 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.203 1.001 . . . . 99.99 109.7 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.83 -74.37 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.407 0.442 . . . . 99.99 109.941 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 54.37 22.28 3.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.487 1.115 . . . . 99.99 113.309 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 84.2 m -95.71 108.69 41.72 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.914 0.886 . . . . 99.99 109.553 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.46 -4.37 15.2 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.676 2.251 . . . . 99.99 112.745 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 72.23 -66.42 0.31 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.735 1.614 . . . . 99.99 110.673 -174.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 58.24 29.04 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.388 1.075 . . . . 99.99 111.233 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 63.9 tp -92.02 127.84 37.64 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.329 -0.851 . . . . 99.99 109.77 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 17.2 m -64.85 119.73 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 O-C-N 123.715 0.634 . . . . 99.99 110.279 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -165.08 -45.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.778 0.831 . . . . 99.99 109.274 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.3 t60 68.22 -71.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.34 1.456 . . . . 99.99 111.084 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 67.7 t 67.53 -72.17 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 125.498 1.519 . . . . 99.99 113.666 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . 0.257 13.6 t 47.46 85.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.171 1.388 . . . . 99.99 110.678 -167.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 23.3 t -57.27 -66.06 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 114.412 -1.267 . . . . 99.99 112.478 -165.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 100.19 10.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.047 -0.723 . . . . 99.99 109.047 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -88.15 -54.22 4.32 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.205 1.002 . . . . 99.99 109.099 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 74.7 m -153.34 27.95 0.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.462 1.105 . . . . 99.99 109.393 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -81.93 78.11 8.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.769 0.795 . . . . 99.99 109.554 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 174.67 80.39 0.05 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-N 113.962 -1.472 . . . . 99.99 110.14 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.29 137.65 71.52 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.693 2.929 . . . . 99.99 113.247 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 46.6 p -139.53 178.17 7.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.897 0.879 . . . . 99.99 110.396 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.23 79.58 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.898 0.879 . . . . 99.99 112.06 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 25.0 p -103.79 93.72 5.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.662 0.785 . . . . 99.99 109.674 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 52.4 p -146.7 -66.03 0.28 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.6 0.76 . . . . 99.99 109.904 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.515 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 5.2 pt-20 -155.91 -93.57 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.838 0.855 . . . . 99.99 110.242 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.515 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 36.0 ttpt -176.32 -58.53 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.302 1.041 . . . . 99.99 108.725 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 78.1 m 66.1 118.81 0.02 OUTLIER Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 125.47 1.508 . . . . 99.99 110.87 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.38 -29.0 54.39 Favored 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.451 2.101 . . . . 99.99 112.662 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 71.93 17.6 77.08 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 123.574 0.546 . . . . 99.99 113.333 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.77 78.67 1.85 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.828 0.823 . . . . 99.99 109.899 -172.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -159.47 171.68 19.27 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 114.571 -1.195 . . . . 99.99 109.346 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 55.7 tp 72.87 -65.21 0.37 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.319 1.448 . . . . 99.99 111.273 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 67.17 -75.42 0.06 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.916 1.286 . . . . 99.99 110.256 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 207' ' ' LYS . . . . . 0.515 ' HE3' ' HA ' ' E' ' 215' ' ' GLU . 0.0 OUTLIER -122.34 -48.49 2.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 86.6 -57.69 4.69 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.166 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -80.33 -5.72 89.61 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-O 119.425 -0.653 . . . . 99.99 113.119 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 210' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' E' ' 210' ' ' LYS . 33.1 ttpt 73.0 -76.27 0.07 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 124.674 1.189 . . . . 99.99 111.885 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -85.16 76.48 2.21 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 114.584 0.594 . . . . 99.99 114.584 -170.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 22.6 t 59.32 24.16 12.66 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.503 1.121 . . . . 99.99 112.917 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 8.6 tp -126.69 149.35 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.129 0.571 . . . . 99.99 109.5 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.0 t 54.6 48.08 21.19 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.422 1.889 . . . . 99.99 111.501 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 215' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' E' ' 207' ' ' LYS . 1.3 mp0 -75.14 -11.21 60.03 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 113.462 -1.699 . . . . 99.99 112.673 -174.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.88 -53.52 15.46 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.024 0.828 . . . . 99.99 111.561 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 217' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' E' ' 219' ' ' ASN . 2.3 tt 69.67 -64.73 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 99.99 111.606 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 218' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' E' ' 218' ' ' LEU . 1.0 OUTLIER 80.12 85.5 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.395 1.878 . . . . 99.99 107.417 -170.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 219' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' E' ' 217' ' ' LEU . 58.1 t30 -141.18 164.72 29.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 113.594 -1.639 . . . . 99.99 107.889 -173.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 65.2 102.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.171 0.988 . . . . 99.99 110.562 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.64 0.99 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.95 0.5 . . . . 99.99 110.546 -173.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.87 -76.38 0.07 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.148 1.379 . . . . 99.99 110.234 -171.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 67.55 -61.11 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.661 1.585 . . . . 99.99 114.462 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.5 120.63 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 123.85 0.86 . . . . 99.99 111.84 -174.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 30.3 m -131.23 121.33 24.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 99.99 105.924 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.75 -38.32 87.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.886 0.474 . . . . 99.99 110.215 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 77.54 -72.6 2.16 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.175 -0.921 . . . . 99.99 112.639 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 85.89 -60.35 4.64 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 110.61 -0.996 . . . . 99.99 110.61 -174.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 166.85 165.65 24.6 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.558 -1.017 . . . . 99.99 110.558 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -77.64 73.82 4.21 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.624 ' HG3' HG21 ' E' ' 409' ' ' THR . 0.2 OUTLIER -89.72 -61.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.405 1.082 . . . . 99.99 108.285 -173.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.0 t 50.73 172.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.802 2.041 . . . . 99.99 113.672 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 233' ' ' PHE . . . . . 0.547 ' HB2' ' HG2' ' B' ' 3' ' ' GLU . 54.7 t80 -84.99 -57.56 3.05 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.492 -0.755 . . . . 99.99 109.207 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.94 0.09 Allowed 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.555 1.159 . . . . 99.99 112.178 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -78.94 100.97 7.49 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.775 -1.194 . . . . 99.99 107.775 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 236' ' ' THR . . . . . 0.407 HG22 HG23 ' E' ' 238' ' ' THR . 28.0 m -64.14 -40.46 96.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.501 0.72 . . . . 99.99 110.182 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 57.04 60.35 3.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.909 1.284 . . . . 99.99 111.938 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.407 HG23 HG22 ' E' ' 236' ' ' THR . 24.1 p -83.16 58.67 4.56 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.605 -0.725 . . . . 99.99 110.524 177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -162.79 -80.68 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.187 0.995 . . . . 99.99 108.472 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 64.41 -151.95 50.04 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.388 0.43 . . . . 99.99 113.357 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -93.45 77.42 4.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -35.81 6.24 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.633 -0.712 . . . . 99.99 112.125 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -166.0 128.82 2.02 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.181 0.592 . . . . 99.99 110.397 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -85.47 134.09 12.31 Favored Glycine 0 C--N 1.346 1.131 0 CA-C-O 119.519 -0.601 . . . . 99.99 111.641 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.07 115.38 2.39 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.013 0.925 . . . . 99.99 111.317 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 74.4 m 80.02 -50.5 0.36 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.765 1.626 . . . . 99.99 112.496 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 247' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.0 mm? -62.4 -18.87 62.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.488 0.715 . . . . 99.99 112.266 -177.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.69 ' HG3' ' HG3' ' E' ' 249' ' ' GLU . 28.1 ptt180 -61.79 -36.72 81.91 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.452 1.101 . . . . 99.99 113.016 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.69 ' HG3' ' HG3' ' E' ' 248' ' ' ARG . 47.9 mt-10 -84.0 -19.75 33.98 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.732 1.012 . . . . 99.99 113.732 -168.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 250' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 21.0 pt20 -72.69 -17.17 61.66 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.0 0.364 . . . . 99.99 110.973 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.569 1.148 . . . . 99.99 112.588 176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.55 -34.14 10.89 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.721 1.208 . . . . 99.99 113.134 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.29 67.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.406 0.683 . . . . 99.99 112.204 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -127.33 -160.14 0.98 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.08 0.952 . . . . 99.99 109.991 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 91.37 -94.67 1.97 Allowed Glycine 0 C--N 1.349 1.272 0 CA-C-O 119.748 -0.473 . . . . 99.99 112.649 174.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -82.51 144.04 30.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.465 0.706 . . . . 99.99 110.682 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 62.85 -77.43 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.883 1.273 . . . . 99.99 110.378 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 32.9 tp 60.1 -80.3 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.226 1.411 . . . . 99.99 111.85 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.435 HG12 ' H ' ' E' ' 262' ' ' ALA . 61.8 t -111.54 -64.27 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.0 m 72.55 -53.34 0.7 Allowed 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.76 1.624 . . . . 99.99 113.126 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.47 -48.4 74.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.596 1.159 . . . . 99.99 112.469 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 262' ' ' ALA . . . . . 0.435 ' H ' HG12 ' E' ' 259' ' ' VAL . . . -80.23 -15.93 55.9 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.006 -0.543 . . . . 99.99 111.772 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -70.39 -47.95 58.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.96 0.504 . . . . 99.99 110.774 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 11.7 p -165.17 -169.78 1.73 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.532 0.733 . . . . 99.99 110.681 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 54.9 tp 73.35 -77.67 0.05 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.227 1.411 . . . . 99.99 110.398 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.76 -90.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.54 1.136 . . . . 99.99 111.15 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.6 m -145.51 23.51 1.44 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.811 0.845 . . . . 99.99 111.093 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.48 -27.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 23.7 m 67.54 -85.43 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.568 1.547 . . . . 99.99 112.179 175.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -171.1 169.65 6.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 -170.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.63 -58.89 2.48 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.146 0.795 . . . . 99.99 113.146 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.85 -32.99 52.4 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.38 0.511 . . . . 99.99 112.38 -167.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -86.02 27.61 0.88 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.139 0.576 . . . . 99.99 111.476 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -132.37 34.99 3.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.355 1.462 . . . . 99.99 109.858 -170.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -36.55 134.79 0.6 Allowed Pre-proline 0 N--CA 1.504 2.239 0 C-N-CA 125.662 1.585 . . . . 99.99 114.879 -156.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -48.69 -56.99 2.63 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 124.65 3.567 . . . . 99.99 116.126 -163.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 91.5 mt 73.73 92.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 125.065 1.478 . . . . 99.99 109.152 -161.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.21 102.66 1.61 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.928 -1.138 . . . . 99.99 107.928 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -64.48 -59.05 8.77 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.925 0.765 . . . . 99.99 112.534 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 4.3 pp -160.62 178.25 9.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 110.916 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -131.97 -65.92 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.351 -0.981 . . . . 99.99 108.351 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -80.09 79.56 6.63 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.762 -0.654 . . . . 99.99 109.535 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.69 -39.75 91.6 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.516 1.127 . . . . 99.99 111.461 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 171.2 -122.46 0.97 Allowed Glycine 0 C--N 1.337 0.604 0 N-CA-C 110.653 -0.979 . . . . 99.99 110.653 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -67.58 89.58 0.24 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.183 0.593 . . . . 99.99 110.403 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.473 ' HB2' ' HD3' ' E' ' 287' ' ' PRO . 3.1 mmt -135.73 -53.52 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 124.817 1.247 . . . . 99.99 110.753 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 287' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' C' ' 44' ' ' LEU . 25.8 Cg_exo -66.9 89.11 0.29 Allowed 'Trans proline' 0 C--N 1.389 2.681 0 C-N-CA 121.418 1.412 . . . . 99.99 112.131 173.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.32 107.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.738 0.815 . . . . 99.99 109.681 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -89.07 69.28 8.39 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.721 0.772 . . . . 99.99 109.115 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.5 ' HZ2' ' HB2' ' E' ' 294' ' ' LYS . 2.0 t-105 76.57 160.39 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.24 1.816 . . . . 99.99 112.266 174.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.415 HD13 ' N ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 153.15 173.55 22.56 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -57.87 135.2 67.52 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 123.746 2.964 . . . . 99.99 112.788 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.5 ' HB2' ' HZ2' ' E' ' 290' ' ' TRP . 19.8 tptm -104.41 119.71 39.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.527 0.731 . . . . 99.99 111.111 -173.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -83.8 111.21 18.99 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.882 -0.785 . . . . 99.99 108.882 170.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.435 HG21 HD13 ' C' ' 126' ' ' LEU . 5.9 m -156.81 -55.03 0.08 Allowed 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.675 0.79 . . . . 99.99 110.506 -174.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.9 87.8 4.73 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.221 -0.9 . . . . 99.99 108.832 -171.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -66.67 165.3 15.14 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.098 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -81.26 54.85 4.79 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.39 -0.823 . . . . 99.99 113.208 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 47.9 t30 177.94 101.28 0.02 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 125.034 1.334 . . . . 99.99 107.911 -173.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.402 HG22 HH22 ' D' ' 15' ' ' ARG . 65.8 mt -68.42 142.66 16.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 169.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.85 127.34 20.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.19 0.996 . . . . 99.99 111.633 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 303' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' C' ' 32' ' ' PHE . 19.5 pttm -162.52 74.3 2.14 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 124.076 0.95 . . . . 99.99 110.191 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 304' ' ' PRO . . . . . 0.506 ' HB2' HD13 ' E' ' 6' ' ' ILE . 67.5 Cg_endo -87.28 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.164 1.909 . . . . 99.99 111.771 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 305' ' ' ALA . . . . . 0.416 ' O ' HG21 ' E' ' 6' ' ' ILE . . . -57.32 130.84 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.96 0.904 . . . . 99.99 111.565 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 70.7 t -77.54 109.26 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 99.99 109.923 -174.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.8 t -136.09 140.72 43.96 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.982 0.913 . . . . 99.99 109.837 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 61.6 m -147.02 114.26 6.25 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.294 1.038 . . . . 99.99 108.325 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 309' ' ' THR . . . . . 0.427 ' HB ' ' HE3' ' E' ' 380' ' ' LYS . 72.2 p -88.12 108.58 22.36 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.334 0.654 . . . . 99.99 110.783 -177.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.61 121.63 5.63 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.792 2.328 . . . . 99.99 113.93 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -171.8 -59.73 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.365 0 C-N-CA 125.762 1.625 . . . . 99.99 109.415 166.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.21 177.63 8.37 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 121.457 1.438 . . . . 99.99 112.987 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -79.95 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.843 1.257 . . . . 99.99 108.558 -171.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.596 HH11 ' HG2' ' E' ' 62' ' ' LYS . 23.9 tpp180 58.81 -80.12 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.317 1.447 . . . . 99.99 110.925 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -165.87 -66.33 0.03 OUTLIER 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 20.3 t70 48.98 78.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.331 1.453 . . . . 99.99 111.299 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 49.4 m -142.48 148.82 38.33 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.927 0.491 . . . . 99.99 110.326 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 42.9 t -92.1 125.19 57.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.31 -177.83 2.59 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.497 2.132 . . . . 99.99 112.699 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 9.8 t -66.21 140.74 58.19 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.929 0.491 . . . . 99.99 111.272 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.636 HD12 ' HE2' ' E' ' 327' ' ' LYS . 2.7 mm? -86.75 175.41 8.25 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.636 0.774 . . . . 99.99 110.309 -177.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 61.2 31.26 19.54 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.902 1.281 . . . . 99.99 112.563 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.8 -39.1 83.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.711 0.804 . . . . 99.99 111.482 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 24.6 ttt -87.55 -91.02 0.11 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.094 -1.076 . . . . 99.99 108.094 171.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.23 -68.6 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.098 1.359 . . . . 99.99 107.912 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.66 95.69 2.88 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.681 0.793 . . . . 99.99 109.898 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.636 ' HE2' HD12 ' E' ' 321' ' ' LEU . 50.4 tptt -108.85 -31.78 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.554 -0.748 . . . . 99.99 109.197 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.11 -23.49 67.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.985 0.914 . . . . 99.99 113.347 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.5 tt -67.76 -46.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.412 0.685 . . . . 99.99 111.473 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -87.26 -19.18 28.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.483 0.713 . . . . 99.99 110.797 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 40.0 tp -80.07 -43.08 22.44 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.925 0.89 . . . . 99.99 110.261 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 34.41 83.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.534 1.934 . . . . 99.99 113.929 -174.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 93.1 p 54.28 31.54 14.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.188 1.395 . . . . 99.99 112.687 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.09 -78.09 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 125.216 1.406 . . . . 99.99 111.076 -170.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -166.78 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 53.91 25.13 5.07 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.433 1.093 . . . . 99.99 112.829 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -77.7 -41.18 38.87 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.04 151.05 45.51 Favored Glycine 0 C--N 1.347 1.187 0 CA-C-N 115.389 -0.823 . . . . 99.99 112.777 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.87 8.36 10.52 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 124.393 1.077 . . . . 99.99 111.8 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 60.46 48.63 7.48 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.839 1.256 . . . . 99.99 109.118 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 341' ' ' LEU . . . . . 0.446 HD12 ' HG2' ' E' ' 342' ' ' GLN . 0.3 OUTLIER 70.09 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 113.318 -1.765 . . . . 99.99 109.197 -174.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 342' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' E' ' 341' ' ' LEU . 12.6 pt20 -165.71 -170.16 1.73 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.405 0.682 . . . . 99.99 110.278 -176.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.18 135.87 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 122.833 0.453 . . . . 99.99 109.884 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.66 153.45 28.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.781 0.832 . . . . 99.99 111.826 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . 148.0 -149.87 22.01 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-O 119.42 -0.656 . . . . 99.99 111.64 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 67.54 75.42 0.29 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.02 1.328 . . . . 99.99 110.742 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 19.6 m -83.68 126.13 32.56 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.151 -0.932 . . . . 99.99 110.761 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 10.2 tt -98.55 148.87 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.46 0.704 . . . . 99.99 110.056 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.81 141.63 32.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -115.42 -31.11 6.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.09 0.556 . . . . 99.99 110.957 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -57.21 -45.06 84.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.927 0.891 . . . . 99.99 113.008 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.23 -32.94 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.06 0.393 . . . . 99.99 112.06 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -98.6 -10.62 23.1 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.6 0.76 . . . . 99.99 112.119 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -119.87 12.7 12.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.372 0.669 . . . . 99.99 112.377 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.42 -68.56 0.7 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.102 0.561 . . . . 99.99 109.92 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 356' ' ' ASN . . . . . 0.4 ' H ' ' HD2' ' E' ' 357' ' ' PRO . 60.1 t30 -172.05 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.076 0.951 . . . . 99.99 110.424 -174.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.4 ' HD2' ' H ' ' E' ' 356' ' ' ASN . 83.6 Cg_endo -77.85 170.35 19.12 Favored 'Trans proline' 0 C--N 1.395 2.98 0 C-N-CA 121.507 1.471 . . . . 99.99 111.951 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.1 m 62.33 34.61 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.328 1.051 . . . . 99.99 111.31 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -77.61 -18.79 77.05 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.458 -0.792 . . . . 99.99 112.622 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 64.41 14.95 9.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.131 1.372 . . . . 99.99 112.474 175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 49.4 mm 58.71 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.86 1.264 . . . . 99.99 110.132 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 133.63 147.51 5.7 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 116.081 -0.508 . . . . 99.99 113.327 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.46 100.59 11.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.527 0.731 . . . . 99.99 109.128 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 97.8 m -77.86 119.2 21.01 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.362 0.665 . . . . 99.99 110.326 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.65 149.22 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 122.908 0.483 . . . . 99.99 110.053 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.17 141.27 28.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.012 0.525 . . . . 99.99 110.485 -172.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.92 -39.57 90.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.901 0.88 . . . . 99.99 110.438 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.411 ' O ' HG22 ' E' ' 371' ' ' VAL . 37.1 t70 -66.8 -20.96 66.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.795 0.838 . . . . 99.99 111.563 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.91 -41.14 68.26 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.806 0.336 . . . . 99.99 110.825 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.82 -15.65 63.74 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.033 0.933 . . . . 99.99 113.402 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 371' ' ' VAL . . . . . 0.411 HG22 ' O ' ' E' ' 368' ' ' ASP . 6.9 m -65.41 -20.95 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 99.99 112.368 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -57.46 -23.12 47.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.967 0.907 . . . . 99.99 113.241 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.798 ' HD3' ' HB3' ' E' ' 55' ' ' LEU . 70.1 mtm180 -60.08 -23.98 64.23 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.517 0.727 . . . . 99.99 112.958 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.72 73.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.026 0.53 . . . . 99.99 110.756 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.22 -30.83 62.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.514 -0.766 . . . . 99.99 110.863 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 376' ' ' GLU . . . . . 0.557 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 11.9 tp10 -72.64 -30.99 64.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.355 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.9 -43.49 86.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.945 0.898 . . . . 99.99 109.982 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.73 -24.63 62.66 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.878 -1.056 . . . . 99.99 111.7 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -87.54 -0.3 56.65 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.275 0.842 . . . . 99.99 113.275 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 380' ' ' LYS . . . . . 0.557 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 68.3 mmtt -79.48 90.28 5.07 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 49.75 77.87 0.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.618 1.567 . . . . 99.99 113.997 164.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 60.95 -92.88 0.06 OUTLIER Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.718 -0.673 . . . . 99.99 113.519 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -170.09 149.65 3.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.322 1.049 . . . . 99.99 109.43 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.6 m -59.04 -36.4 74.96 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.489 1.116 . . . . 99.99 112.504 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 tt -72.12 89.0 1.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.538 0.735 . . . . 99.99 109.351 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.02 134.95 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 171.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 48.6 mm -76.75 103.57 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.164 0.586 . . . . 99.99 110.64 -171.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.8 141.25 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 108.061 -1.088 . . . . 99.99 108.061 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.9 t -65.36 128.34 35.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.331 0.652 . . . . 99.99 111.118 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.81 114.96 9.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.17 -0.678 . . . . 99.99 109.17 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.4 157.11 45.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.788 0.835 . . . . 99.99 109.758 -171.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.0 m80 73.37 -178.01 0.19 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.285 1.434 . . . . 99.99 111.385 -171.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -141.03 -166.7 2.22 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.158 1.383 . . . . 99.99 107.968 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.77 -25.27 62.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.566 0.746 . . . . 99.99 111.31 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 68.06 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.53 1.532 . . . . 99.99 113.696 163.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 41.3 t -62.14 -37.21 84.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.91 0.884 . . . . 99.99 111.554 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.559 ' HG3' ' H ' ' E' ' 399' ' ' VAL . 6.8 tp-100 -120.33 132.71 55.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.0 -1.111 . . . . 99.99 108.0 174.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.7 tt -84.02 11.66 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.028 0.931 . . . . 99.99 110.513 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.559 ' H ' ' HG3' ' E' ' 397' ' ' GLN . 21.7 m 50.13 28.37 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 126.759 2.023 . . . . 99.99 113.31 177.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -126.89 70.07 73.37 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 116.299 -0.41 . . . . 99.99 111.107 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.704 ' HG2' ' HA ' ' E' ' 404' ' ' LYS . 29.1 Cg_endo -67.15 148.0 80.16 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.48 1.453 . . . . 99.99 109.588 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -52.59 -48.47 66.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.538 1.135 . . . . 99.99 113.389 -166.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 m -120.43 10.71 11.25 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 123.498 0.719 . . . . 99.99 110.247 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' E' ' 401' ' ' PRO . 55.4 mmtt 62.98 179.61 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.45 1.1 . . . . 99.99 111.968 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.23 96.46 11.44 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 107.344 -1.354 . . . . 99.99 107.344 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.81 -23.62 72.85 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 123.637 2.891 . . . . 99.99 115.132 -169.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 83.82 155.94 22.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 123.252 0.345 . . . . 99.99 112.43 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt 60.07 87.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.542 1.137 . . . . 99.99 110.694 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 409' ' ' THR . . . . . 0.624 HG21 ' HG3' ' E' ' 231' ' ' LYS . 15.0 t -82.86 3.27 30.36 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.29 0.636 . . . . 99.99 111.263 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 51.26 18.86 0.66 Allowed 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 127.156 2.183 . . . . 99.99 113.71 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 53.53 21.99 2.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.881 1.272 . . . . 99.99 112.314 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 54.89 68.88 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.044 1.338 . . . . 99.99 110.963 -172.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 16.5 m120 69.09 4.81 4.74 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.47 1.285 . . . . 99.99 114.47 170.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 58.6 p -94.96 -24.76 16.81 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.584 0.629 . . . . 99.99 110.398 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.28 -80.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.508 1.523 . . . . 99.99 110.544 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.3 5.85 9.67 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.238 1.015 . . . . 99.99 109.956 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 89.19 -67.74 2.83 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.487 -1.045 . . . . 99.99 110.487 -165.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 66.66 -70.14 0.11 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.526 1.531 . . . . 99.99 111.712 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.55 74.23 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.352 0 CA-C-O 122.203 1.001 . . . . 99.99 111.24 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.5 mtt -136.76 -20.77 1.3 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.147 0.979 . . . . 99.99 111.006 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.91 -38.38 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.688 0.395 . . . . 99.99 110.76 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 66.4 mtt 67.59 -7.28 0.58 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.882 1.673 . . . . 99.99 114.186 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 48.0 t 52.51 83.4 0.06 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.532 1.133 . . . . 99.99 110.013 -174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 424' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' D' ' 70' ' ' GLU . 9.7 t80 -58.13 -62.89 1.49 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.531 0.732 . . . . 99.99 110.927 -166.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 57.47 23.98 50.74 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.789 1.075 . . . . 99.99 115.789 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -80.47 -54.02 6.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.625 0.77 . . . . 99.99 109.145 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.5 t -154.11 98.68 2.17 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.02 107.57 0.89 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.422 1.106 . . . . 99.99 111.084 -176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 429' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' D' ' 71' ' ' GLU . 26.1 mt-10 -79.18 7.55 7.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.576 1.55 . . . . 99.99 112.014 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -46.87 -31.32 3.01 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.607 1.563 . . . . 99.99 112.762 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 35.5 t -60.86 -25.88 66.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.801 0.84 . . . . 99.99 112.976 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -63.69 -43.7 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.609 0.764 . . . . 99.99 111.753 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.05 -27.03 67.78 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.205 0.316 . . . . 99.99 110.983 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -83.82 68.41 9.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.111 0.958 . . . . 99.99 110.3 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 435' ' ' THR . . . . . 0.416 HG22 ' H ' ' E' ' 437' ' ' SER . 83.5 m -152.82 -62.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 106.702 -1.592 . . . . 99.99 106.702 175.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.19 7.17 30.29 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 115.169 -0.923 . . . . 99.99 114.33 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 437' ' ' SER . . . . . 0.416 ' H ' HG22 ' E' ' 435' ' ' THR . 43.9 m 55.26 -148.28 0.49 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.639 1.176 . . . . 99.99 110.69 -171.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.94 117.69 17.98 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.173 -0.677 . . . . 99.99 109.173 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.28 94.51 6.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.874 -0.787 . . . . 99.99 108.874 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' C' ' 48' ' ' SER . 66.0 mtt85 -78.35 -31.05 48.41 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.296 0.638 . . . . 99.99 111.158 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 441' ' ' ILE . . . . . 0.762 ' HA ' ' HA ' ' C' ' 45' ' ' ASP . 2.0 mp 57.37 -85.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.104 1.361 . . . . 99.99 109.38 -166.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 59.24 32.21 21.81 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.029 0.932 . . . . 99.99 112.36 174.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 443' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' E' ' 287' ' ' PRO . . . -72.56 75.08 1.07 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.72 0.772 . . . . 99.99 111.047 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.29 130.72 21.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.235 1.414 . . . . 99.99 107.632 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 179.39 155.07 14.12 Favored Glycine 0 C--O 1.24 0.512 0 O-C-N 124.188 0.93 . . . . 99.99 110.967 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.92 166.36 29.78 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.294 1.996 . . . . 99.99 110.487 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -79.38 19.58 0.59 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.091 0.404 . . . . 99.99 112.091 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 75.47 147.27 0.09 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.16 1.784 . . . . 99.99 112.523 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 449' ' ' ALA . . . . . 0.417 ' H ' HD11 ' C' ' 136' ' ' LEU . . . -163.35 123.12 2.17 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.996 0.919 . . . . 99.99 109.512 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.62 147.41 34.32 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.924 0.89 . . . . 99.99 109.047 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 451' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 t -94.62 -60.57 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.323 0.649 . . . . 99.99 110.065 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.73 13.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 124.781 1.232 . . . . 99.99 109.336 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.69 84.35 0.37 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-N 116.149 -0.478 . . . . 99.99 113.109 -172.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 97' ' ' CYS . 1.8 pp -105.36 5.06 31.49 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.07 0.948 . . . . 99.99 111.286 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 14.6 t -68.19 169.96 9.43 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.451 0.701 . . . . 99.99 110.164 176.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.1 t70 71.76 -80.25 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.22 1.008 . . . . 99.99 110.712 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -84.41 94.62 8.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.125 0.488 . . . . 99.99 110.19 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 10.1 t -154.56 139.55 17.31 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.137 -0.938 . . . . 99.99 108.837 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -175.09 125.07 0.25 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.687 0.795 . . . . 99.99 109.55 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.659 ' HB2' ' HB2' ' A' ' 132' ' ' ASN . 33.6 mt -139.32 -75.86 0.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.145 -1.058 . . . . 99.99 108.145 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 15.46 95.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 128.52 2.728 . . . . 99.99 115.321 172.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 462' ' ' TYR . . . . . 0.6 ' HB3' HG22 ' A' ' 131' ' ' VAL . 39.8 p90 -66.36 124.5 22.89 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.906 -0.405 . . . . 99.99 109.906 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 463' ' ' THR . . . . . 0.416 HG22 ' HA ' ' E' ' 137' ' ' THR . 10.8 t -97.04 17.29 17.34 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 121.324 0.583 . . . . 99.99 110.464 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' E' ' 136' ' ' LYS . 22.3 ptt? -111.12 96.14 5.96 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.13 0.972 . . . . 99.99 110.491 -177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -91.12 34.34 0.93 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.482 0.713 . . . . 99.99 110.47 177.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -143.52 -176.75 5.08 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 125.265 1.426 . . . . 99.99 108.398 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -73.65 165.67 24.67 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.463 0.649 . . . . 99.99 110.587 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.512 HD22 ' HB ' ' A' ' 40' ' ' VAL . 1.5 pt? -70.36 -174.03 0.79 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.033 0.933 . . . . 99.99 111.801 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -64.97 0.51 4.32 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 115.998 1.159 . . . . 99.99 115.998 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.88 -36.13 59.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.418 0.687 . . . . 99.99 111.677 171.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 19.0 tptm . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 118.89 -0.576 . . . . 99.99 109.841 -166.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.046 -0.353 . . . . 99.99 110.046 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -70.67 128.52 36.37 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.738 0.815 . . . . 99.99 110.557 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 69.17 -79.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.468 1.105 . . . . 99.99 111.486 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.9 143.95 45.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.06 0.544 . . . . 99.99 111.84 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.42 -74.95 0.17 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.288 1.035 . . . . 99.99 108.955 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -161.21 -80.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.43 0.692 . . . . 99.99 110.18 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 m -80.28 79.55 6.84 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.95 0.5 . . . . 99.99 110.544 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 52.6 -81.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.825 1.65 . . . . 99.99 112.704 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.52 134.93 23.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.337 1.055 . . . . 99.99 112.533 -174.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -156.66 138.36 14.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.615 0.766 . . . . 99.99 109.791 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 1.2 t80 -97.14 131.19 44.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.515 -0.92 . . . . 99.99 108.515 170.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 -135.16 93.7 3.03 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 -177.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.626 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' HD12 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 87.02 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 27.8 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 12.57 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HZ1' ' HG3' ' B' ' 29' ' ' PRO . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 37.56 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 5.43 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 6.92 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 5.61 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 12.68 108.753 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 32.78 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 57.34 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' E' ' 468' ' ' LEU . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 48.36 111.268 -171.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 42' ' ' LEU . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 97.85 108.491 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' HG ' HG11 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 43.33 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 41.53 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 88.8 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 73.87 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' E' ' 444' ' ' TYR . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' E' ' 447' ' ' HIS . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' E' ' 447' ' ' HIS . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.623 ' HB3' HG23 ' E' ' 452' ' ' VAL . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' E' ' 447' ' ' HIS . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' E' ' 454' ' ' LEU . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.04 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 54.22 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.638 HG21 HH22 ' E' ' 440' ' ' ARG . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 29.36 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 19.86 107.091 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 13.6 109.685 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 17.22 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 14.92 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 21.43 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 23.61 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 57.75 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 93.1 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 30.12 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 22.88 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 30.01 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 14.44 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 9.47 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 106' ' ' LEU . 57.5 tp60 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 20.02 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 66.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t -123.41 112.12 17.16 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 89' ' ' ILE . 5.5 tp -142.01 141.35 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 113.462 0.912 . . . . 99.99 113.462 -177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.07 178.03 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 127.86 2.464 . . . . 99.99 109.129 168.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.67 -27.22 21.49 Favored Glycine 0 N--CA 1.48 1.586 0 N-CA-C 111.008 -0.837 . . . . 99.99 111.008 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -112.27 148.1 15.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 125.874 1.67 . . . . 99.99 107.189 170.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 6.8 tp10 -138.81 -175.6 4.2 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 122.865 0.466 . . . . 99.99 109.965 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.7 -147.06 34.81 Favored Glycine 0 C--N 1.349 1.28 0 C-N-CA 123.267 0.46 . . . . 99.99 112.747 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -64.65 -20.23 66.17 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.45 0.7 . . . . 99.99 112.173 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.33 -53.0 41.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.691 0.396 . . . . 99.99 110.593 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.447 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -68.89 -39.7 79.62 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 -177.56 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.34 -58.15 9.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.846 0.858 . . . . 99.99 111.81 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -70.15 -20.7 63.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.693 -0.67 . . . . 99.99 111.271 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 42.5 t -58.47 -47.9 82.53 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.629 0.65 . . . . 99.99 109.365 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.642 ' HB2' ' HB ' ' E' ' 458' ' ' THR . 31.6 mt -70.8 -27.48 63.92 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.527 -0.76 . . . . 99.99 112.251 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 95.56 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 94.48 113.531 -174.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 73.2 112.234 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.582 ' HD3' HG11 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 48.9 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 94.19 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 55.88 110.793 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 21.71 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 15.39 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 9.95 113.11 172.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 20.66 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 7.34 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 15.45 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 4.41 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 7.34 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.433 HG21 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 7.28 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 4.96 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 48.88 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 26.6 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 17.97 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 8.38 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 20.1 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 13.71 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.477 ' HG3' ' HB1' ' E' ' 130' ' ' ALA . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 20.05 113.801 178.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 56.76 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.575 ' HA ' HD11 ' E' ' 468' ' ' LEU . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 62.97 112.048 177.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.477 ' N ' HD21 ' E' ' 468' ' ' LEU . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 56.46 111.427 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 77.42 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t -100.73 114.66 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 135' ' ' ALA . 4.4 m-20 -85.62 88.24 7.5 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.152 0.581 . . . . 99.99 110.315 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -74.1 -51.3 16.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.898 -1.046 . . . . 99.99 109.312 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.78 -37.59 59.07 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.379 -1.282 . . . . 99.99 111.174 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 132' ' ' ASN . . . -68.64 -20.1 64.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.542 -0.266 . . . . 99.99 111.696 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.14 -36.8 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.149 -0.686 . . . . 99.99 109.149 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -61.28 -49.89 75.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.08 0.552 . . . . 99.99 110.452 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.4 mmt -68.7 -30.66 69.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.476 0.71 . . . . 99.99 111.588 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 36.7 t30 -60.66 -47.76 84.79 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.049 0.94 . . . . 99.99 110.316 173.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -71.27 -31.56 67.64 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.266 -0.879 . . . . 99.99 111.056 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.24 -50.64 59.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.704 0.402 . . . . 99.99 111.242 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -174.09 18.73 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.753 0.821 . . . . 99.99 110.152 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 78.1 mt-30 63.83 9.46 4.49 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.781 1.232 . . . . 99.99 112.973 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 71.6 -46.5 0.64 Allowed 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 125.945 1.698 . . . . 99.99 112.135 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 76.47 -81.49 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.636 1.575 . . . . 99.99 112.094 166.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -103.48 27.8 18.31 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 120.051 -0.305 . . . . 99.99 113.357 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 64.78 -87.61 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.199 1.4 . . . . 99.99 110.571 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.14 -58.4 0.13 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.542 -1.023 . . . . 99.99 110.542 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.754 HG23 HG21 ' C' ' 92' ' ' THR . 12.5 m 55.04 -128.58 2.19 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 124.81 1.244 . . . . 99.99 111.648 170.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.33 -78.08 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.771 1.228 . . . . 99.99 110.642 -167.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 60.64 68.74 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.579 1.151 . . . . 99.99 113.092 164.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -91.49 83.99 5.48 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.906 -0.775 . . . . 99.99 108.906 169.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -98.84 38.17 1.41 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.683 0.793 . . . . 99.99 109.977 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.78 108.24 0.55 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.686 1.195 . . . . 99.99 110.867 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 124.035 0.934 . . . . 99.99 108.73 178.873 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.698 -0.482 . . . . 99.99 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 60.95 23.12 13.25 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 113.532 0.938 . . . . 99.99 113.532 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 71.67 -66.37 0.3 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.408 1.483 . . . . 99.99 112.918 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -66.76 -41.83 87.11 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.847 0.459 . . . . 99.99 110.681 -174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -85.5 76.25 10.07 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.869 0.842 . . . . 99.99 109.488 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.29 161.4 36.34 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.02 0.928 . . . . 99.99 109.594 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 62.1 p 53.5 34.32 18.1 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.097 1.359 . . . . 99.99 110.36 -174.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.62 159.55 34.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.496 -1.229 . . . . 99.99 111.171 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.6 OUTLIER 66.49 164.64 0.19 Allowed 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.419 1.488 . . . . 99.99 110.679 -176.05 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 32.6 p -140.09 119.45 12.98 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.548 -1.278 . . . . 99.99 107.548 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -126.72 120.03 28.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.539 0.609 . . . . 93.55 109.563 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 40.88 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 85.25 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 95.33 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 13.6 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 23.1 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 6.51 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 19.94 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 5.14 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 19.25 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 9.84 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 18.09 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 49.39 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.551 ' HG3' ' HZ1' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.58 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 98.87 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.42 HG21 HG23 ' E' ' 6' ' ' ILE . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 72.1 112.069 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' E' ' 6' ' ' ILE . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 96.73 108.196 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 HD22 ' E' ' 8' ' ' LEU . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 67.27 111.123 -165.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.438 HG21 ' CG ' ' E' ' 15' ' ' PHE . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 66.97 109.734 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 35.64 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 74.75 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 43.74 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 89.61 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 85.91 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 76.71 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.555 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 98.07 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 57.34 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.406 ' O ' HG23 ' B' ' 46' ' ' THR . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 21.57 108.702 -172.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.676 HD21 HD11 ' E' ' 8' ' ' LEU . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 62.33 109.427 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 95.32 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 14.84 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 28.15 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 18.14 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 24.35 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 26.44 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.584 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 56.64 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 62.67 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 81.37 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 33.32 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.584 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 25.99 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 18.76 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 16.93 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 12.76 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.716 HG21 ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 8.91 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 33.15 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 11.78 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 39.34 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 63.88 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 82.93 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' B' ' 10' ' ' THR . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 98.2 110.948 -172.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.555 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.496 ' HE3' HG12 ' E' ' 18' ' ' VAL . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 71.23 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 59.87 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 134' ' ' ASP . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 71.19 112.392 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.533 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 50.37 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 36.29 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 87.59 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 37.19 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 13.07 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' PHE . . . . . 0.427 ' HZ ' ' HE1' ' B' ' 133' ' ' PHE . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 10.37 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' TYR . . . . . 0.523 ' HE2' HG21 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 12.29 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 8.75 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 59.14 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.716 ' HB3' HG21 ' B' ' 78' ' ' VAL . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 13.3 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.518 ' O ' HG23 ' B' ' 118' ' ' VAL . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 9.86 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 13.13 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.02 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.553 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 26.78 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 13.3 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 29.79 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 23.15 112.539 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 23.84 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 29.89 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 125' ' ' GLN . 0.0 OUTLIER -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 72.13 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 73.04 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' E' ' 6' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 90.81 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 43.15 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.536 ' HG2' HG21 ' E' ' 306' ' ' VAL . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 61.27 111.403 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.425 HG11 ' H ' ' E' ' 8' ' ' LEU . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.57 110.934 -173.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASN . . . . . 0.408 ' HB2' ' HA3' ' E' ' 76' ' ' GLY . 10.0 m120 -109.08 68.9 0.69 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' B' ' 136' ' ' LEU . 32.7 p90 -88.03 -6.34 58.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.369 -1.287 . . . . 99.99 111.927 -171.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 100' ' ' ALA . 8.8 p-10 -61.61 -41.53 97.58 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.471 0.653 . . . . 99.99 110.265 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.45 29.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.712 1.205 . . . . 99.99 111.61 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' B' ' 133' ' ' PHE . 4.0 tt -51.27 -44.16 61.75 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.156 0.982 . . . . 99.99 110.123 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.5 -46.92 80.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.55 0.74 . . . . 99.99 111.071 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.95 75.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.029 0.932 . . . . 99.99 110.435 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -84.91 -7.59 59.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.584 1.154 . . . . 99.99 111.272 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.73 -25.17 21.3 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -92.39 34.28 1.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.33 1.052 . . . . 99.99 110.12 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.77 36.4 0.55 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.124 0.97 . . . . 99.99 111.742 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -58.32 110.27 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.996 0.918 . . . . 99.99 110.009 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 58.79 51.2 7.78 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.567 1.167 . . . . 99.99 110.451 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' B' ' 152' ' ' HIS . . . 61.97 93.45 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.59 1.556 . . . . 99.99 112.549 177.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.83 -78.43 1.68 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-N 115.633 -0.712 . . . . 99.99 113.141 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.37 -37.22 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.839 0.856 . . . . 99.99 110.037 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.12 -60.85 3.01 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.891 -0.595 . . . . 99.99 113.832 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 15.2 t -60.13 -24.52 64.75 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.325 1.05 . . . . 99.99 113.793 -167.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' GLU . . . . . 0.578 ' HG3' ' HG3' ' B' ' 151' ' ' GLU . 11.3 tp10 -148.15 149.35 31.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.182 -0.673 . . . . 99.99 109.182 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.578 ' HG3' ' HG3' ' B' ' 150' ' ' GLU . 36.2 mt-10 72.8 -66.48 0.31 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.583 1.553 . . . . 99.99 111.575 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' B' ' 145' ' ' ALA . 26.1 t60 65.1 -86.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.329 1.452 . . . . 99.99 109.937 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -145.19 -85.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.85 25.37 3.85 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.997 1.319 . . . . 99.99 113.538 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 123.638 0.775 . . . . 99.99 109.434 -176.519 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.87 -0.419 . . . . 99.99 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.494 ' H ' ' HB2' ' C' ' 8' ' ' GLU . 71.0 m 67.13 -172.47 0.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.705 1.202 . . . . 99.99 110.663 -167.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 56.7 74.88 0.38 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.067 0.947 . . . . 99.99 111.447 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 72.76 -20.81 0.26 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.311 1.444 . . . . 99.99 113.329 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -76.04 80.04 2.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.456 0.702 . . . . 99.99 110.294 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 4.5 t30 57.37 16.89 3.42 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.961 1.304 . . . . 99.99 111.461 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.6 m 70.19 -22.7 0.17 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 126.146 1.778 . . . . 99.99 113.686 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.494 ' HB2' ' H ' ' C' ' 2' ' ' SER . 3.5 tt0 59.48 97.65 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.454 1.502 . . . . 99.99 111.202 -171.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' C' ' 90' ' ' GLU . 45.7 ttp 63.51 121.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.643 1.177 . . . . 99.99 112.689 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.55 ' H ' ' HA3' ' C' ' 88' ' ' GLY . 27.6 m -83.61 83.45 7.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 170.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -124.46 125.24 43.92 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.538 HD12 ' OG1' ' E' ' 137' ' ' THR . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 56.3 107.742 170.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 93.16 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 11.74 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 6.91 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 21.95 109.316 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 5.12 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.544 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 9.28 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 8.82 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 12.04 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 30.41 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.508 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 48.75 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 55.24 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 88.6 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 68.93 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.401 HG13 ' NE1' ' E' ' 290' ' ' TRP . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 87.15 108.462 171.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 42' ' ' LEU . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 94.05 108.548 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.617 HD11 HD23 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 71.87 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 62.96 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 35.73 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 56.22 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 43.42 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 94.06 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 81.86 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.545 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 29.6 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 20.9 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.617 HD23 HD11 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 69.19 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 14.53 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.42 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.526 HG23 HD13 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 17.7 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 29.53 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 32.22 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 59.66 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 97.29 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 76.35 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 37.0 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 34.06 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 39.96 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 16.54 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.412 ' N ' HD13 ' C' ' 75' ' ' LEU . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 77' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 9.25 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 25.23 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 62.2 tp60 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 10.6 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 30.38 108.563 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' PHE . . . . . 0.545 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' C' ' 10' ' ' THR . 0.0 OUTLIER -138.32 107.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.16 21.96 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.807 -0.633 . . . . 99.99 111.262 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.55 ' HA3' ' H ' ' C' ' 10' ' ' THR . . . -70.11 -12.09 68.1 Favored Glycine 0 C--N 1.349 1.25 0 N-CA-C 115.642 1.017 . . . . 99.99 115.642 -173.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 66.28 98.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.498 1.119 . . . . 99.99 111.262 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.431 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 21.5 mm-40 -131.79 23.12 4.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.513 1.125 . . . . 99.99 110.049 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.52 -124.05 23.83 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.515 -0.766 . . . . 99.99 112.45 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.754 HG21 HG23 ' A' ' 149' ' ' THR . 42.8 p -79.67 -18.28 51.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.061 0.544 . . . . 99.99 111.701 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -64.2 -51.28 64.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.941 0.496 . . . . 99.99 110.485 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.495 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 0.0 OUTLIER -63.98 -29.93 71.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 123.413 0.446 . . . . 99.99 111.838 179.049 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.02 51.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.999 0.519 . . . . 99.99 111.84 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -81.09 -33.02 33.64 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.012 0.525 . . . . 99.99 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' C' ' 94' ' ' MET . 26.4 p -74.6 -22.84 58.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.456 0.303 . . . . 99.99 110.459 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.512 HD21 HD13 ' E' ' 278' ' ' LEU . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 68.51 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 56.52 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.459 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 56.59 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 39.21 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' C' ' 105' ' ' ILE . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 8.71 110.072 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.46 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 37.06 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 16.74 113.411 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 9.85 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 5.88 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 7.64 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 20.64 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 13.9 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.526 HD13 HG23 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 8.58 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 8.54 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 6.56 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.523 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 5.22 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 114' ' ' ILE . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 28.53 109.491 173.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 17.6 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 15.17 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 24.81 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 29.42 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 59.85 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.473 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 41.85 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 38.57 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 24.62 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 24.48 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 68.05 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.64 -17.26 45.28 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.68 -35.16 63.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.348 1.459 . . . . 99.99 110.735 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.13 67.15 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.23 1.012 . . . . 99.99 112.429 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.21 -27.68 69.23 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.536 0.734 . . . . 99.99 111.308 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -68.0 -35.12 77.8 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.014 0.525 . . . . 99.99 111.039 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 138' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' C' ' 138' ' ' MET . 1.2 mpt? -77.59 -34.65 53.49 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 99.99 110.149 177.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -69.35 -37.11 77.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.597 0.759 . . . . 99.99 110.673 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -46.56 -80.96 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.298 1.839 . . . . 99.99 110.94 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 34.9 tp -122.63 95.97 4.84 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 167.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.48 95.66 2.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.894 -0.78 . . . . 99.99 108.894 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -63.27 -71.64 0.16 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 40.3 32.17 0.12 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 126.119 1.768 . . . . 99.99 115.305 170.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -79.01 -48.98 13.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.717 0.407 . . . . 99.99 110.871 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.19 -55.93 5.02 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 111.305 -0.718 . . . . 99.99 111.305 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.72 130.59 47.09 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.325 1.05 . . . . 99.99 108.647 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.56 34.81 0.54 Allowed Glycine 0 N--CA 1.469 0.877 0 O-C-N 123.195 0.31 . . . . 99.99 112.876 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 25.0 m -132.18 -25.17 2.02 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.821 0.848 . . . . 99.99 110.032 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 68.06 85.54 0.14 Allowed 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.62 1.568 . . . . 99.99 108.292 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.715 ' HA ' ' HB3' ' C' ' 155' ' ' ALA . 0.0 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.322 -1.308 . . . . 99.99 114.529 -169.139 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 53.36 -88.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.151 0.98 . . . . 99.99 111.169 -170.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.66 51.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.27 -50.05 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.358 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' C' ' 151' ' ' GLU . . . . . . . . 0 C--O 1.253 1.249 0 CA-C-O 119.1 -0.476 . . . . 99.99 110.757 -177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.996 -0.05 . . . . 99.99 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -173.7 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.081 0.952 . . . . 99.99 109.236 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 137.2 52.31 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 99.99 110.421 -173.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 61.47 -91.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.391 1.476 . . . . 99.99 111.424 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -168.4 -142.02 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.076 0.95 . . . . 99.99 108.457 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.74 132.0 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.927 1.691 . . . . 99.99 112.352 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 36.2 m -122.52 -18.39 6.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.263 1.025 . . . . 99.99 110.431 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.84 152.59 42.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.451 0.7 . . . . 99.99 111.06 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -31.41 123.23 0.25 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.291 1.836 . . . . 99.99 113.697 -172.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -137.53 140.45 41.1 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' PHE . . . . . 0.466 ' H ' HG23 ' E' ' 307' ' ' THR . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 76.43 105.758 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.47 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 79.46 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 53.22 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 19.87 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 8.43 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 36.9 110.299 176.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.607 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.523 HG21 ' HE2' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 4.02 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 7.64 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 5.08 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 7.19 107.319 172.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 13.41 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 12.01 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 20.55 113.186 -171.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 22.26 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' D' ' 73' ' ' ALA . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 34.6 111.341 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.63 ' HB3' ' HE1' ' E' ' 131' ' ' TRP . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 31.63 109.787 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 49.29 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 31.29 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.62 HG23 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 52.79 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 74.77 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.423 ' N ' HD13 ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 66.01 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 77.52 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 38.8 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 48.36 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 52.73 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' E' ' 102' ' ' LEU . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.71 108.76 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 82.32 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 52' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 96.95 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' D' ' 85' ' ' SER . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 82.8 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 56' ' ' TYR . . . . . 0.42 ' CE2' HD13 ' D' ' 86' ' ' ILE . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 44.56 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 19.48 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 52.2 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 9.25 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 10.79 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 9.72 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 19.36 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 11.33 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 29.87 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 24.97 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 27.84 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 11.35 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 10.67 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 7.73 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 11.05 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.469 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 5.05 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 21.68 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.29 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 43.57 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.452 ' HA ' HG22 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 77.58 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 88.57 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.703 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' E' ' 47' ' ' LEU . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 88.9 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 95.17 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.407 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 66.02 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 54.11 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 40.76 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 34.31 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 28.69 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 61.29 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.47 HG21 HD13 ' D' ' 13' ' ' ILE . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 19.65 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 13.09 112.731 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 107' ' ' PHE . . . . . 0.401 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 10.47 114.005 -173.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 6.22 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 10.48 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 4.16 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 10.22 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.39 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.538 HD13 HG21 ' D' ' 64' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 5.37 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 115' ' ' THR . . . . . 0.523 HG21 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 7.06 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 6.71 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.469 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 5.08 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 5.65 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 10.21 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 6.99 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 18.26 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 20.06 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 125' ' ' GLN . . . . . 0.413 ' HG3' HG23 ' D' ' 115' ' ' THR . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 16.85 112.426 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 14.84 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 76.73 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 20.32 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' E' ' 123' ' ' ASP . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 28.37 110.315 -173.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 32.68 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 69.78 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 133' ' ' PHE . . . . . 0.434 ' HD1' HD21 ' E' ' 111' ' ' LEU . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.79 -30.0 69.78 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.64 38.9 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.447 0.699 . . . . 99.99 111.863 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 136' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' E' ' 120' ' ' TYR . 4.0 mp -85.8 -31.42 22.34 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.781 -1.1 . . . . 99.99 111.451 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -88.2 -32.25 18.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.234 0.828 . . . . 99.99 113.234 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 23.0 ptp -56.62 -34.03 66.84 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.423 0.897 . . . . 99.99 113.423 -166.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 139' ' ' ASN . . . . . 0.464 ' HA ' HE21 ' D' ' 142' ' ' GLN . 25.0 p-10 -77.58 -32.65 53.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.591 0.356 . . . . 99.99 111.71 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -62.92 -56.05 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.106 0.562 . . . . 99.99 111.632 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.2 tp -64.72 -38.75 92.04 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -166.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 142' ' ' GLN . . . . . 0.464 HE21 ' HA ' ' D' ' 139' ' ' ASN . 27.2 pt20 -75.33 4.69 6.72 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.266 0.469 . . . . 99.99 112.266 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.73 43.9 1.37 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.642 0.777 . . . . 99.99 109.406 171.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -147.44 127.62 13.81 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.372 -0.376 . . . . 99.99 110.88 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.59 90.81 1.19 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.545 1.138 . . . . 99.99 108.037 175.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.14 -21.71 29.4 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.625 -0.716 . . . . 99.99 112.319 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.52 100.61 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.997 0.919 . . . . 99.99 110.656 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.48 4.99 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.73 -0.668 . . . . 99.99 112.507 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 43.7 p -90.95 25.79 2.31 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.574 1.15 . . . . 99.99 110.789 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 57.51 -135.01 1.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.177 1.391 . . . . 99.99 108.745 -166.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.442 ' HB3' ' HB2' ' D' ' 154' ' ' ASP . 33.7 mt-10 64.11 -80.32 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.703 1.201 . . . . 99.99 111.504 176.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 5.1 t60 66.41 -73.7 0.07 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.157 1.783 . . . . 99.99 112.034 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -92.64 15.41 14.44 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.693 0.797 . . . . 99.99 110.544 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 154' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' D' ' 151' ' ' GLU . 20.9 t70 -55.88 -47.29 77.65 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.494 0.717 . . . . 99.99 110.908 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.011 0 O-C-N 124.798 1.311 . . . . 99.99 110.165 -177.681 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.524 ' HG2' ' HB2' ' B' ' 42' ' ' LEU . 16.7 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 2' ' ' LYS . . . . . 0.436 ' HE2' ' HG2' ' E' ' 84' ' ' ARG . 75.2 mmtt -75.25 141.22 43.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.028 0.531 . . . . 99.99 109.95 172.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.581 ' HA ' HG23 ' E' ' 80' ' ' ILE . 74.3 mt-30 68.75 -0.91 2.17 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.396 1.478 . . . . 99.99 114.315 176.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -177.03 140.43 0.3 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.709 1.204 . . . . 99.99 108.356 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -68.1 -69.61 0.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.552 0.615 . . . . 99.99 109.906 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.704 ' HA ' HD21 ' B' ' 42' ' ' LEU . 13.0 pt -134.51 84.63 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.762 0.825 . . . . 99.99 109.805 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' B' ' 42' ' ' LEU . . . 179.15 -177.77 0.31 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.586 1.154 . . . . 99.99 110.271 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.676 HD11 HD21 ' B' ' 60' ' ' LEU . 9.0 mt -62.69 96.45 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.891 0.477 . . . . 99.99 111.869 -170.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.46 95.36 1.77 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.869 0.868 . . . . 99.99 110.788 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 tp 73.86 -66.08 0.32 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.579 1.551 . . . . 99.99 112.067 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt 74.99 133.17 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 125.555 1.542 . . . . 99.99 109.601 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.28 83.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.493 2.129 . . . . 99.99 112.424 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.09 -94.46 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.178 1.391 . . . . 99.99 110.98 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.0 148.38 1.74 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.824 0.85 . . . . 99.99 109.304 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' B' ' 46' ' ' THR . 36.3 p90 -71.65 137.56 47.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.707 0.403 . . . . 99.99 110.084 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.429 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 23.3 p -130.24 40.78 0.64 Allowed Pre-proline 0 CA--C 1.566 1.585 0 N-CA-C 113.342 0.868 . . . . 99.99 113.342 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' E' ' 16' ' ' THR . 21.1 Cg_endo -93.73 -0.97 3.24 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.014 1.81 . . . . 99.99 113.638 -172.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 HG23 ' E' ' 19' ' ' THR . 1.2 p -79.89 -31.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.965 0.506 . . . . 99.99 110.449 -170.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 19' ' ' THR . . . . . 0.552 HG23 HG13 ' E' ' 18' ' ' VAL . 75.2 p -136.15 -173.34 3.36 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.835 1.254 . . . . 99.99 109.343 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.14 -20.45 61.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.836 0.454 . . . . 99.99 111.675 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 73.25 7.42 5.26 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 115.139 1.533 . . . . 99.99 115.139 163.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 125.25 28.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.208 0.603 . . . . 99.99 110.128 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 13.0 p -130.77 148.78 71.5 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.697 1.199 . . . . 99.99 109.335 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.12 127.22 21.52 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.412 2.075 . . . . 99.99 110.704 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 68.44 17.01 9.18 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.75 1.22 . . . . 99.99 112.138 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.262 66.6 mtt 25.26 -79.03 0.0 OUTLIER Pre-proline 0 CA--C 1.591 2.531 0 C-N-CA 128.028 2.531 . . . . 99.99 116.754 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.35 -40.98 81.1 Favored 'Trans proline' 1 C--N 1.422 4.404 0 CA-C-N 123.383 2.244 . . . . 99.99 113.298 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t 63.74 94.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 124.993 1.317 . . . . 99.99 109.778 -174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.83 162.34 28.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.409 0.684 . . . . 99.99 110.413 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 59.48 34.71 22.65 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.921 0.888 . . . . 99.99 109.77 -170.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.5 -27.84 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.45 -1.25 . . . . 99.99 111.154 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 81.18 -32.65 0.11 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.175 1.79 . . . . 99.99 111.644 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' E' ' 64' ' ' ALA . . . 67.9 -161.64 0.21 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.723 1.209 . . . . 99.99 110.581 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HE2' ' E' ' 62' ' ' LYS . . . -85.12 8.99 16.15 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 71.11 102.88 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.33 1.452 . . . . 99.99 110.554 172.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.52 52.51 0.55 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.083 -0.807 . . . . 99.99 111.083 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.79 116.91 27.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.487 1.115 . . . . 99.99 109.614 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' E' ' 324' ' ' MET . 10.8 tt -164.29 16.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 112.934 0.716 . . . . 99.99 112.934 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 33.6 p -115.93 -82.6 0.62 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.745 -1.222 . . . . 99.99 112.57 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' HD3' ' E' ' 41' ' ' PRO 0.312 . . 53.21 -100.35 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.413 0 CA-C-O 116.035 -1.936 . . . . 99.99 113.441 -169.589 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 41' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' E' ' 40' ' ' ALA . 73.4 Cg_endo -96.61 90.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.407 3.62 0 CA-C-N 125.686 3.066 . . . . 99.99 112.412 -177.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.89 116.57 3.91 Favored Glycine 0 N--CA 1.47 0.947 0 CA-C-N 115.758 -0.655 . . . . 99.99 111.696 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.86 55.36 2.6 Favored Glycine 0 C--N 1.343 0.949 0 N-CA-C 112.164 -0.375 . . . . 99.99 112.164 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.72 72.91 8.78 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.483 0.659 . . . . 99.99 109.757 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -75.18 -11.64 60.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.017 -0.992 . . . . 99.99 111.319 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 155.17 29.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.045 -1.094 . . . . 99.99 108.045 175.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' D' ' 93' ' ' GLN . 73.5 mt -85.22 77.93 9.92 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 174.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 26.8 m -93.49 -50.71 5.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.085 -0.961 . . . . 99.99 110.873 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.09 -64.47 0.3 Allowed Glycine 0 C--N 1.342 0.879 0 C-N-CA 121.443 -0.408 . . . . 99.99 112.945 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -38.01 -77.82 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.043 1.737 . . . . 99.99 114.905 -165.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -74.56 -42.11 59.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.167 0.587 . . . . 99.99 111.156 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -68.31 -16.62 64.01 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.578 0.751 . . . . 99.99 112.401 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 -36.27 27.2 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.996 0.518 . . . . 99.99 110.441 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.84 19.1 11.57 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.985 1.314 . . . . 99.99 111.726 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt 64.43 -71.72 0.07 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.702 1.601 . . . . 99.99 111.759 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 64.66 12.49 7.6 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.242 . . . . 99.99 111.235 -175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.83 165.86 11.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.465 0.706 . . . . 99.99 110.508 -171.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 58' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' E' ' 68' ' ' ILE . 2.0 m -95.26 -24.03 16.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.017 0.927 . . . . 99.99 112.179 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 126.15 28.38 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.445 0.698 . . . . 99.99 109.83 -170.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m 71.54 -71.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.498 1.519 . . . . 99.99 110.706 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -134.43 164.66 26.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.039 0.936 . . . . 99.99 110.271 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 62' ' ' LYS . . . . . 0.685 ' HE2' ' HB1' ' E' ' 34' ' ' ALA . 0.0 OUTLIER -151.73 136.04 10.0 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.24 1.016 . . . . 99.99 108.495 -177.032 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -50.25 -58.19 1.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.931 2.42 . . . . 99.99 112.442 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' E' ' 33' ' ' ALA . . . -164.25 82.72 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.316 0.646 . . . . 99.99 110.37 176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -137.78 153.12 49.72 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.392 0.677 . . . . 99.99 109.835 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -86.78 -57.51 2.95 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.585 0.754 . . . . 99.99 109.95 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.421 HG13 ' H ' ' E' ' 69' ' ' LEU . 36.1 pt -117.99 -168.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.703 0.801 . . . . 99.99 110.636 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 68' ' ' ILE . . . . . 0.476 ' HA ' ' OG ' ' E' ' 58' ' ' SER . 2.4 mp -65.25 -22.49 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.297 1.039 . . . . 99.99 111.873 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.421 ' H ' HG13 ' E' ' 67' ' ' ILE . 6.5 tt -45.05 119.12 1.89 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.215 1.406 . . . . 99.99 112.404 -174.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.59 17.05 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.951 -1.022 . . . . 99.99 108.89 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 pt -113.37 145.49 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.678 0.791 . . . . 99.99 109.963 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 -54.29 4.71 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.23 -0.205 . . . . 99.99 112.814 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.03 98.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.924 0.889 . . . . 99.99 111.658 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.28 166.63 23.26 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.6 -1.0 . . . . 99.99 110.6 172.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -96.58 87.42 4.38 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.604 0.702 . . . . 99.99 110.647 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 76' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' E' ' 308' ' ' CYS . . . -69.41 139.64 32.39 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.65 -0.704 . . . . 99.99 113.478 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -144.38 -72.22 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.304 0.642 . . . . 99.99 110.805 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 78' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' E' ' 307' ' ' THR . 15.2 m -72.17 -14.52 61.83 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 112.553 0.575 . . . . 99.99 112.553 -171.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 79' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' E' ' 307' ' ' THR . 10.0 pt-20 -63.87 -14.55 54.21 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.983 0.913 . . . . 99.99 113.109 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' E' ' 3' ' ' GLN . 90.6 mt -60.65 98.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 C-N-CA 123.658 0.783 . . . . 99.99 110.126 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -110.71 147.02 35.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.762 0.825 . . . . 99.99 109.84 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.8 -0.82 47.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.704 0.801 . . . . 99.99 111.604 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.2 93.09 2.28 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.165 0.586 . . . . 99.99 111.846 -173.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' HE2' ' E' ' 2' ' ' LYS . 0.0 OUTLIER -103.56 -30.65 10.37 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.128 0.571 . . . . 99.99 109.868 170.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -127.79 147.29 50.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.537 1.135 . . . . 99.99 108.739 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 54.09 79.57 0.13 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.207 1.003 . . . . 99.99 109.726 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.66 74.71 2.03 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.835 -176.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -79.62 77.97 6.2 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.579 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.08 -165.4 41.28 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 115.353 -0.84 . . . . 99.99 113.187 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.11 76.31 0.37 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.358 1.063 . . . . 99.99 110.891 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.59 -80.76 0.72 Allowed Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.757 -0.656 . . . . 99.99 112.305 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.92 -177.2 30.72 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.994 0.219 . . . . 99.99 112.854 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -104.7 163.42 12.5 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.167 0.987 . . . . 99.99 110.157 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.92 160.05 16.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.33 0.652 . . . . 99.99 111.625 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 123.88 32.15 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.017 -1.105 . . . . 99.99 108.017 168.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.59 -55.05 0.09 OUTLIER Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.776 -0.53 . . . . 99.99 111.776 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.436 HG23 ' SD ' ' D' ' 94' ' ' MET . 48.7 mt -74.79 93.02 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.458 0.703 . . . . 99.99 109.751 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.87 -16.54 47.19 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 115.6 -0.727 . . . . 99.99 109.717 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.03 30.54 0.94 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.431 1.092 . . . . 99.99 112.124 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 tp -110.13 94.87 19.22 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -98.02 3.84 1.36 Allowed 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.488 2.792 . . . . 99.99 111.453 162.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' D' ' 50' ' ' GLN . 4.1 tt 62.31 121.52 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.837 1.655 . . . . 99.99 110.074 -165.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 30.4 p -69.06 99.37 1.09 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.499 -0.773 . . . . 99.99 111.17 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.83 -5.78 56.73 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.148 -0.933 . . . . 99.99 113.491 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 63.53 -70.45 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.773 1.229 . . . . 99.99 110.627 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -102.83 106.92 17.6 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.076 0.95 . . . . 99.99 108.443 164.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -71.45 92.29 1.09 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.721 0.772 . . . . 99.99 110.277 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.93 45.0 2.58 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.042 1.337 . . . . 99.99 108.712 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -89.83 -59.76 2.12 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.591 -0.731 . . . . 99.99 111.843 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.43 -64.7 1.1 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.006 0.522 . . . . 99.99 111.104 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 111' ' ' LEU . . . . . 0.434 HD21 ' HD1' ' D' ' 133' ' ' PHE . 6.5 mp -85.21 78.17 9.87 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.385 -0.825 . . . . 99.99 109.013 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -169.56 -84.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.074 -0.966 . . . . 99.99 109.12 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -113.84 92.09 3.86 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 173.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 114' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' E' ' 114' ' ' LYS . 3.7 ttpm? -99.93 108.6 20.87 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.093 0.957 . . . . 99.99 108.788 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 61.6 p -113.71 -52.98 2.72 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.057 0.943 . . . . 99.99 110.315 -176.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.81 53.15 2.98 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.966 -0.561 . . . . 99.99 113.097 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 117' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' E' ' 118' ' ' PRO . 33.3 ttmt -167.11 127.56 1.18 Allowed Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.023 0.529 . . . . 99.99 109.901 -176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 118' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' E' ' 117' ' ' LYS . 3.5 Cg_exo -78.82 25.68 0.55 Allowed 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.835 3.023 . . . . 99.99 114.835 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 68.62 163.24 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.605 1.162 . . . . 99.99 112.056 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 120' ' ' TYR . . . . . 0.415 ' HB3' HD11 ' D' ' 136' ' ' LEU . 62.4 t80 -142.45 -5.65 0.94 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.441 0.697 . . . . 99.99 110.788 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 121' ' ' VAL . . . . . 0.404 HG12 ' H ' ' E' ' 122' ' ' THR . 5.7 t -89.7 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 CA-C-O 117.848 -1.072 . . . . 99.99 108.495 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 122' ' ' THR . . . . . 0.404 ' H ' HG12 ' E' ' 121' ' ' VAL . 3.3 m 55.27 27.34 9.66 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 120.264 1.393 . . . . 99.99 110.993 -172.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 123' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' D' ' 129' ' ' ALA . 2.6 p30 -62.72 -27.54 69.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.047 1.339 . . . . 99.99 112.827 -172.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 14.1 p -41.44 101.3 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.783 1.633 . . . . 99.99 114.493 -174.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.17 91.39 2.27 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.281 1.032 . . . . 99.99 108.411 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -147.69 167.81 23.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.59 0.756 . . . . 96.83 110.567 -176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.0 m -141.13 141.05 34.21 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.748 0.819 . . . . 99.99 110.448 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.16 142.71 2.31 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.023 0.929 . . . . 74.48 109.437 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.1 t -163.36 119.55 1.76 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.339 0.656 . . . . 99.99 110.158 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 130' ' ' ALA . . . . . 0.477 ' HB1' ' HG3' ' A' ' 124' ' ' PRO . . . -174.74 125.82 0.29 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.981 1.313 . . . . 99.99 109.089 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' D' ' 32' ' ' PHE . 8.9 t90 -110.72 146.8 35.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.709 0.404 . . . . 99.99 110.298 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 32.1 p -65.9 164.74 14.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.51 1.124 . . . . 99.99 113.804 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 174.45 5.86 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.702 -1.135 . . . . 99.99 109.544 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.67 164.19 32.99 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 116.41 -0.359 . . . . 89.58 112.911 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 135' ' ' VAL . . . . . 0.551 HG13 HG23 ' E' ' 137' ' ' THR . 6.3 p -160.47 143.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.44 1.096 . . . . 99.99 109.332 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.42 99.33 0.08 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.514 0.725 . . . . 99.99 110.159 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 137' ' ' THR . . . . . 0.551 HG23 HG13 ' E' ' 135' ' ' VAL . 6.4 p -126.31 158.38 35.95 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.202 1.001 . . . . 99.99 110.347 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -171.35 139.75 1.35 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.989 0.916 . . . . 99.99 109.208 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -168.47 160.86 11.42 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.935 0.772 . . . . 99.99 109.026 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.47 157.32 42.19 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 115.765 1.066 . . . . 99.99 115.765 -171.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -163.49 -154.91 0.3 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.993 1.317 . . . . 99.99 109.117 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.2 -48.31 76.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.251 0.834 . . . . 99.99 113.251 -168.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 67.3 69.73 1.3 Allowed Glycine 0 N--CA 1.469 0.866 0 O-C-N 123.558 0.537 . . . . 99.99 112.918 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' C' ' 44' ' ' LEU . 2.5 t -109.02 80.46 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.637 ' HB2' ' SD ' ' E' ' 286' ' ' MET . 2.5 m-20 -118.56 132.16 56.21 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 17.3 tt -150.48 145.58 16.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 109.097 -0.705 . . . . 99.99 109.097 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 88.67 4.23 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.794 -1.187 . . . . 99.99 107.794 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -93.72 47.84 1.25 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.459 1.123 . . . . 99.99 111.513 -166.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -140.83 156.88 46.04 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.742 -1.117 . . . . 99.99 108.228 160.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.53 160.91 24.14 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 123.686 0.616 . . . . 99.99 110.732 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -49.93 140.08 16.35 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.323 1.049 . . . . 99.99 110.578 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 152' ' ' PRO . . . . . 0.581 ' HA ' ' HG3' ' E' ' 156' ' ' GLU . 11.1 Cg_endo -53.33 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.521 2.147 . . . . 99.99 112.566 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 153' ' ' THR . . . . . 0.48 HG22 ' H ' ' E' ' 154' ' ' ILE . 1.6 m -129.43 -158.61 0.9 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.352 -1.351 . . . . 99.99 107.352 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.48 ' H ' HG22 ' E' ' 153' ' ' THR . 2.1 mp -63.65 -33.07 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.19 0.905 . . . . 99.99 111.193 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.76 65.7 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.415 0.686 . . . . 99.99 112.466 -177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 156' ' ' GLU . . . . . 0.654 ' HA ' HD13 ' E' ' 265' ' ' LEU . 28.0 mm-40 -59.78 -29.48 68.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -106.77 -20.69 13.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.153 0.581 . . . . 99.99 111.487 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -94.91 -39.12 10.38 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.202 0.815 . . . . 99.99 113.202 -169.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.13 -12.11 53.55 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.46 1.104 . . . . 99.99 113.707 -165.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.91 63.72 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.501 0.721 . . . . 99.99 111.275 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -118.8 -36.47 3.45 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.176 0.991 . . . . 99.99 109.592 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.18 -140.67 38.04 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 114.95 -1.023 . . . . 99.99 112.996 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 15.4 tp -118.91 32.36 6.17 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.51 81.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.778 . . . . 99.99 111.56 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 15.1 t -94.32 18.6 10.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.523 0.729 . . . . 99.99 110.936 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -74.98 86.09 0.78 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.358 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 8.6 t30 65.99 12.59 8.54 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 124.93 1.292 . . . . 99.99 112.044 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.82 96.82 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.209 0 C-N-CA 123.777 0.831 . . . . 99.99 111.451 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 23.3 t 61.8 6.99 1.79 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.324 1.449 . . . . 99.99 112.228 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 72.6 p 44.22 42.13 4.85 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.206 1.402 . . . . 99.99 111.004 -165.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.77 81.98 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.757 -1.11 . . . . 99.99 112.568 -170.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.84 29.8 16.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.202 1.001 . . . . 99.99 111.265 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.08 -29.7 69.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.332 1.053 . . . . 99.99 112.225 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.61 150.55 36.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.62 174.88 10.97 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.67 0.788 . . . . 99.99 109.183 171.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 75.27 8.36 3.95 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.721 1.208 . . . . 99.99 111.803 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.5 m -60.17 112.27 5.21 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.742 0.817 . . . . 99.99 108.916 173.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -59.28 -57.05 1.02 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.078 2.519 . . . . 99.99 113.114 -165.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.1 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.569 1.148 . . . . 99.99 111.265 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -84.28 84.19 7.71 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.1 160.55 15.23 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.55 0.74 . . . . 99.99 111.398 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.16 160.53 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.181 0.993 . . . . 99.99 109.403 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.05 60.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.364 0.666 . . . . 99.99 111.563 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 77.15 -47.74 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.983 1.713 . . . . 99.99 110.947 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 25.2 m -86.27 23.97 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.105 0.962 . . . . 99.99 110.54 168.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 32.5 m -51.87 102.6 0.05 OUTLIER 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.539 1.536 . . . . 99.99 112.278 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 22.7 t -145.1 179.32 7.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.625 1.17 . . . . 99.99 108.674 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -65.77 -49.62 67.67 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.444 0.698 . . . . 99.99 112.004 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 47.69 83.86 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.043 1.337 . . . . 99.99 111.957 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 190' ' ' CYS . . . . . 0.608 ' HA ' ' HG2' ' E' ' 215' ' ' GLU . 41.6 t 75.18 -60.51 0.51 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.195 1.398 . . . . 99.99 111.616 -174.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -81.41 93.13 6.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.107 0.963 . . . . 99.99 110.242 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -168.58 -60.39 0.03 OUTLIER Glycine 0 C--N 1.345 1.061 0 CA-C-O 119.205 -0.775 . . . . 99.99 113.129 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 193' ' ' PRO . . . . . 0.481 ' HG2' ' HA ' ' E' ' 212' ' ' SER . 18.4 Cg_endo -58.45 148.68 79.31 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.424 2.083 . . . . 99.99 112.049 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 194' ' ' SER . . . . . 0.582 ' HB2' ' HA2' ' E' ' 211' ' ' GLY . 15.5 t 81.54 40.69 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.442 1.897 . . . . 99.99 109.781 -164.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -69.2 151.14 46.69 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.632 -0.713 . . . . 99.99 110.852 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 95.1 m -52.55 -44.82 66.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.127 0.971 . . . . 99.99 111.304 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 32.3 t -127.56 91.07 3.23 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.849 -1.167 . . . . 99.99 107.849 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 198' ' ' GLU . . . . . 0.585 ' HG2' ' HA2' ' E' ' 208' ' ' GLY . 2.5 tt0 -89.31 57.13 3.89 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.305 1.05 . . . . 99.99 110.62 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.75 85.67 1.18 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.806 -1.553 . . . . 99.99 106.806 167.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 200' ' ' CYS . . . . . 0.434 ' H ' ' HB3' ' E' ' 203' ' ' ASN . 14.6 p -160.6 162.99 22.29 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 113.659 -1.61 . . . . 99.99 108.506 -170.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -45.25 97.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.35 2.7 . . . . 99.99 113.861 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 89.01 40.61 6.13 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.528 -0.76 . . . . 99.99 112.921 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 203' ' ' ASN . . . . . 0.434 ' HB3' ' H ' ' E' ' 200' ' ' CYS . 17.7 p-10 -73.75 -69.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.339 0.656 . . . . 99.99 112.167 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 163.04 71.11 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.14 1.776 . . . . 99.99 107.914 -173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 57.0 tp 66.47 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.114 1.366 . . . . 99.99 111.416 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.14 155.49 4.4 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.076 -1.083 . . . . 99.99 108.076 -175.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 64.99 -73.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.435 1.494 . . . . 99.99 109.451 -171.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 208' ' ' GLY . . . . . 0.585 ' HA2' ' HG2' ' E' ' 198' ' ' GLU . . . -177.91 166.35 36.49 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.127 -1.189 . . . . 99.99 110.127 175.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -97.96 9.66 63.78 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 119.678 -0.512 . . . . 99.99 113.189 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -55.71 0.65 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.281 1.433 . . . . 99.99 110.724 -177.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 211' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' E' ' 194' ' ' SER . . . 175.31 -170.24 43.24 Favored Glycine 0 C--N 1.34 0.797 0 N-CA-C 112.232 -0.347 . . . . 99.99 112.232 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 212' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' E' ' 193' ' ' PRO . 49.6 m -75.82 8.65 2.89 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.046 0.939 . . . . 99.99 112.187 178.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.54 ' HA ' ' HG2' ' E' ' 216' ' ' GLN . 56.0 mt -53.03 -35.64 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 99.99 111.217 173.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 23.3 p -56.29 -41.62 76.19 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.049 1.34 . . . . 99.99 112.517 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 215' ' ' GLU . . . . . 0.608 ' HG2' ' HA ' ' E' ' 190' ' ' CYS . 1.8 mp0 -89.59 -46.52 8.6 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.31 0.644 . . . . 99.99 111.709 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 216' ' ' GLN . . . . . 0.54 ' HG2' ' HA ' ' E' ' 213' ' ' ILE . 1.7 pt20 -70.84 -10.72 60.14 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 113.771 1.026 . . . . 99.99 113.771 -164.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 68.36 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.048 0.939 . . . . 99.99 113.288 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.92 160.35 40.26 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.151 0.98 . . . . 99.99 109.725 -174.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 56.98 -81.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.186 1.394 . . . . 99.99 111.47 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 220' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' E' ' 224' ' ' VAL . . . -66.6 -53.54 33.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.936 0.894 . . . . 99.99 110.022 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 221' ' ' ARG . . . . . 0.651 ' HG3' ' H ' ' E' ' 222' ' ' ALA . 29.8 ptt180 39.11 -81.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 126.403 1.881 . . . . 99.99 114.013 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 222' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' E' ' 221' ' ' ARG . . . -91.09 112.98 25.13 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.83 109.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.822 1.249 . . . . 99.99 109.743 -169.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 224' ' ' VAL . . . . . 0.436 ' HA ' ' HB1' ' E' ' 220' ' ' ALA . 22.0 m -72.83 157.71 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.595 0.758 . . . . 99.99 111.387 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 225' ' ' THR . . . . . 0.426 HG22 ' HB2' ' E' ' 220' ' ' ALA . 14.8 t -112.75 171.41 7.55 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.461 1.104 . . . . 99.99 109.556 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 50.4 tp 67.17 86.01 0.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 99.99 111.018 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -113.88 137.0 13.77 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.613 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 99.58 -131.98 10.76 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -90.7 -117.75 1.98 Allowed Glycine 0 C--N 1.346 1.094 0 CA-C-O 119.748 -0.473 . . . . 99.99 111.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.51 34.82 25.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.726 1.21 . . . . 99.99 112.45 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -135.53 75.92 1.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 122.111 0.957 . . . . 99.99 109.502 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 232' ' ' THR . . . . . 0.586 HG23 ' H ' ' E' ' 234' ' ' ALA . 9.0 t -70.03 -24.2 63.23 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.96 -1.018 . . . . 99.99 110.433 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 60.66 28.38 18.09 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.588 1.155 . . . . 99.99 111.151 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 234' ' ' ALA . . . . . 0.586 ' H ' HG23 ' E' ' 232' ' ' THR . . . 57.57 52.22 8.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.243 1.017 . . . . 99.99 110.358 -172.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 235' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' E' ' 238' ' ' THR . 32.4 tt0 -60.13 125.13 22.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.704 0.802 . . . . 99.99 110.494 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 46.3 p -74.14 -30.22 62.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.118 0.567 . . . . 99.99 110.681 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -74.76 -3.31 30.88 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.831 0.853 . . . . 99.99 112.759 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 238' ' ' THR . . . . . 0.5 HG23 ' HB3' ' E' ' 235' ' ' GLU . 40.0 p -58.13 -36.57 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.456 0.646 . . . . 99.99 110.594 173.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.21 131.48 55.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.04 -1.096 . . . . 99.99 108.04 168.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -60.03 -48.9 83.83 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.243 -0.743 . . . . 99.99 111.243 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -136.93 107.94 6.71 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.476 1.11 . . . . 99.99 108.007 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -58.89 118.16 5.45 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.756 0.422 . . . . 99.99 110.402 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.49 120.1 11.04 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.646 0.778 . . . . 99.99 109.162 -176.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 129.62 -70.55 0.51 Allowed Glycine 0 C--O 1.24 0.496 0 N-CA-C 109.165 -1.574 . . . . 99.99 109.165 -173.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 56.68 31.85 20.03 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.597 1.159 . . . . 99.99 111.7 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.9 t -130.25 130.96 45.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.422 -0.808 . . . . 99.99 110.278 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.23 -15.73 49.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.007 0.923 . . . . 99.99 110.217 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.6 -51.8 60.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.254 1.022 . . . . 99.99 110.353 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -80.76 -13.64 58.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.694 0.798 . . . . 99.99 111.827 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -62.54 -3.13 1.3 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.398 1.079 . . . . 99.99 112.878 163.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -41.33 -13.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 116.463 2.023 . . . . 99.99 116.463 175.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.92 -39.1 65.54 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.692 0.678 . . . . 99.99 111.976 167.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.59 0.44 57.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.635 1.174 . . . . 99.99 112.062 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.7 148.14 52.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.327 0.651 . . . . 99.99 110.754 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.59 98.9 0.09 OUTLIER Glycine 0 C--N 1.35 1.311 0 O-C-N 124.389 1.055 . . . . 99.99 113.144 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.9 162.99 30.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.622 1.169 . . . . 99.99 109.866 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 75.51 -49.59 0.63 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.833 1.653 . . . . 99.99 110.028 -165.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 84.1 mt 65.34 -169.05 0.2 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.7 1.2 . . . . 99.99 111.843 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 259' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' E' ' 263' ' ' ALA . 38.4 t 57.21 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 99.99 109.634 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 51.6 p -54.6 118.96 4.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.819 -1.082 . . . . 99.99 111.602 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 31.3 t70 77.0 -52.48 0.57 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.433 1.493 . . . . 99.99 113.044 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.71 -19.17 63.57 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.65 0.981 . . . . 99.99 113.65 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 263' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' E' ' 259' ' ' VAL . . . -84.47 -18.95 34.21 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.817 0.447 . . . . 99.99 111.837 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 31.0 m 59.96 11.08 2.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.468 1.107 . . . . 99.99 112.203 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 265' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' E' ' 156' ' ' GLU . 8.0 tt 55.95 96.83 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.491 1.517 . . . . 99.99 110.678 -170.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 72.7 -62.05 0.48 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.782 1.233 . . . . 99.99 112.591 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 12.3 m -83.09 58.96 4.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.657 1.183 . . . . 99.99 111.582 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.97 -38.64 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.526 -0.761 . . . . 99.99 109.806 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 15.2 t -85.74 134.95 33.93 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.515 -0.766 . . . . 99.99 108.934 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.75 60.8 3.45 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.833 0.853 . . . . 99.99 110.344 -165.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.149 -0.932 . . . . 99.99 112.901 -173.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -66.86 -55.52 14.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.537 0.684 . . . . 99.99 110.083 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -149.66 133.65 17.08 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.88 -1.896 . . . . 99.99 105.88 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.79 -40.7 89.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.125 0.891 . . . . 99.99 111.83 -162.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' E' ' 278' ' ' LEU . 13.0 mmmt -112.74 126.19 28.7 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.802 -0.814 . . . . 99.99 108.802 164.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -88.92 -74.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.724 2.283 . . . . 99.99 113.009 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.6 -32.66 31.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.059 0.944 . . . . 99.99 109.663 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.512 HD13 HD21 ' C' ' 98' ' ' LEU . 71.8 mt -67.27 132.34 47.55 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.996 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.3 98.19 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.877 0.736 . . . . 99.99 113.325 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.5 pp -163.32 -175.62 4.35 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.73 1.212 . . . . 99.99 108.774 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.498 ' HZ ' HG13 ' C' ' 58' ' ' VAL . 73.3 t80 -152.14 -81.05 0.1 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 171.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 282' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' E' ' 145' ' ' ASP . . . -102.79 9.96 38.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.772 0.829 . . . . 99.99 110.126 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.65 88.85 1.29 Allowed 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.372 1.069 . . . . 99.99 110.37 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 147.06 -144.55 12.73 Favored Glycine 0 C--N 1.34 0.799 0 CA-C-N 114.622 -1.172 . . . . 99.99 110.778 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -150.29 126.19 10.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.795 0.838 . . . . 99.99 109.299 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' E' ' 145' ' ' ASP . 89.1 mtp -116.24 92.84 37.38 Favored Pre-proline 0 CA--C 1.552 1.036 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.13 93.73 0.19 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.466 2.777 . . . . 99.99 113.523 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 49.1 t -128.61 122.13 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 172.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -121.7 -160.32 0.86 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.929 0.892 . . . . 99.99 109.453 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' HG13 ' C' ' 40' ' ' VAL . 0.1 OUTLIER -70.6 115.31 9.62 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.537 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.67 104.91 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.8 99.74 0.89 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.061 2.508 . . . . 99.99 113.088 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -120.13 157.05 29.83 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.713 0.805 . . . . 99.99 108.854 168.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.46 6.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.201 0.6 . . . . 99.99 109.934 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 52.0 m -61.14 -45.95 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.445 0.698 . . . . 99.99 111.001 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -76.23 80.25 3.02 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 122.259 1.028 . . . . 99.99 108.649 174.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -171.06 114.41 0.41 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 113.218 -1.81 . . . . 99.99 107.488 -177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 145.67 -174.14 25.76 Favored Glycine 0 C--N 1.342 0.867 0 O-C-N 123.235 0.334 . . . . 99.99 113.232 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.61 86.62 0.9 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.344 1.058 . . . . 99.99 110.577 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 50.8 mt -95.12 81.35 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.407 0.683 . . . . 99.99 109.639 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -155.44 164.78 38.24 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.61 1.164 . . . . 99.99 109.83 171.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -139.74 148.83 57.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.52 1.128 . . . . 99.99 109.113 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.22 129.35 25.3 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.184 2.589 . . . . 99.99 113.093 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -89.71 135.83 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.423 -0.808 . . . . 99.99 111.264 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' B' ' 130' ' ' PRO . 28.7 m -106.18 156.53 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 123.267 0.627 . . . . 99.99 110.318 174.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 307' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' E' ' 79' ' ' GLU . 42.4 m -136.35 111.91 9.31 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.807 0.843 . . . . 99.99 109.724 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.465 ' HA ' ' HA2' ' E' ' 76' ' ' GLY . 12.8 m -105.45 173.75 6.17 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.511 0.725 . . . . 99.99 109.478 173.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 75.9 p -127.42 148.17 65.32 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.0 0.92 . . . . 99.99 108.596 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.58 -45.71 20.4 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.393 2.062 . . . . 99.99 111.512 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.69 81.11 0.26 Allowed Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 124.603 1.189 . . . . 99.99 111.011 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.61 114.29 3.21 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.844 2.362 . . . . 99.99 112.129 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -75.12 92.8 2.7 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 66.45 -166.02 0.22 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.083 1.353 . . . . 99.99 111.701 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -149.64 5.87 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.717 0.807 . . . . 99.99 110.761 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.09 164.34 21.81 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.751 0.82 . . . . 99.99 110.668 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 317' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' E' ' 40' ' ' ALA . 58.4 m -82.93 152.61 25.44 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.083 -0.962 . . . . 99.99 112.028 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 31.2 m -81.74 154.62 70.82 Favored Pre-proline 0 CA--C 1.557 1.215 0 CA-C-N 115.352 -0.84 . . . . 99.99 111.333 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.06 88.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 122.959 2.439 . . . . 99.99 112.401 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.5 p -141.09 179.9 6.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.017 1.327 . . . . 99.99 109.518 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.592 HD23 ' H ' ' E' ' 321' ' ' LEU . 1.6 pt? -108.07 -53.74 2.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.325 0.65 . . . . 99.99 110.583 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -81.98 74.9 8.94 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.575 0.702 . . . . 99.99 109.447 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -94.83 156.92 16.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.057 -0.974 . . . . 99.99 112.32 -174.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.723 ' HA ' ' HA ' ' E' ' 38' ' ' ILE . 64.8 mtt 63.55 83.64 0.16 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.057 1.343 . . . . 99.99 111.493 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 43.9 p -68.58 115.77 8.35 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.702 -1.135 . . . . 99.99 110.205 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 326' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' E' ' 330' ' ' GLU . 32.3 t70 59.46 -109.11 0.42 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.255 1.022 . . . . 99.99 109.402 -170.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 327' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' E' ' 329' ' ' ILE . 29.5 tptt 59.73 -173.61 0.11 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.857 0.863 . . . . 99.99 110.495 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 328' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' E' ' 334' ' ' LYS . . . -71.41 -38.93 71.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.424 0.631 . . . . 99.99 110.723 172.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 329' ' ' ILE . . . . . 0.614 HG21 ' SD ' ' E' ' 324' ' ' MET . 14.6 tt -63.47 -25.13 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -169.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' E' ' 326' ' ' ASP . 0.6 OUTLIER -46.83 -54.46 9.83 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.161 0.984 . . . . 99.99 111.471 -171.124 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.55 -68.74 0.72 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 171.65 89.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 13.8 t 61.48 12.32 4.33 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.146 0.978 . . . . 99.99 111.854 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 334' ' ' LYS . . . . . 0.573 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 2.2 tmtp? 57.23 -89.49 0.02 OUTLIER 'General case' 0 C--N 1.36 1.061 0 C-N-CA 125.905 1.682 . . . . 99.99 109.068 -171.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 15.4 m120 42.93 -76.04 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.394 1.877 . . . . 99.99 115.284 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 76.18 153.96 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.186 1.795 . . . . 99.99 109.022 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -54.76 146.93 15.88 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.587 0.755 . . . . 99.99 111.694 -175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 338' ' ' GLY . . . . . 0.48 ' HA3' HD21 ' E' ' 341' ' ' LEU . . . -54.32 105.93 0.42 Allowed Glycine 0 C--N 1.35 1.321 0 O-C-N 124.552 1.158 . . . . 99.99 113.809 -171.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -66.84 94.47 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.599 0.76 . . . . 99.99 110.324 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 61.75 76.43 0.37 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.678 1.191 . . . . 99.99 110.279 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 341' ' ' LEU . . . . . 0.48 HD21 ' HA3' ' E' ' 338' ' ' GLY . 92.0 mt -62.67 -37.79 87.79 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.878 0.871 . . . . 99.99 111.56 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -156.57 130.15 8.22 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.399 0.679 . . . . 99.99 109.173 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.54 142.97 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.57 159.94 23.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.344 0.658 . . . . 99.99 111.025 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -75.61 -119.15 0.12 Allowed Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.337 -0.705 . . . . 99.99 111.337 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.72 15.99 6.3 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.327 1.051 . . . . 99.99 112.702 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 32.5 m -84.5 -21.93 30.41 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 99.99 110.752 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 16.2 tt -82.44 136.68 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.741 0.816 . . . . 99.99 110.741 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -109.44 152.74 24.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.264 -1.013 . . . . 99.99 108.264 172.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.47 -29.13 67.6 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.446 0.698 . . . . 99.99 111.873 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 63.62 21.31 12.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.83 1.252 . . . . 99.99 111.409 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.93 113.07 23.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.395 -0.821 . . . . 99.99 109.52 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 353' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' E' ' 357' ' ' PRO . 65.2 m80 -95.01 -2.15 50.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 99.99 110.512 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 75.21 148.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.906 1.682 . . . . 99.99 111.529 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.7 70.47 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.643 0.777 . . . . 99.99 111.848 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -132.65 90.92 31.55 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.523 ' HB3' ' O ' ' E' ' 353' ' ' HIS . 62.4 Cg_endo -83.4 91.51 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.009 2.473 . . . . 99.99 113.14 -173.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 58.5 m 74.93 -36.44 0.32 Allowed 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.284 1.216 . . . . 99.99 114.284 168.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 68.06 -81.36 0.19 Allowed Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.113 0.387 . . . . 99.99 112.371 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -157.58 103.2 1.92 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.318 1.047 . . . . 99.99 109.639 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 5.5 tt -159.21 93.5 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 124.88 1.272 . . . . 99.99 108.788 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -110.18 88.83 0.53 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.099 -0.801 . . . . 99.99 111.099 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.08 -31.66 72.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.638 0.775 . . . . 99.99 110.951 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 54.5 p 57.46 101.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.953 1.701 . . . . 99.99 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.72 143.36 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.268 0.627 . . . . 99.99 109.81 171.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.49 113.87 14.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.116 0.567 . . . . 99.99 110.836 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.41 -13.64 56.47 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.143 0.977 . . . . 99.99 111.363 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.76 -26.59 63.42 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.792 0.837 . . . . 99.99 112.108 -172.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.09 -24.21 66.66 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.09 0.956 . . . . 99.99 112.342 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.98 -19.11 65.82 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.788 0.435 . . . . 99.99 112.129 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.73 -36.08 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.398 0.679 . . . . 99.99 110.116 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.98 -21.0 63.27 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.383 0.673 . . . . 99.99 111.538 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -65.94 -24.08 66.74 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.881 0.873 . . . . 99.99 111.512 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.5 75.5 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.159 0.583 . . . . 99.99 112.436 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.98 -33.33 74.43 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.352 0.661 . . . . 99.99 110.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.56 -38.92 75.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.296 1.038 . . . . 99.99 111.216 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.74 -52.79 48.31 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.24 1.016 . . . . 99.99 110.879 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.7 72.15 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.987 -1.006 . . . . 99.99 112.353 -171.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.61 -49.18 69.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.475 0.71 . . . . 99.99 111.166 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -75.5 -67.91 0.62 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.805 -0.634 . . . . 99.99 110.974 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.69 111.69 23.61 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.083 -173.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 150.87 157.61 7.9 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 114.691 -1.14 . . . . 99.99 110.386 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 9.1 m120 69.02 -172.71 0.18 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.596 1.159 . . . . 99.99 111.757 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 m 73.99 -60.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.661 1.585 . . . . 99.99 111.795 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.05 -158.75 0.31 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.512 1.125 . . . . 99.99 110.44 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.86 160.3 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.989 0.515 . . . . 99.99 110.447 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 55.5 mt -132.01 103.64 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 108.158 -1.052 . . . . 99.99 108.158 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 45.0 t -80.59 133.56 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.431 0.692 . . . . 99.99 109.32 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 70.1 p -114.13 130.25 56.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.914 0.886 . . . . 99.99 109.512 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.89 118.97 14.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.881 0.472 . . . . 99.99 110.752 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.08 158.52 30.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.265 0.626 . . . . 99.99 110.586 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -153.23 101.43 2.54 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.918 0.487 . . . . 99.99 109.825 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -81.8 141.32 33.59 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.886 0.874 . . . . 99.99 109.899 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 394' ' ' HIS . . . . . 0.465 ' HA ' ' HB3' ' E' ' 397' ' ' GLN . 45.3 m80 -97.29 -16.32 20.37 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.702 0.801 . . . . 99.99 111.198 174.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -53.23 -48.23 68.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.817 0.847 . . . . 99.99 112.481 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 32.8 p -109.12 24.79 12.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.727 0.811 . . . . 99.99 110.492 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 397' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' E' ' 394' ' ' HIS . 0.9 OUTLIER -136.12 107.8 7.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.702 -0.851 . . . . 99.99 108.702 -173.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 398' ' ' ILE . . . . . 0.468 HG21 ' HA3' ' E' ' 407' ' ' GLY . 2.5 mp -71.47 118.11 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.425 1.09 . . . . 99.99 109.75 -176.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 399' ' ' VAL . . . . . 0.686 HG22 ' HD2' ' E' ' 401' ' ' PRO . 9.4 p -144.65 165.3 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 123.313 0.645 . . . . 99.99 110.106 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -79.89 -52.04 1.09 Allowed Pre-proline 0 CA--C 1.564 1.492 0 CA-C-O 118.584 -0.722 . . . . 99.99 112.34 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.686 ' HD2' HG22 ' E' ' 399' ' ' VAL . 91.0 Cg_endo -95.2 135.54 0.67 Allowed 'Trans proline' 0 C--N 1.39 2.718 0 C-N-CA 121.799 1.666 . . . . 99.99 113.784 172.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 65.21 102.14 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.536 1.534 . . . . 99.99 112.477 170.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.0 m 63.15 80.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.272 1.429 . . . . 99.99 109.694 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 404' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' E' ' 399' ' ' VAL . 94.6 mttt -74.2 -66.78 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.827 -1.079 . . . . 99.99 110.834 -172.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 59.98 104.69 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 125.072 1.349 . . . . 99.99 111.287 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.02 95.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.961 2.441 . . . . 99.99 112.444 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 407' ' ' GLY . . . . . 0.468 ' HA3' HG21 ' E' ' 398' ' ' ILE . . . -88.13 46.07 3.36 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.597 -0.729 . . . . 99.99 113.624 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 57.66 20.67 6.53 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.003 1.321 . . . . 99.99 112.927 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 3.6 t -90.63 78.07 6.29 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 108.301 -0.999 . . . . 99.99 108.301 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 65.12 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.412 1.485 . . . . 99.99 110.714 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 59.1 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.603 1.561 . . . . 99.99 113.302 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' E' ' 415' ' ' LYS . 0.6 OUTLIER -90.24 16.77 8.02 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.975 0.91 . . . . 99.99 110.922 -177.356 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 66.85 -81.72 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.175 1.39 . . . . 99.99 111.079 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 8.0 p -67.19 -28.29 67.97 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.012 0.525 . . . . 99.99 110.195 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' E' ' 412' ' ' LEU . 28.7 ttpp 67.09 -75.18 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.089 1.356 . . . . 99.99 112.555 167.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.71 -31.23 71.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.005 0.922 . . . . 99.99 110.388 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 66.54 53.48 28.15 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 110.4 -1.08 . . . . 99.99 110.4 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -79.44 53.71 1.59 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.906 1.283 . . . . 99.99 112.517 -167.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.7 m -157.98 174.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 124.818 1.247 . . . . 99.99 110.545 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 56.86 7.0 0.36 Allowed 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 117.003 2.223 . . . . 99.99 117.003 158.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 37.7 t -93.66 -54.25 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.065 0.848 . . . . 99.99 109.457 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 422' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 21.7 ttt 57.99 -85.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.016 1.326 . . . . 99.99 112.038 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.6 t 54.83 76.41 0.25 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.818 0.847 . . . . 99.99 109.046 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -60.71 97.54 0.06 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 115.041 -0.982 . . . . 99.99 112.175 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -92.13 11.15 72.86 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.367 -0.833 . . . . 99.99 112.794 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.94 -59.16 1.0 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.91 0.884 . . . . 99.99 109.438 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 427' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' E' ' 430' ' ' ASP . 48.1 p 38.83 37.91 0.24 Allowed 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 125.935 1.694 . . . . 99.99 113.485 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 62.47 -96.46 0.06 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 125.268 1.427 . . . . 99.99 111.796 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -89.01 -27.72 20.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.908 0.483 . . . . 99.99 110.785 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 430' ' ' ASP . . . . . 0.403 ' HB3' ' OG ' ' E' ' 427' ' ' SER . 31.6 t70 -65.56 -60.96 2.39 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.217 0.607 . . . . 99.99 112.133 -167.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -67.62 -26.39 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.205 0.817 . . . . 99.99 113.205 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.11 -27.49 63.63 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.588 0.631 . . . . 99.99 110.799 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 52.92 46.35 26.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.136 0.974 . . . . 99.99 111.24 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 48.3 m80 69.58 -77.59 0.05 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.309 1.444 . . . . 99.99 110.651 -173.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 68.0 m 60.1 88.45 0.08 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.727 1.211 . . . . 99.99 110.213 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -68.82 137.38 30.17 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.475 175.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 16.7 m -56.89 -39.47 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.881 0.872 . . . . 99.99 111.0 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -95.34 91.96 6.49 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.474 -1.239 . . . . 99.99 108.636 171.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.575 ' H ' HD13 ' E' ' 439' ' ' LEU . 0.0 OUTLIER -115.22 16.44 16.9 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.121 0.968 . . . . 99.99 110.313 175.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 59' ' ' VAL . 2.1 mpt_? -79.74 -29.76 40.64 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.544 -0.753 . . . . 99.99 110.343 -170.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 74.1 mt 71.54 -66.11 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 125.105 1.362 . . . . 99.99 112.263 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.94 -169.97 1.48 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.071 1.348 . . . . 99.99 113.261 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -63.35 149.16 46.45 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.433 1.093 . . . . 99.99 111.539 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 444' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.5 m-85 -73.56 -85.42 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.197 0.599 . . . . 99.99 111.196 -174.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -171.03 169.15 42.24 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.59 -0.561 . . . . 99.99 112.814 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -78.36 168.76 21.09 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.232 2.622 . . . . 99.99 113.086 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 447' ' ' HIS . . . . . 0.521 ' HA ' HG21 ' A' ' 55' ' ' VAL . 3.7 p80 -109.67 -37.86 5.56 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.604 0.362 . . . . 99.99 111.77 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 59.71 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.374 1.07 . . . . 99.99 110.427 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 174.51 156.8 0.15 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.797 1.639 . . . . 99.99 108.312 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.13 165.7 31.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -27.23 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-O 121.592 0.71 . . . . 99.99 111.349 175.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 54' ' ' ASP . 31.3 m -84.96 -159.08 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-N 114.813 -1.085 . . . . 99.99 113.042 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 453' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 54' ' ' ASP . . . 170.28 118.83 0.47 Allowed Glycine 0 C--N 1.35 1.318 0 N-CA-C 109.671 -1.372 . . . . 99.99 109.671 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 454' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 56' ' ' TYR . 67.5 tp -61.78 91.23 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 117.87 0.835 . . . . 99.99 111.349 -172.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 40.1 p -86.65 115.43 24.1 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.146 0.979 . . . . 99.99 108.395 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.65 163.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.816 1.246 . . . . 99.99 111.913 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -134.56 99.81 4.46 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.14 0.976 . . . . 99.99 109.411 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 458' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 98' ' ' LEU . 55.9 m -84.42 138.03 33.05 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.508 0.723 . . . . 99.99 110.335 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.56 -176.42 3.61 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.778 0.831 . . . . 99.99 110.438 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.7 106.55 3.57 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.669 -0.696 . . . . 99.99 109.174 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -90.94 22.64 3.54 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.898 0.879 . . . . 99.99 113.053 -169.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -162.72 159.37 24.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.067 0.547 . . . . 99.99 111.397 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 39.6 m -101.96 124.83 48.24 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.302 -0.999 . . . . 99.99 108.302 170.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 1.6 tmt? -95.42 144.12 26.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.896 0.478 . . . . 99.99 110.544 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -145.78 119.89 9.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.335 1.054 . . . . 99.99 109.416 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -165.94 170.45 13.7 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.575 0.75 . . . . 99.99 110.616 172.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.34 165.22 37.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.338 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 128' ' ' LEU . 83.4 mt -98.95 124.1 43.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 124.046 0.938 . . . . 99.99 109.946 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -76.11 78.16 1.28 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.748 -0.941 . . . . 99.99 110.748 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.27 80.84 3.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 106.409 -1.7 . . . . 99.99 106.409 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 124.53 1.132 . . . . 99.99 108.329 -166.43 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.447 -0.575 . . . . 99.99 109.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 7' ' ' THR . 11.3 t 63.37 -154.75 0.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 99.99 110.825 172.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.93 91.61 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.879 1.271 . . . . 99.99 109.21 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 74.91 -17.62 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.742 1.617 . . . . 99.99 112.409 -171.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -95.92 36.44 1.3 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.195 0.998 . . . . 99.99 109.459 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 67.06 126.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.603 1.561 . . . . 99.99 110.528 -171.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 41.5 p -67.28 -62.01 1.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.073 0.549 . . . . 99.99 110.921 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -170.98 -47.73 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.322 1.049 . . . . 99.99 109.656 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -101.83 138.05 39.31 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 170.51 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -151.76 145.81 25.27 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.182 0.515 . . . . 99.99 111.719 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 41.9 t80 -129.9 112.7 13.8 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.682 -1.599 . . . . 99.99 106.682 168.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -136.43 125.55 24.53 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 87.02 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 27.8 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 12.57 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 37.56 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 5.43 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 6.92 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 5.61 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 12.68 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 32.78 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' HE3' ' B' ' 19' ' ' LYS . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 57.34 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' E' ' 468' ' ' LEU . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 48.36 108.959 171.316 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 ' SD ' ' E' ' 464' ' ' MET . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 97.85 110.104 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HA ' ' HB2' ' E' ' 460' ' ' LEU . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 43.33 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 41.53 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 88.8 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 73.87 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' E' ' 251' ' ' ALA . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' E' ' 251' ' ' ALA . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.04 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 54.22 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 29.36 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 19.86 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 13.6 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 17.22 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 14.92 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 21.43 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 23.61 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 57.75 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 93.1 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 30.12 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 22.88 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 30.01 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 14.44 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 9.47 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 20.02 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 66.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m -76.11 107.67 8.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' SD ' ' A' ' 94' ' ' MET . 2.6 pp -133.3 134.42 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.824 0.85 . . . . 99.99 109.528 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -174.23 167.51 4.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.688 1.195 . . . . 99.99 109.923 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.88 -8.7 76.24 Favored Glycine 0 C--N 1.351 1.392 0 O-C-N 123.387 0.429 . . . . 99.99 113.335 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.643 HG12 ' HB2' ' A' ' 94' ' ' MET . 0.2 OUTLIER -139.86 178.42 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.796 1.238 . . . . 99.99 109.395 178.302 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.78 -170.64 2.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.28 0.632 . . . . 99.99 111.029 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.34 -155.64 52.62 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-N 115.426 -0.806 . . . . 99.99 113.156 170.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 40.4 p -66.07 -17.93 65.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.149 0.98 . . . . 99.99 111.872 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.52 -56.79 13.26 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.121 0.969 . . . . 99.99 109.544 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.643 ' HB2' HG12 ' A' ' 89' ' ' ILE . 27.8 ttp -75.65 -33.22 60.44 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.57 -0.286 . . . . 99.99 110.726 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 92' ' ' THR . . . -62.99 -37.99 89.36 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 115.794 -0.639 . . . . 99.99 112.166 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -68.97 -23.89 64.18 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 118.335 0.516 . . . . 99.99 110.972 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 t -73.98 -64.06 1.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.895 -0.593 . . . . 99.99 109.417 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp -77.92 -15.03 59.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 -170.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 134' ' ' ASP . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 95.56 111.614 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 94.48 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 73.2 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 48.9 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 94.19 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 55.88 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD21 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 21.71 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 15.39 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 9.95 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 20.66 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 7.34 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 15.45 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.496 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 4.41 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG13 HG21 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 7.34 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 7.28 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 4.96 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 48.88 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 26.6 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 17.97 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 8.38 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 20.1 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 13.71 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 20.05 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 56.76 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 HD11 ' E' ' 468' ' ' LEU . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 62.97 111.025 175.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 56.46 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 77.42 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t -99.19 131.52 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -82.59 82.53 7.94 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.079 0.952 . . . . 99.99 109.5 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -69.84 -24.5 63.45 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.427 0.691 . . . . 99.99 110.512 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.49 ' HA ' ' HB1' ' A' ' 100' ' ' ALA . 2.1 m-20 -67.33 -33.33 75.03 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.867 1.267 . . . . 99.99 110.334 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.59 89.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.173 0.989 . . . . 99.99 111.094 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.08 -38.08 45.07 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.168 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.403 ' CD2' ' HZ ' ' E' ' 461' ' ' PHE . 5.5 t80 -72.46 -22.8 61.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.767 0.427 . . . . 99.99 110.75 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 40.2 tpp -59.2 -27.25 65.55 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.748 0.819 . . . . 99.99 110.889 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -73.8 -48.46 31.29 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.359 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -54.06 -39.76 66.53 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.091 0.556 . . . . 99.99 110.44 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.52 -10.87 28.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.561 1.544 . . . . 99.99 112.088 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -143.09 16.76 1.92 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.349 0.66 . . . . 99.99 110.501 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -115.83 -9.54 11.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.71 0.804 . . . . 99.99 110.323 169.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 52.78 88.73 0.03 OUTLIER 'General case' 0 C--N 1.368 1.374 0 C-N-CA 124.911 1.284 . . . . 99.99 111.126 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 65.46 -89.34 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.508 1.123 . . . . 99.99 110.242 -171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.41 -98.2 0.12 Allowed Glycine 0 C--N 1.344 1.002 0 N-CA-C 111.547 -0.621 . . . . 99.99 111.547 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.38 -72.25 0.44 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.971 0.509 . . . . 99.99 109.913 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.2 -79.82 0.34 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 110.673 -0.971 . . . . 99.99 110.673 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 31.7 p -131.42 -48.52 0.99 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.071 0.948 . . . . 99.99 108.9 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 59.24 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.045 1.738 . . . . 99.99 110.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.78 162.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.295 1.438 . . . . 99.99 112.771 169.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -69.17 -13.32 62.35 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.024 168.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.466 ' HB2' ' HB2' ' E' ' 449' ' ' ALA . 65.0 tt0 -57.72 -19.97 31.09 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.985 1.314 . . . . 99.99 111.81 169.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.54 26.13 2.0 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.637 1.175 . . . . 99.99 110.283 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.37 0 C-N-CA 124.417 1.087 . . . . 99.99 110.572 -175.065 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.501 0.191 . . . . 99.99 110.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -81.16 -150.82 0.08 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 123.051 0.54 . . . . 99.99 110.145 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.23 77.42 0.31 Allowed 'General case' 0 C--N 1.369 1.416 0 C-N-CA 124.217 1.007 . . . . 99.99 108.466 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 67.0 mt-30 -70.24 83.21 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.207 -1.361 . . . . 99.99 112.421 -166.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 30.9 t30 47.04 -92.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.32 1.448 . . . . 99.99 112.188 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -157.25 -45.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.127 1.371 . . . . 99.99 108.494 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -140.03 72.97 1.41 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-N 115.194 -0.912 . . . . 99.99 109.844 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' B' ' 4' ' ' GLN . 39.4 mm-40 -109.11 128.28 54.87 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.337 -0.986 . . . . 99.99 108.337 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 87' ' ' ALA . 4.3 ptm 65.82 169.63 0.22 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.254 1.821 . . . . 99.99 112.559 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -156.79 143.94 18.79 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.779 0.831 . . . . 99.99 109.377 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 -150.88 152.22 33.35 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.73 0.812 . . . . 93.55 110.201 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 40.88 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 85.25 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 95.33 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.542 HG23 HD22 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 13.6 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 23.1 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.618 HG21 HD11 ' B' ' 21' ' ' ILE . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 6.51 108.832 173.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 28' ' ' ALA . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 19.94 110.373 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.618 HD11 HG21 ' B' ' 18' ' ' THR . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 5.14 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.499 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 19.25 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 9.84 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 18.09 108.866 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 49.39 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.552 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 98.87 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.575 HG21 HG23 ' E' ' 307' ' ' THR . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 72.1 109.7 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.459 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.498 HD22 ' H ' ' E' ' 7' ' ' ALA . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 96.73 110.283 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.473 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' E' ' 8' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 67.27 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 66.97 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 35.64 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 74.75 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 43.74 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 89.61 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 85.91 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 76.71 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 98.07 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.548 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.468 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 57.34 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 21.57 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.438 HD21 HD23 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 62.33 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 95.32 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.743 HG11 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 14.84 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 28.15 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.589 HG21 HG21 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 18.14 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 24.35 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 26.44 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.52 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 56.64 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 62.67 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 81.37 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.442 ' HG2' ' HE ' ' E' ' 314' ' ' ARG . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 33.32 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.52 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 25.99 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 18.76 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 16.93 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 12.76 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.456 HG13 HD13 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 8.91 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 33.15 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 11.78 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 39.34 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.468 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 63.88 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 82.93 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.814 ' HB ' HG11 ' E' ' 18' ' ' VAL . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 98.2 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.546 ' SD ' HG22 ' E' ' 18' ' ' VAL . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 71.23 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 59.87 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 71.19 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 50.37 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 36.29 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 87.59 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 37.19 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.542 HD22 HG23 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 13.07 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 10.37 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 12.29 111.068 -176.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 8.75 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.671 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 59.14 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 13.3 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.611 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 9.86 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 13.13 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.02 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 26.78 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 13.3 110.4 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 29.79 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.496 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.461 HG22 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 23.15 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.512 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 23.84 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 29.89 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.403 ' HB3' HE21 ' C' ' 125' ' ' GLN . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.489 HD21 HG21 ' E' ' 6' ' ' ILE . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 73.04 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.743 HD21 HG11 ' B' ' 62' ' ' VAL . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 90.81 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' E' ' 306' ' ' VAL . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 43.15 111.702 -179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 61.27 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.57 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -78.89 74.32 5.42 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -85.42 -21.64 28.69 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.861 -1.063 . . . . 99.99 111.468 -170.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.62 -28.6 67.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.056 0.542 . . . . 99.99 110.962 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.19 -46.48 67.37 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.68 -0.691 . . . . 99.99 110.947 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.28 -20.23 60.87 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 119.644 -0.217 . . . . 99.99 110.704 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' PHE . . . . . 0.448 ' HE2' ' H ' ' E' ' 11' ' ' LEU . 10.7 t80 -69.24 -48.66 61.26 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.625 1.17 . . . . 99.99 108.856 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -62.18 -38.34 88.7 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.378 -1.283 . . . . 99.99 109.493 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -76.41 -29.0 56.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.754 -1.566 . . . . 99.99 110.743 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.01 -33.55 76.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.616 1.167 . . . . 99.99 110.315 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 50.5 mt -76.76 -7.12 54.79 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.688 -0.687 . . . . 99.99 111.229 -177.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -92.04 -2.76 56.51 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.936 0.894 . . . . 99.99 111.676 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -132.57 157.08 45.64 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.14 -0.689 . . . . 99.99 109.14 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? 68.65 -78.1 0.05 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.311 1.444 . . . . 99.99 109.454 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.39 -81.76 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.607 1.163 . . . . 99.99 110.21 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.54 72.52 Favored Glycine 0 C--N 1.359 1.818 0 C-N-CA 123.754 0.692 . . . . 99.99 114.179 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -102.52 -82.79 0.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.437 -0.949 . . . . 99.99 108.437 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 65.7 85.64 0.07 OUTLIER Glycine 0 C--N 1.358 1.8 0 CA-C-O 119.755 -0.47 . . . . 99.99 112.095 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 4.3 t -52.75 103.63 0.07 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.428 1.091 . . . . 99.99 113.315 -170.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -158.85 100.68 1.6 Allowed 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.81 -1.182 . . . . 99.99 107.81 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.98 11.74 5.34 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.873 1.269 . . . . 99.99 112.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.21 -53.75 4.22 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.502 0.721 . . . . 99.99 110.766 -171.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -94.54 30.28 2.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.157 0.583 . . . . 99.99 110.324 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t70 68.44 -72.88 0.09 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.36 1.464 . . . . 99.99 110.964 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 C-N-CA 124.063 0.945 . . . . 99.99 108.709 177.05 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.518 -0.549 . . . . 99.99 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -156.79 82.07 0.95 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.972 -1.121 . . . . 99.99 107.972 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.761 ' HB3' ' HA2' ' C' ' 91' ' ' GLY . 2.7 mp0 -81.73 0.42 39.09 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.252 -0.885 . . . . 99.99 111.863 -173.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 71.32 122.36 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.946 1.699 . . . . 99.99 112.699 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.18 -29.69 11.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.607 1.163 . . . . 99.99 109.837 172.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -53.66 136.73 38.8 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.332 1.053 . . . . 99.99 111.773 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 42.4 m 78.2 -41.27 0.31 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.768 1.627 . . . . 99.99 113.117 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 63.4 48.11 3.66 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.326 1.051 . . . . 99.99 109.563 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' C' ' 88' ' ' GLY . 26.1 ttm 65.92 141.67 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.019 1.728 . . . . 99.99 113.728 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.406 ' H ' ' HA3' ' C' ' 88' ' ' GLY . 26.4 m -119.32 114.78 22.9 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 107.467 -1.309 . . . . 99.99 107.467 166.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -125.48 145.32 50.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.599 0.76 . . . . 99.99 110.543 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 56.3 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.403 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 93.16 111.278 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ILE . . . . . 0.54 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 11.74 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 6.91 109.815 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 21.95 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 5.12 107.492 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 9.28 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 8.82 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 12.04 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 30.41 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.486 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 48.75 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.508 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 55.24 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 88.6 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.63 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 68.93 112.117 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 87.15 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 94.05 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 71.87 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 62.96 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 35.73 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 56.22 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 43.42 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 94.06 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 81.86 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 29.6 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 20.9 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 69.19 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 14.53 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.42 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 17.7 108.901 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 29.53 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 32.22 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 59.66 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 97.29 110.492 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 76.35 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 37.0 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 34.06 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 39.96 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.465 HD23 HG23 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 16.54 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 9.25 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.675 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 25.23 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 80' ' ' GLN . . . . . 0.478 HE21 HG22 ' C' ' 16' ' ' ILE . 69.3 tp60 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 10.6 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 30.38 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt -151.59 116.18 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.54 4.35 2.61 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.691 0.796 . . . . 99.99 109.341 161.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' C' ' 9' ' ' MET . . . -68.81 100.92 0.73 Allowed Glycine 0 C--N 1.355 1.594 0 O-C-N 123.907 0.754 . . . . 99.99 111.698 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mm -75.14 128.03 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.627 0.771 . . . . 99.99 109.238 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.449 ' H ' ' HB2' ' C' ' 94' ' ' MET . 1.0 OUTLIER -150.86 76.45 1.24 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.636 -1.246 . . . . 99.99 107.636 -174.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.761 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 59.27 -143.86 45.76 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 114.295 -1.321 . . . . 99.99 113.429 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 25.7 m -78.63 -17.38 56.1 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.943 0.897 . . . . 99.99 109.663 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.72 -33.3 75.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.735 0.814 . . . . 99.99 111.645 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.449 ' HB2' ' H ' ' C' ' 90' ' ' GLU . 16.0 tmm? -51.6 -52.81 44.49 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.705 0.402 . . . . 99.99 110.45 167.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.84 -30.61 70.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.75 -1.114 . . . . 99.99 112.031 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -74.52 -49.88 20.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.217 0.607 . . . . 99.99 110.657 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m -63.29 -43.46 97.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.694 . . . . 99.99 110.921 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.492 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' GLY . . . . . 0.529 ' HA3' HD22 ' E' ' 280' ' ' LEU . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 68.51 114.122 -176.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' C' ' 134' ' ' ASP . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 56.52 110.586 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.408 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 56.59 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 39.21 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 8.71 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 37.06 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 16.74 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 9.85 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 5.88 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 7.64 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 20.64 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.714 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 13.9 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 8.58 110.507 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 8.54 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 6.56 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.441 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 5.22 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 28.53 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 17.6 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' THR . . . . . 0.56 HG23 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 15.17 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 24.81 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' E' ' 301' ' ' ILE . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 29.42 111.675 -177.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 125' ' ' GLN . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' C' ' 126' ' ' LEU . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 59.85 104.276 170.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 41.85 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.546 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 38.57 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 24.62 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 24.48 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 68.05 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.41 -33.82 76.86 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 134' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' C' ' 100' ' ' ALA . 10.8 p-10 -59.54 -32.4 70.3 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.287 1.035 . . . . 99.99 111.491 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.34 36.25 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.284 0.99 . . . . 99.99 110.998 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.15 -38.5 65.58 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.515 1.126 . . . . 99.99 112.828 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -61.74 -53.18 59.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.498 0.719 . . . . 99.99 111.768 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -40.45 36.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.349 0.66 . . . . 99.99 110.69 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -54.56 -37.32 65.32 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.271 1.428 . . . . 99.99 111.435 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -47.17 -83.01 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 O-C-N 124.256 0.972 . . . . 99.99 109.847 167.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 tp 62.28 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.3 1.04 . . . . 99.99 111.1 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -147.16 23.58 1.18 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.598 0.759 . . . . 99.99 109.614 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -127.12 119.75 27.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.413 0.685 . . . . 99.99 110.001 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 144' ' ' GLN . . . . . 0.623 ' HA ' HD22 ' E' ' 266' ' ' ASN . 83.7 mm-40 -87.93 -53.67 4.63 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.016 0.926 . . . . 99.99 110.071 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 61.32 -170.38 0.16 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.358 1.063 . . . . 99.99 111.772 -174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.77 -77.9 1.57 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.503 -0.639 . . . . 99.99 111.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 70.04 159.44 0.19 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.336 1.454 . . . . 99.99 112.917 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.63 134.08 12.75 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 114.981 -1.008 . . . . 99.99 112.246 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 39.9 p -110.28 140.28 44.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.547 1.139 . . . . 99.99 108.09 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -77.28 -67.68 0.69 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.979 -0.748 . . . . 99.99 108.979 -176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 49.85 89.51 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.62 1.168 . . . . 99.99 111.932 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.71 -15.93 62.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.387 0.675 . . . . 99.99 111.978 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 65.11 106.64 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.993 1.317 . . . . 99.99 111.292 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.94 -30.81 62.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 99.99 111.701 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 178.839 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.551 0.215 . . . . 99.99 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 48.82 -82.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 126.523 1.929 . . . . 99.99 115.398 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.65 -77.2 0.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.039 0.936 . . . . 99.99 110.534 -169.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.52 -21.22 42.06 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.145 0.978 . . . . 99.99 110.985 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 63.6 t30 71.28 -65.92 0.32 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.643 1.577 . . . . 99.99 110.322 -164.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 77.92 -48.24 0.48 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.532 1.533 . . . . 99.99 112.027 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -68.35 87.84 0.31 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 122.204 1.002 . . . . 99.99 110.987 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -176.55 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.593 1.557 . . . . 99.99 107.774 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -31.2 130.82 0.11 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.269 1.827 . . . . 99.99 113.561 172.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p -110.05 132.16 54.41 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 76.43 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG23 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 79.46 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ILE . . . . . 0.542 HG23 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 53.22 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.56 ' HB3' HG23 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 19.87 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 8.43 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 36.9 110.581 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.441 HG21 ' HE2' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 4.02 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 7.64 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 5.08 105.692 167.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 7.19 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 13.41 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 13.9 m120 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 12.01 115.918 -170.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 20.55 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 22.26 109.739 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 34.6 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' LYS . . . . . 0.638 ' HZ1' ' HB3' ' D' ' 71' ' ' GLU . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 31.63 110.412 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 49.29 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 31.29 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 52.79 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.51 HD21 HD22 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 74.77 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 66.01 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 77.52 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 38.8 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 48.36 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 52.73 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.71 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 82.32 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 96.95 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 82.8 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 44.56 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 19.48 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 52.2 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 9.25 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 63' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 10.79 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 9.72 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 19.36 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 11.33 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 29.87 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.44 HD12 HG13 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 24.97 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 27.84 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 71' ' ' GLU . . . . . 0.638 ' HB3' ' HZ1' ' D' ' 34' ' ' LYS . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 11.35 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.524 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 10.67 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 7.73 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 75' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 11.05 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 77' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 5.05 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 21.68 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.29 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.433 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 43.57 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 77.58 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.636 HG22 HD13 ' E' ' 97' ' ' ILE . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 88.57 108.813 -167.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.793 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.793 ' HB2' HD13 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 95' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' E' ' 102' ' ' LEU . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 88.9 111.718 -175.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 95.17 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 66.02 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 54.11 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 40.76 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 34.31 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 28.69 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 104' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' D' ' 132' ' ' ASN . 5.5 m-20 -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 61.29 110.85 174.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 19.65 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 13.09 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 10.47 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 6.22 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 109' ' ' TYR . . . . . 0.405 ' HE2' ' HD3' ' B' ' 111' ' ' ARG . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 10.48 111.92 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 4.16 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.692 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 10.22 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.39 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' D' ' 76' ' ' CYS . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 5.37 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 7.06 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 6.71 110.959 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.423 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 5.08 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 5.65 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 10.21 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.714 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 6.99 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 18.26 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 123' ' ' PHE . . . . . 0.553 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 20.06 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 16.85 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 14.84 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 127' ' ' ASN . . . . . 0.438 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 76.73 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.51 HD22 HD21 ' D' ' 42' ' ' LEU . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 20.32 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 28.37 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.692 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 32.68 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 69.78 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 132' ' ' ASN . . . . . 0.505 ' HA ' ' ND2' ' D' ' 104' ' ' ASN . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -49.21 -61.99 1.78 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.45 68.85 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 114.873 -1.058 . . . . 99.99 111.833 -171.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.48 -44.0 95.66 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.388 0.675 . . . . 99.99 110.878 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.93 -35.75 64.63 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.816 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 138' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' D' ' 138' ' ' MET . 34.6 ttm -57.87 -36.67 72.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.022 1.329 . . . . 99.99 111.381 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -73.66 -53.7 9.82 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.388 -0.824 . . . . 99.99 110.247 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.27 -34.5 76.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -168.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.21 -55.74 25.56 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.101 0.96 . . . . 99.99 111.608 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -82.66 2.47 33.36 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.056 0.542 . . . . 99.99 111.876 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -120.93 49.3 1.49 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 108.392 -0.966 . . . . 99.99 108.392 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -143.68 15.38 1.78 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.977 -1.465 . . . . 99.99 109.391 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -106.63 151.87 24.5 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.82 -1.082 . . . . 99.99 109.839 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.72 25.06 Favored Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.268 -0.423 . . . . 99.99 112.503 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 63.13 -78.32 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.537 1.535 . . . . 99.99 111.018 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.91 23.71 0.07 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 35.4 p -67.73 -35.55 78.95 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.597 0.759 . . . . 99.99 110.725 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 150' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' D' ' 154' ' ' ASP . 0.3 OUTLIER 65.61 96.91 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.063 1.345 . . . . 99.99 110.091 176.168 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -74.08 -18.02 60.87 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.946 -1.025 . . . . 99.99 113.121 -167.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -91.66 -22.1 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.066 0.546 . . . . 99.99 112.076 -170.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -153.95 -43.69 0.09 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.224 0.609 . . . . 99.99 110.697 -168.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 154' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' D' ' 150' ' ' GLU . 27.3 t70 75.47 120.51 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.287 1.435 . . . . 99.99 109.627 -169.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 123.864 0.866 . . . . 99.99 111.144 -171.805 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' E' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -117.27 9.69 13.52 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.825 0.85 . . . . 99.99 110.836 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -128.57 -49.94 1.27 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.712 1.205 . . . . 99.99 108.739 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' SER . . . . . 0.531 ' HB3' ' HB3' ' E' ' 308' ' ' CYS . 15.3 m -69.57 101.15 1.56 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.984 -1.007 . . . . 99.99 109.969 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -115.99 129.41 56.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.919 0.888 . . . . 99.99 109.922 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.576 HD11 HG13 ' B' ' 64' ' ' VAL . 2.6 tt -62.91 86.85 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.114 0.959 . . . . 99.99 110.347 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' HG ' ' B' ' 128' ' ' LEU . . . 175.16 -34.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.857 2.063 . . . . 99.99 108.964 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.7 OUTLIER -154.88 124.49 6.5 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.036 0.934 . . . . 99.99 110.64 -170.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.52 79.57 1.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.427 0.691 . . . . 99.99 110.333 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 59.6 98.47 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.019 1.328 . . . . 99.99 111.382 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.448 ' H ' ' HE2' ' B' ' 137' ' ' PHE . 7.8 mp -64.42 143.67 98.52 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.59 1.156 . . . . 99.99 112.024 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.52 3.5 7.76 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.899 2.4 . . . . 99.99 113.503 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 74.5 mt 65.55 92.36 0.07 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.413 1.485 . . . . 99.99 110.591 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.46 -3.04 4.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.054 0.942 . . . . 99.99 112.033 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -76.93 101.35 5.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.172 0.589 . . . . 99.99 110.33 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' THR . . . . . 0.42 HG23 ' HB3' ' E' ' 24' ' ' PRO . 6.7 p -72.68 151.62 91.32 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.158 0.983 . . . . 99.99 110.203 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -35.96 138.75 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 124.806 3.671 . . . . 99.99 114.266 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.814 HG11 ' HB ' ' B' ' 86' ' ' ILE . 1.3 t -56.75 -27.23 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 124.263 0.977 . . . . 99.99 111.932 -169.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 47.3 p -60.34 77.72 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.542 1.537 . . . . 99.99 111.309 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' E' ' 20' ' ' LYS . 5.6 ttpm? 56.47 77.33 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.619 1.168 . . . . 99.99 110.247 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 146.46 41.77 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.019 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -153.34 178.67 9.52 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.118 0.967 . . . . 99.99 109.414 -171.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -53.05 116.96 10.23 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.544 1.137 . . . . 99.99 111.866 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' PRO . . . . . 0.42 ' HB3' HG23 ' E' ' 16' ' ' THR . 90.1 Cg_endo -76.75 169.19 22.21 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.577 2.851 . . . . 99.99 114.052 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.07 160.03 16.03 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.366 166.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtm -56.73 99.92 0.2 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 124.25 1.02 . . . . 99.99 111.542 -176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.18 95.09 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 123.031 2.487 . . . . 99.99 112.481 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.19 -59.98 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.115 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp 51.92 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.854 1.262 . . . . 99.99 109.896 -166.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -156.01 -51.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.76 0.824 . . . . 99.99 109.498 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' E' ' 34' ' ' ALA . 2.4 t-20 -132.03 51.43 2.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.204 -0.907 . . . . 99.99 108.992 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 61.36 -83.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.683 1.593 . . . . 99.99 111.46 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.96 21.12 5.16 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.572 1.149 . . . . 99.99 110.674 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' E' ' 31' ' ' ASN . . . 70.75 -72.24 0.12 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.262 1.425 . . . . 99.99 111.153 -174.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.61 43.39 7.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.498 0.719 . . . . 99.99 109.263 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.03 51.87 4.65 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 115.308 -0.86 . . . . 99.99 111.797 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -100.03 160.74 14.08 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.878 1.271 . . . . 99.99 109.43 -177.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.69 143.38 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.8 m -83.96 64.84 8.35 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.81 0.814 . . . . 99.99 111.074 -175.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 40' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' E' ' 41' ' ' PRO . . . -171.59 41.32 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.481 0 C-N-CA 125.823 1.649 . . . . 99.99 110.241 171.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 41' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' E' ' 40' ' ' ALA . 6.2 Cg_exo -75.19 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.403 2.069 . . . . 99.99 111.504 -169.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.68 59.27 4.6 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 110.573 -1.011 . . . . 99.99 110.573 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.19 -35.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.288 -1.125 . . . . 99.99 110.288 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.0 40.33 31.99 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.136 0.975 . . . . 99.99 110.889 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 71.98 -66.48 0.3 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.246 1.418 . . . . 99.99 109.522 -168.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -155.46 94.22 1.57 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.691 1.197 . . . . 99.99 108.59 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.4 ' O ' HG21 ' E' ' 52' ' ' THR . 2.9 pp -80.73 -10.27 59.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.739 0.415 . . . . 99.99 111.593 178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 88.07 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.795 1.238 . . . . 99.99 111.844 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -125.99 35.63 2.94 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.655 -1.157 . . . . 99.99 112.145 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 64.29 -78.46 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.063 1.345 . . . . 99.99 113.498 168.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.24 -11.35 59.41 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.836 0.854 . . . . 99.99 111.718 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 52' ' ' THR . . . . . 0.4 HG21 ' O ' ' E' ' 47' ' ' LEU . 14.7 t -45.28 -31.95 1.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.239 1.57 . . . . 99.99 115.239 -173.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.12 -18.14 59.92 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.559 0.744 . . . . 99.99 112.579 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.36 73.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.075 0.95 . . . . 99.99 111.223 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.421 ' HB2' ' OG ' ' E' ' 58' ' ' SER . 86.7 mt 55.65 33.76 21.91 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.45 1.1 . . . . 99.99 111.693 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 70.79 -81.53 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.637 1.575 . . . . 99.99 111.293 -175.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -100.17 -77.12 0.54 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 119.28 -0.391 . . . . 99.99 110.489 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 58' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' E' ' 55' ' ' LEU . 25.0 m 62.68 86.84 0.11 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.487 1.115 . . . . 99.99 111.26 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.93 171.88 7.17 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.817 -1.083 . . . . 99.99 109.665 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -82.51 -8.56 59.61 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.624 170.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 73.54 -84.61 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.569 . . . . 99.99 110.305 171.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.2 89.06 1.83 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 165.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -91.25 -14.15 1.8 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.811 2.341 . . . . 99.99 113.659 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.504 ' HA ' HG13 ' E' ' 71' ' ' ILE . . . -74.33 69.86 1.64 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.223 1.009 . . . . 99.99 113.06 -164.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 65' ' ' LYS . . . . . 0.622 ' HZ2' ' HB2' ' E' ' 65' ' ' LYS . 5.1 mtmp? -159.25 -166.53 1.84 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.509 1.524 . . . . 99.99 109.308 -171.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 74.34 -71.83 0.12 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.172 1.389 . . . . 99.99 111.79 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 67' ' ' ILE . . . . . 0.437 HG23 ' H ' ' E' ' 69' ' ' LEU . 15.7 tt -128.72 -24.87 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 124.244 1.018 . . . . 99.99 109.553 176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt 61.73 40.98 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 125.183 1.393 . . . . 99.99 110.282 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.437 ' H ' HG23 ' E' ' 67' ' ' ILE . 6.0 tt -89.12 -80.46 0.3 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.916 -1.038 . . . . 99.99 108.605 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -113.41 100.18 8.34 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 0.504 HG13 ' HA ' ' E' ' 64' ' ' ALA . 0.2 OUTLIER -139.08 -179.92 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.888 1.275 . . . . 99.99 108.715 172.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 151.64 11.19 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 111.792 -0.523 . . . . 99.99 111.792 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -164.31 115.6 1.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.816 -1.179 . . . . 99.99 107.816 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.9 -164.07 26.88 Favored Glycine 0 C--N 1.339 0.695 0 O-C-N 123.61 0.569 . . . . 99.99 112.343 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 23.5 ptp -154.63 148.84 25.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.518 0.727 . . . . 99.99 110.304 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.17 146.86 36.89 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 110.647 -0.981 . . . . 99.99 110.647 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.21 162.11 36.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.166 0.586 . . . . 99.99 110.802 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -74.71 -17.07 60.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.925 0.89 . . . . 99.99 112.153 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.45 -20.97 65.06 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.984 0.914 . . . . 99.99 112.123 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 89.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.855 0.862 . . . . 99.99 110.283 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -131.71 -57.29 0.99 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.825 0.85 . . . . 99.99 111.066 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.59 -169.44 0.2 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 124.68 1.192 . . . . 99.99 111.848 -173.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.88 17.85 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.853 0.861 . . . . 99.99 109.099 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -63.76 130.04 42.59 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.067 0.854 . . . . 99.99 110.365 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 85' ' ' ASN . . . . . 0.441 ' H ' ' HB2' ' E' ' 99' ' ' ALA . 9.5 t-20 -143.88 -175.29 4.53 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -78.72 147.17 33.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.737 0.815 . . . . 99.99 112.149 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.95 107.48 6.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.802 1.241 . . . . 99.99 108.564 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.45 -66.66 0.8 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.654 0.782 . . . . 99.99 110.522 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.6 69.95 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 111.597 -0.601 . . . . 99.99 111.597 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.21 117.4 10.79 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.783 0.833 . . . . 99.99 111.666 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.54 146.21 18.07 Favored Glycine 0 C--N 1.349 1.284 0 C-N-CA 123.583 0.611 . . . . 99.99 112.115 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.47 79.13 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.197 -0.361 . . . . 99.99 112.197 -174.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -136.52 160.78 37.74 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.055 1.342 . . . . 99.99 108.528 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.67 135.31 35.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -108.04 134.18 51.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.507 1.123 . . . . 99.99 109.363 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.49 56.52 0.03 OUTLIER Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.4 0.524 . . . . 99.99 113.153 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.636 HD13 HG22 ' D' ' 86' ' ' ILE . 10.7 tp -107.33 -39.19 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.053 0.541 . . . . 99.99 111.414 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.02 82.16 0.11 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.735 1.214 . . . . 99.99 110.412 -163.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 99' ' ' ALA . . . . . 0.441 ' HB2' ' H ' ' E' ' 85' ' ' ASN . . . 66.13 154.35 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.504 1.122 . . . . 99.99 111.816 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.401 ' HB2' HG12 ' E' ' 97' ' ' ILE . 14.5 tp -156.44 64.06 3.48 Favored Pre-proline 0 N--CA 1.486 1.331 0 O-C-N 121.337 -0.852 . . . . 99.99 111.421 -178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -73.84 -39.38 1.84 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.375 2.05 . . . . 99.99 113.13 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 102' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' D' ' 95' ' ' ALA . 2.5 tt 58.15 85.12 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.978 1.311 . . . . 99.99 109.846 -174.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.3 p 54.73 -82.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.003 1.721 . . . . 99.99 113.461 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.79 166.5 11.49 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 64.03 24.88 13.68 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.222 1.009 . . . . 99.99 111.424 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 106' ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' D' ' 47' ' ' ALA . 92.1 m-85 63.91 13.01 7.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.919 1.288 . . . . 99.99 112.324 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m 66.35 -73.0 0.08 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.563 1.545 . . . . 99.99 111.163 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 63.6 t60 61.04 93.34 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.274 1.429 . . . . 99.99 113.198 171.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -145.55 167.28 23.41 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.004 0.922 . . . . 99.99 110.447 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.29 105.84 18.04 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.96 0.904 . . . . 99.99 110.055 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.53 -10.32 57.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.657 0.783 . . . . 99.99 111.453 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -72.55 -27.89 62.49 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -167.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.9 82.51 1.67 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.09 0.405 . . . . 99.99 112.058 -172.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -173.67 113.01 0.2 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.315 1.046 . . . . 99.99 108.188 163.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.7 t -159.94 136.16 8.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.905 0.383 . . . . 99.99 111.231 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.46 -11.64 50.76 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 166.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.53 163.31 62.08 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.679 1.191 . . . . 99.99 110.26 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.79 -178.46 0.1 Allowed 'Trans proline' 0 C--N 1.39 2.756 0 C-N-CA 123.176 2.584 . . . . 99.99 113.767 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 119' ' ' ASP . . . . . 0.403 ' HB3' ' HB ' ' E' ' 122' ' ' THR . 7.7 m-20 -72.66 99.46 2.57 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.941 -0.572 . . . . 99.99 110.947 -177.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -75.13 -62.74 1.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.752 1.221 . . . . 99.99 111.148 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.32 38.56 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-O 122.565 1.174 . . . . 99.99 109.91 -172.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 122' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' E' ' 119' ' ' ASP . 98.4 m -144.1 96.93 2.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.67 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -167.39 -79.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.166 0.986 . . . . 99.99 108.377 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 45.3 m -153.78 122.6 6.37 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.08 0.952 . . . . 99.99 108.997 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -165.3 98.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.691 0.396 . . . . 99.99 111.475 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 71.43 143.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.703 1.601 . . . . 96.83 113.893 167.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.2 t -170.26 139.55 1.76 Allowed 'General case' 0 C--O 1.24 0.602 0 C-N-CA 124.223 1.009 . . . . 99.99 108.521 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.67 134.38 9.88 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.536 0.734 . . . . 74.48 110.157 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.7 t -158.04 170.87 21.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.096 0.958 . . . . 99.99 109.669 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.62 85.74 0.14 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.637 1.175 . . . . 99.99 110.704 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 20.7 p90 -137.35 -2.59 2.0 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.769 0.828 . . . . 99.99 111.517 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 16.3 t -77.22 87.49 3.66 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.08 0.467 . . . . 99.99 111.005 -173.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -74.9 141.57 44.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.635 0.774 . . . . 99.99 109.133 169.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.92 -68.23 1.76 Allowed Glycine 0 C--N 1.347 1.19 0 O-C-N 123.854 0.721 . . . . 89.58 113.187 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 40.4 t 57.41 82.63 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 124.706 1.203 . . . . 99.99 110.157 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -133.6 40.05 3.15 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.832 0.853 . . . . 99.99 110.501 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 22.2 p -122.86 146.35 47.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.123 0.969 . . . . 99.99 110.155 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -114.35 -44.81 3.07 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.893 -0.78 . . . . 99.99 108.893 170.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 62.35 -78.48 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.892 1.277 . . . . 99.99 110.944 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.52 -168.09 12.87 Favored Glycine 0 C--N 1.352 1.466 0 C-N-CA 123.014 0.34 . . . . 99.99 113.085 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -147.05 154.53 41.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.911 0.884 . . . . 99.99 110.353 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.58 93.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.644 1.177 . . . . 99.99 111.348 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.93 -152.63 6.67 Favored Glycine 0 C--N 1.359 1.859 0 C-N-CA 121.329 -0.462 . . . . 99.99 114.179 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.97 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 C-N-CA 125.126 1.37 . . . . 99.99 109.377 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.94 144.77 25.16 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.331 0.653 . . . . 99.99 110.54 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.3 tt -160.64 98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.31 0 C-N-CA 124.389 1.076 . . . . 99.99 109.873 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -140.9 164.93 28.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.229 0.612 . . . . 99.99 109.769 175.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 90.31 -7.67 0.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 126.12 1.768 . . . . 99.99 112.621 170.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -74.45 111.76 9.95 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.631 -1.248 . . . . 99.99 107.631 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.07 151.24 47.44 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.839 0.856 . . . . 99.99 109.063 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 55.9 m80 69.26 137.08 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.64 0 C-N-CA 125.307 1.443 . . . . 99.99 111.426 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.84 67.05 3.16 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.242 2.628 . . . . 99.99 113.526 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 16.7 m 51.2 85.32 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.907 1.683 . . . . 99.99 112.26 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -86.58 1.9 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 CA-C-N 114.915 -1.039 . . . . 99.99 111.862 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -48.0 -35.72 11.44 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.65 1.58 . . . . 99.99 113.527 -172.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -39.5 82.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.483 0.713 . . . . 99.99 111.262 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 26.6 mmt 62.76 -76.89 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.555 1.542 . . . . 99.99 112.386 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.41 125.98 30.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.906 0.882 . . . . 99.99 111.264 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -73.47 -42.25 62.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.271 1.028 . . . . 99.99 111.036 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.09 -11.16 58.92 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.384 1.074 . . . . 99.99 111.873 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 82.85 128.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.942 1.697 . . . . 99.99 110.574 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -73.75 80.58 0.79 Allowed Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.677 -0.692 . . . . 99.99 113.218 -172.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 71.0 mt -129.95 -50.71 1.13 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.421 1.089 . . . . 99.99 109.06 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.42 177.45 0.16 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.918 1.287 . . . . 99.99 112.345 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 p -82.86 90.18 6.91 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.133 0.492 . . . . 99.99 109.921 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -82.57 168.56 48.01 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.403 -0.679 . . . . 99.99 111.403 171.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.2 m120 60.53 30.37 19.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.897 0.879 . . . . 99.99 112.157 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.72 14.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.49 0.716 . . . . 99.99 111.807 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.8 m -70.22 -77.33 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 12.6 p -140.73 112.06 7.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.597 0.759 . . . . 99.99 109.82 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.17 -18.34 53.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.28 0.562 . . . . 99.99 109.798 169.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.03 118.99 19.47 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.8 -1.555 . . . . 99.99 106.8 174.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 54.2 tp -142.3 -48.06 0.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.188 0.595 . . . . 99.99 110.757 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -71.52 103.73 3.06 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.278 0.561 . . . . 99.99 111.4 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -102.15 175.51 5.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.26 1.024 . . . . 99.99 108.949 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 76.84 -44.23 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.434 1.494 . . . . 99.99 112.884 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 57.9 m 66.55 95.24 0.05 OUTLIER Pre-proline 0 CA--C 1.559 1.316 0 C-N-CA 124.35 1.06 . . . . 99.99 110.925 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.38 140.31 87.27 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.988 2.459 . . . . 99.99 112.51 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 73.24 -4.6 2.15 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.842 1.657 . . . . 99.99 112.479 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 64.19 -73.48 0.05 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.343 1.457 . . . . 99.99 112.469 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 56.5 tp -137.9 155.81 48.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.069 0.948 . . . . 99.99 109.827 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 182' ' ' VAL . . . . . 0.513 HG23 HG22 ' E' ' 185' ' ' VAL . 26.9 m -64.31 131.73 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 C-N-CA 123.415 0.686 . . . . 99.99 110.52 173.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.71 -59.33 2.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.879 0.872 . . . . 99.99 111.883 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 184' ' ' HIS . . . . . 0.457 ' HA ' ' HD3' ' E' ' 188' ' ' ARG . 3.9 p80 -88.39 -12.62 42.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 119.295 -0.383 . . . . 99.99 111.926 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 185' ' ' VAL . . . . . 0.513 HG22 HG23 ' E' ' 182' ' ' VAL . 3.9 t 51.53 40.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 C-N-CA 124.398 1.079 . . . . 99.99 110.438 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 24.8 m 60.82 -88.51 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.379 1.472 . . . . 99.99 111.407 -170.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 24.3 p -79.17 87.79 4.89 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.34 0.656 . . . . 99.99 109.423 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 188' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' E' ' 184' ' ' HIS . 24.7 tpt180 -75.69 -51.79 11.95 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.966 -0.561 . . . . 99.99 110.191 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -107.74 -85.19 0.52 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 171.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 71.7 m 53.0 -177.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.544 0.738 . . . . 99.99 112.342 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 32.0 t80 54.49 26.72 7.46 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 124.029 0.932 . . . . 99.99 111.354 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -53.63 -46.09 66.98 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.635 1.112 . . . . 99.99 114.844 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.06 -12.26 7.08 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 123.487 2.791 . . . . 99.99 115.703 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 36.4 t 76.56 -0.61 3.02 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.998 1.319 . . . . 99.99 112.125 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -162.8 -95.04 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.761 0.824 . . . . 99.99 109.841 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 36.0 m 43.66 79.12 0.05 OUTLIER 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.82 1.248 . . . . 99.99 111.71 -171.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 197' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' E' ' 199' ' ' LYS . 55.3 p -61.21 -61.05 2.83 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.877 -1.056 . . . . 99.99 110.772 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 55.7 -1.18 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 126.903 2.081 . . . . 99.99 115.528 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 199' ' ' LYS . . . . . 0.611 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 21.6 pttm -175.56 -27.37 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.6 0.76 . . . . 99.99 110.877 -166.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 23.2 t -64.68 -44.88 75.23 Favored Pre-proline 0 CA--C 1.572 1.788 0 N-CA-C 113.485 0.92 . . . . 99.99 113.485 -169.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 201' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' E' ' 197' ' ' SER . 50.7 Cg_endo -94.92 19.66 0.65 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 122.128 1.885 . . . . 99.99 112.997 169.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.34 10.28 Favored Glycine 0 C--N 1.349 1.261 0 C-N-CA 123.282 0.468 . . . . 99.99 112.04 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 70.12 -66.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.823 1.649 . . . . 99.99 110.9 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -158.68 134.63 9.0 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.589 1.156 . . . . 99.99 108.108 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.07 153.86 33.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.045 0.538 . . . . 99.99 110.943 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 60.37 87.25 0.09 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.483 1.113 . . . . 99.99 111.789 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.45 122.15 44.93 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.677 0.791 . . . . 99.99 110.839 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 208' ' ' GLY . . . . . 0.483 ' HA2' ' HG2' ' E' ' 337' ' ' LYS . . . -176.52 156.02 20.02 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.775 -0.648 . . . . 99.99 112.31 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 74.06 -87.31 0.67 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 123.605 0.238 . . . . 99.99 112.826 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -138.24 146.5 42.65 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.807 1.243 . . . . 99.99 109.145 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 139.92 -114.19 0.96 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.239 -0.756 . . . . 99.99 111.24 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m 71.14 -67.71 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.748 1.619 . . . . 99.99 112.365 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 213' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' E' ' 216' ' ' GLN . 46.1 pt -80.16 26.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.812 1.245 . . . . 99.99 113.201 -172.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 19.0 m -63.03 -80.77 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.331 0.652 . . . . 99.99 111.173 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -92.18 -12.3 33.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.784 0.833 . . . . 99.99 111.404 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 216' ' ' GLN . . . . . 0.448 ' HB3' ' HA ' ' E' ' 213' ' ' ILE . 0.6 OUTLIER -56.73 -33.52 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.156 1.383 . . . . 99.99 112.098 -174.108 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.1 -34.06 67.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.688 0.795 . . . . 99.99 112.443 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.81 113.38 9.78 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -159.45 177.96 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.195 0.998 . . . . 99.99 110.101 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -130.98 56.04 1.81 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.069 0.948 . . . . 99.99 109.215 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -126.3 1.46 7.06 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.414 1.085 . . . . 99.99 110.816 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -76.25 -74.45 0.23 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.54 0.736 . . . . 99.99 111.441 -169.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.52 85.46 6.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.074 0.94 . . . . 99.99 110.499 -170.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 52.8 t -106.89 160.68 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.753 1.221 . . . . 99.99 107.979 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 39.4 p -56.67 160.62 3.21 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.366 0.667 . . . . 99.99 110.968 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.1 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.252 1.021 . . . . 99.99 113.166 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -122.8 12.57 8.72 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 114.473 -1.24 . . . . 99.99 112.965 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 228' ' ' GLY . . . . . 0.596 ' HA3' ' HA ' ' E' ' 428' ' ' GLU . . . 81.29 76.97 1.03 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.194 -0.762 . . . . 99.99 111.194 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -122.77 -23.9 2.19 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 119.562 -0.576 . . . . 99.99 113.881 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 230' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' E' ' 438' ' ' GLN . . . 63.99 -145.33 0.3 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.633 0.773 . . . . 99.99 110.599 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 231' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' E' ' 440' ' ' ARG . 0.8 OUTLIER 67.86 -81.34 0.03 OUTLIER 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.01 1.324 . . . . 99.99 109.836 -178.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.4 p -80.9 -73.4 0.37 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 41.5 t80 50.11 -87.11 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 125.744 1.617 . . . . 99.99 112.406 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 234' ' ' ALA . . . . . 0.409 ' HA ' HD22 ' E' ' 315' ' ' ASN . . . -153.74 -83.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.031 0.932 . . . . 99.99 108.578 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 41.58 -88.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.46 1.904 . . . . 99.99 113.336 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 26.1 p -138.46 157.11 46.83 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 125.829 1.651 . . . . 99.99 107.278 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.83 -64.4 0.94 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.083 -0.339 . . . . 99.99 110.083 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 94.3 m 64.85 -71.4 0.08 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.354 1.462 . . . . 99.99 111.486 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.61 7.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.219 1.008 . . . . 99.99 109.964 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -170.67 -135.18 1.87 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-N 115.818 -0.628 . . . . 99.99 111.542 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.54 114.46 10.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.518 0.727 . . . . 99.99 110.108 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -74.97 157.17 35.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.461 1.105 . . . . 99.99 111.305 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 73.0 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.504 1.522 . . . . 99.99 112.425 175.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 156.61 -57.34 0.38 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 116.226 -0.443 . . . . 99.99 113.145 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.419 ' HD2' HG23 ' E' ' 246' ' ' THR . 0.0 OUTLIER -72.58 -7.82 52.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.742 1.016 . . . . 99.99 113.742 -169.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 246' ' ' THR . . . . . 0.419 HG23 ' HD2' ' E' ' 245' ' ' LYS . 17.9 p -102.82 -9.16 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.172 0.989 . . . . 99.99 112.261 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.79 -28.31 15.97 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.74 1.385 . . . . 99.99 114.74 -169.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.69 -71.59 0.11 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.548 1.314 . . . . 99.99 114.548 -145.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -95.05 -76.99 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.502 1.501 . . . . 99.99 109.96 170.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.05 -76.87 0.39 Allowed 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.754 -1.943 . . . . 99.99 105.754 159.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 251' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . . . -108.79 -71.1 0.77 Allowed 'General case' 0 C--N 1.351 0.666 0 CA-C-O 121.894 0.854 . . . . 99.99 111.045 149.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -97.58 -16.55 20.0 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 114.025 -1.443 . . . . 99.99 112.739 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -62.59 2.45 0.28 Allowed 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 117.523 2.416 . . . . 99.99 117.523 -152.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -54.7 87.56 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 124.205 1.002 . . . . 99.99 113.602 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 59.97 13.66 27.64 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.933 1.133 . . . . 99.99 115.933 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -75.18 -20.27 59.41 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 117.455 0.628 . . . . 99.99 111.803 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -160.16 -165.59 1.5 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.128 0.971 . . . . 99.99 109.471 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.84 20.79 10.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.728 1.211 . . . . 99.99 112.111 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.17 -12.39 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 C-N-CA 123.29 0.636 . . . . 99.99 110.531 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 30.2 t 82.26 -58.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.14 1.776 . . . . 99.99 113.1 170.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.83 -30.31 71.39 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.598 0.759 . . . . 99.99 112.114 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.33 67.56 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 123.876 0.87 . . . . 99.99 112.23 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.01 -7.12 2.24 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.178 0.991 . . . . 99.99 113.439 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 15.2 t 65.41 27.01 11.92 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.959 1.304 . . . . 99.99 109.78 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -37.74 -54.21 1.23 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.432 1.893 . . . . 99.99 114.741 -162.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 266' ' ' ASN . . . . . 0.623 HD22 ' HA ' ' C' ' 144' ' ' GLN . 45.1 t30 -152.98 101.42 2.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.357 -0.608 . . . . 99.99 109.357 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 36.2 t -119.14 1.31 11.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.708 -1.133 . . . . 99.99 108.989 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 268' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' E' ' 286' ' ' MET . 22.9 m -91.14 6.62 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.534 0.734 . . . . 99.99 111.017 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.1 p 56.81 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.213 1.805 . . . . 99.99 112.948 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' E' ' 273' ' ' GLN . 48.5 mt-10 -122.33 174.0 7.28 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.936 0.494 . . . . 99.99 110.544 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.76 -65.94 0.6 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.155 0.909 . . . . 99.99 111.523 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' E' ' 275' ' ' LYS . 59.8 t30 -99.62 -64.59 1.03 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.539 -0.541 . . . . 99.99 109.539 173.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.642 ' HB2' ' HB2' ' E' ' 270' ' ' GLU . 53.9 tt0 47.89 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 123.955 0.902 . . . . 99.99 113.344 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -127.72 20.62 6.56 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.744 1.218 . . . . 99.99 111.135 -173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' E' ' 272' ' ' ASN . 25.5 mmtp -74.36 128.27 86.23 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 99.99 109.03 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 276' ' ' PRO . . . . . 0.515 ' HG3' ' HB3' ' E' ' 282' ' ' ALA . 93.0 Cg_endo -79.82 157.48 24.31 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.848 2.365 . . . . 99.99 114.56 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 10.2 tt -71.64 119.17 15.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.197 1.399 . . . . 99.99 110.269 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.3 133.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.933 1.293 . . . . 99.99 112.421 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 88.3 -48.41 3.6 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 280' ' ' LEU . . . . . 0.529 HD22 ' HA3' ' C' ' 99' ' ' GLY . 4.5 tp 62.86 -164.8 0.25 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.367 1.467 . . . . 99.99 111.163 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 281' ' ' PHE . . . . . 0.433 ' H ' ' HG ' ' E' ' 280' ' ' LEU . 3.8 m-85 56.73 -97.41 0.07 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.432 1.493 . . . . 99.99 110.127 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 282' ' ' ALA . . . . . 0.515 ' HB3' ' HG3' ' E' ' 276' ' ' PRO . . . 50.68 -155.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.025 1.33 . . . . 99.99 113.812 168.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.61 123.77 25.46 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.115 0.566 . . . . 99.99 109.763 170.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 162.11 -103.64 0.22 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 110.349 -1.1 . . . . 99.99 110.349 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -166.13 93.27 0.52 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.417 0.687 . . . . 99.99 109.395 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 286' ' ' MET . . . . . 0.43 ' HA ' HG12 ' E' ' 268' ' ' VAL . 15.3 tpt -152.29 59.01 2.8 Favored Pre-proline 0 CA--C 1.566 1.582 0 C-N-CA 123.968 0.907 . . . . 99.99 108.791 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 287' ' ' PRO . . . . . 0.486 ' HB2' ' NH1' ' E' ' 289' ' ' ARG . 11.4 Cg_endo -95.52 126.73 0.37 Allowed 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.17 2.58 . . . . 99.99 113.325 -174.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 67.0 t -88.8 137.63 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.114 0.966 . . . . 99.99 111.537 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 289' ' ' ARG . . . . . 0.486 ' NH1' ' HB2' ' E' ' 287' ' ' PRO . 9.8 mpt_? -102.53 168.38 9.32 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.486 1.114 . . . . 99.99 109.962 174.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -82.33 104.01 12.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.755 0.822 . . . . 99.99 110.479 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.53 175.55 45.81 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.13 111.19 1.94 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.931 2.42 . . . . 99.99 111.654 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -74.29 82.38 1.87 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.052 0.941 . . . . 99.99 109.734 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 295' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' E' ' 298' ' ' HIS . . . -133.9 45.27 2.66 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.033 -0.985 . . . . 99.99 110.259 -175.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 8.3 m -69.0 125.17 25.82 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.408 -0.814 . . . . 99.99 109.229 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 15.1 m-30 63.8 35.25 11.3 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.48 1.113 . . . . 99.99 111.104 -175.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 298' ' ' HIS . . . . . 0.473 ' HB2' ' HB1' ' E' ' 295' ' ' ALA . 86.2 t60 -62.59 -33.75 75.61 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.499 0.719 . . . . 99.99 110.615 172.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -126.94 68.74 0.53 Allowed Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.973 -0.851 . . . . 99.99 110.973 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 55.52 -145.99 0.59 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.342 1.057 . . . . 99.99 110.118 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.58 ' HA ' ' HD3' ' C' ' 124' ' ' PRO . 0.2 OUTLIER -107.43 109.97 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 N-CA-C 107.482 -1.303 . . . . 99.99 107.482 158.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 80.51 0.16 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.938 1.295 . . . . 99.99 111.832 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -75.05 -40.29 3.62 Favored Pre-proline 0 CA--C 1.558 1.258 0 CA-C-O 118.512 -0.756 . . . . 99.99 112.224 171.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.96 69.15 3.84 Favored 'Trans proline' 0 C--N 1.392 2.862 0 C-N-CA 122.075 1.85 . . . . 99.99 111.074 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -73.47 163.35 28.17 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.652 -1.158 . . . . 99.99 109.694 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 306' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' B' ' 129' ' ' ALA . 40.7 t -76.6 107.78 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.362 -168.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 307' ' ' THR . . . . . 0.575 HG23 HG21 ' B' ' 40' ' ' VAL . 5.2 t -137.68 168.85 18.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.735 1.214 . . . . 99.99 109.918 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' E' ' 4' ' ' SER . 41.8 t -134.9 60.72 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.223 1.009 . . . . 99.99 108.901 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 27.3 p -122.19 98.02 44.85 Favored Pre-proline 0 CA--C 1.552 1.037 0 CA-C-N 115.441 -0.799 . . . . 99.99 111.121 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.31 170.18 10.8 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.756 2.304 . . . . 99.99 112.194 166.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -169.2 103.06 0.48 Allowed Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.466 0.706 . . . . 99.99 109.848 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.24 84.53 0.57 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.68 2.253 . . . . 99.99 111.16 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.7 -67.68 0.47 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.643 0.777 . . . . 99.99 112.001 -172.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 314' ' ' ARG . . . . . 0.442 ' HE ' ' HG2' ' B' ' 70' ' ' GLU . 8.2 tmm_? -72.44 -31.34 65.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.401 0.68 . . . . 99.99 111.329 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 315' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' E' ' 234' ' ' ALA . 2.6 m-20 -72.29 94.96 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.168 0.587 . . . . 99.99 110.365 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -140.36 -63.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.642 1.177 . . . . 99.99 107.999 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 46.4 m -72.66 121.74 20.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.138 -0.937 . . . . 99.99 111.053 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.42 148.31 41.46 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.309 1.044 . . . . 99.99 109.338 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.82 94.34 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 121.917 1.745 . . . . 99.99 110.224 170.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 14.7 m -80.24 35.16 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.926 1.29 . . . . 99.99 111.545 -171.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 321' ' ' LEU . . . . . 0.458 ' HG ' ' HG2' ' E' ' 330' ' ' GLU . 2.9 mm? 53.71 -95.5 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.571 1.548 . . . . 99.99 110.303 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 49.28 32.11 4.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.442 1.097 . . . . 99.99 112.673 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -38.65 -35.79 0.21 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 127.232 2.213 . . . . 99.99 114.257 -169.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 324' ' ' MET . . . . . 0.611 ' HB2' ' HD2' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -150.59 -31.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.95 0.5 . . . . 99.99 111.226 171.677 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 325' ' ' THR . . . . . 0.459 ' HB ' ' HE3' ' E' ' 199' ' ' LYS . 13.9 t -137.79 150.73 47.46 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.532 0.605 . . . . 99.99 111.864 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . 0.26 3.0 p-10 32.6 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 127.286 2.235 . . . . 99.99 115.372 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -176.22 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.342 0.657 . . . . 99.99 109.6 -167.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -66.84 -2.29 4.96 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.6 pp -60.77 -16.77 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.684 0.794 . . . . 99.99 112.879 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 330' ' ' GLU . . . . . 0.458 ' HG2' ' HG ' ' E' ' 321' ' ' LEU . 0.5 OUTLIER -62.81 -41.16 99.18 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.855 0.862 . . . . 99.99 109.209 174.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.98 -39.91 65.72 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.757 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt 66.69 -76.86 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.154 1.382 . . . . 99.99 109.722 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 16.5 m 68.45 -77.7 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.432 1.493 . . . . 99.99 110.958 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 138.91 37.24 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.042 0.937 . . . . 99.99 109.375 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -113.72 -179.05 3.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.117 0.567 . . . . 99.99 110.2 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -25.02 68.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.874 1.27 . . . . 99.99 111.815 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.483 ' HG2' ' HA2' ' E' ' 208' ' ' GLY . 0.1 OUTLIER -85.5 65.81 9.36 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.564 0.746 . . . . 99.99 109.058 177.622 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.31 -39.49 26.4 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.908 -0.587 . . . . 99.99 112.132 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -65.98 153.81 41.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.989 0.916 . . . . 99.99 109.574 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 340' ' ' PHE . . . . . 0.457 ' O ' ' HE2' ' E' ' 337' ' ' LYS . 63.4 m-85 -60.88 -58.25 9.24 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.641 0.588 . . . . 99.99 110.68 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 28.0 tp 58.99 11.25 1.86 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.356 1.063 . . . . 99.99 112.255 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.68 115.2 9.44 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.368 -0.975 . . . . 99.99 108.368 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.72 128.68 4.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 108.396 -0.964 . . . . 99.99 108.396 172.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.72 141.02 30.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.0 0.52 . . . . 99.99 109.966 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -87.28 -126.03 2.15 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 53.12 -105.91 0.27 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.788 1.235 . . . . 99.99 110.857 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 21.5 m 50.18 39.28 19.28 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.465 1.106 . . . . 99.99 111.26 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.1 142.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 114.905 -1.043 . . . . 99.99 112.444 -168.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -94.14 143.59 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.45 -23.36 64.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.353 0.661 . . . . 99.99 112.261 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 68.23 -75.87 0.06 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.152 1.381 . . . . 99.99 111.027 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.72 -53.97 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.738 0.815 . . . . 99.99 110.081 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.19 -12.48 56.84 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.231 0.826 . . . . 99.99 113.231 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -70.94 87.29 0.73 Allowed 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.255 0.48 . . . . 99.99 109.975 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 177.26 42.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.899 1.68 . . . . 99.99 108.133 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 356' ' ' ASN . . . . . 0.414 ' HA ' ' HD3' ' E' ' 357' ' ' PRO . 56.0 m-20 -74.47 130.9 81.05 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 115.725 -0.67 . . . . 99.99 110.96 -173.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 357' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' E' ' 356' ' ' ASN . 7.6 Cg_exo -73.29 -174.75 1.71 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.262 2.641 . . . . 99.99 111.98 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.7 p -69.21 -51.65 35.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.185 0.594 . . . . 99.99 110.236 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 132.65 122.58 2.35 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.319 -0.712 . . . . 99.99 111.319 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 360' ' ' GLN . . . . . 0.499 ' HG2' HG13 ' E' ' 361' ' ' ILE . 40.9 tt0 61.43 -84.43 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.466 1.506 . . . . 99.99 111.289 -177.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 361' ' ' ILE . . . . . 0.499 HG13 ' HG2' ' E' ' 360' ' ' GLN . 1.6 pp -154.61 12.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.611 1.164 . . . . 99.99 110.399 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 73.73 -104.06 1.55 Allowed Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.068 -0.813 . . . . 99.99 111.068 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 62.06 -74.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.825 1.65 . . . . 99.99 112.666 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.8 m 65.35 36.97 6.56 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.66 1.184 . . . . 99.99 111.451 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.17 138.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.094 0.958 . . . . 99.99 110.072 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -111.66 159.64 18.01 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.702 -0.481 . . . . 99.99 109.702 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.66 -43.17 80.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.667 0.787 . . . . 99.99 110.116 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.443 ' O ' HG12 ' E' ' 371' ' ' VAL . 0.2 OUTLIER -63.82 -32.16 73.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.515 0.726 . . . . 99.99 110.804 -175.42 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -57.74 -22.41 46.5 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.181 1.392 . . . . 99.99 112.598 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 370' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' E' ' 373' ' ' ARG . . . -56.38 -18.83 12.2 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.401 0.889 . . . . 99.99 113.401 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 371' ' ' VAL . . . . . 0.443 HG12 ' O ' ' E' ' 368' ' ' ASP . 14.4 p -71.54 -33.4 49.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 122.588 0.355 . . . . 99.99 110.546 174.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.47 -46.36 73.24 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.195 -0.669 . . . . 99.99 109.195 166.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 373' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' E' ' 370' ' ' ALA . 40.9 ttm-85 -64.57 -21.96 66.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.462 1.105 . . . . 99.99 112.265 -173.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.38 85.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.231 0.613 . . . . 99.99 110.854 171.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.19 -33.6 61.44 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.863 0.865 . . . . 99.99 109.908 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.01 -21.52 60.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.514 0.726 . . . . 99.99 111.454 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.1 -42.35 56.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.81 1.79 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.876 0.735 . . . . 99.99 111.099 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -88.03 -66.52 0.91 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.483 0.313 . . . . 99.99 111.696 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 72.81 -56.98 0.65 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.425 1.49 . . . . 99.99 110.73 -166.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.46 136.27 0.05 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.028 1.331 . . . . 99.99 111.965 169.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 168.94 -87.86 0.09 OUTLIER Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.021 -0.832 . . . . 99.99 111.021 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.48 23.99 4.86 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 108.663 -0.866 . . . . 99.99 108.663 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 9.3 m -83.74 139.44 32.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.129 0.971 . . . . 99.99 109.572 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 53.8 tp 67.93 -77.87 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.937 1.295 . . . . 99.99 112.3 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.2 m -72.87 137.61 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 123.534 0.734 . . . . 99.99 112.179 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.3 109.81 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.961 -1.126 . . . . 99.99 107.961 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.52 119.06 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.323 1.049 . . . . 99.99 109.809 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.0 p -124.86 122.62 37.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.949 -1.13 . . . . 99.99 107.949 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.04 156.5 16.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.87 0.868 . . . . 99.99 110.21 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -138.6 164.77 28.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.778 1.231 . . . . 99.99 108.687 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 392' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' E' ' 393' ' ' ALA . 67.4 m80 113.88 -167.17 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 128.026 2.53 . . . . 99.99 110.748 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 393' ' ' ALA . . . . . 0.414 ' H ' ' HB3' ' E' ' 392' ' ' HIS . . . -54.19 126.84 24.48 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.227 1.011 . . . . 99.99 112.656 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -96.06 -43.77 7.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.919 0.888 . . . . 99.99 111.028 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -120.35 -48.58 2.3 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.326 0.65 . . . . 99.99 110.874 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 20.2 m -87.6 71.58 9.7 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.224 0.61 . . . . 99.99 110.65 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.79 84.06 5.64 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.124 0.57 . . . . 99.99 109.84 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 4.1 mp 39.11 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.876 1.67 . . . . 99.99 112.435 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 9.7 m -112.44 -50.85 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.947 0.499 . . . . 99.99 110.84 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 39.74 72.73 0.94 Allowed Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 125.142 1.377 . . . . 99.99 111.742 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.38 126.38 19.14 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 121.9 1.733 . . . . 99.99 111.849 -173.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -68.99 -33.09 73.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.723 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.2 m 61.64 20.64 11.48 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.019 1.328 . . . . 99.99 110.792 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.92 110.19 20.88 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.44 -0.948 . . . . 99.99 108.44 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -83.94 116.63 65.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 123.912 0.885 . . . . 99.99 110.297 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.26 88.96 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.187 1.925 . . . . 99.99 110.381 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -174.37 -110.88 0.26 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-O 118.909 -0.939 . . . . 99.99 110.899 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.81 30.46 20.02 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.893 0.877 . . . . 99.99 110.54 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 409' ' ' THR . . . . . 0.406 HG22 HD13 ' E' ' 412' ' ' LEU . 3.7 m -131.86 47.74 2.49 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.177 0.991 . . . . 99.99 108.933 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.69 -49.98 34.63 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 114.869 -1.06 . . . . 99.99 110.071 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -88.42 100.51 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.552 -0.907 . . . . 99.99 108.552 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 412' ' ' LEU . . . . . 0.406 HD13 HG22 ' E' ' 409' ' ' THR . 3.8 mm? -66.98 -27.58 67.57 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.609 0.763 . . . . 99.99 111.03 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 76.97 -43.33 0.44 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.839 1.656 . . . . 99.99 112.097 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 98.79 0.09 Allowed 'General case' 0 C--N 1.348 0.523 0 C-N-CA 123.623 0.769 . . . . 99.99 109.039 170.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -64.89 135.46 55.74 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.297 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.08 -40.71 86.05 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.278 0.986 . . . . 99.99 109.497 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 64.73 76.18 0.32 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 114.464 -1.244 . . . . 99.99 112.331 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.17 42.15 0.92 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.182 0.593 . . . . 99.99 110.841 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 9.9 t -87.88 58.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 124.406 1.082 . . . . 99.99 108.36 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 420' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' E' ' 423' ' ' SER . 3.4 mpp? 59.44 7.56 1.0 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.102 1.761 . . . . 99.99 114.939 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.05 -35.28 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 118.53 0.604 . . . . 99.99 111.351 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -137.69 8.8 2.84 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.481 0.712 . . . . 99.99 110.576 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 423' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' E' ' 420' ' ' MET . 28.7 t -130.58 117.51 19.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 -177.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.49 22.21 7.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.979 0.912 . . . . 99.99 108.76 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 78.45 90.53 0.37 Allowed Glycine 0 C--N 1.348 1.223 0 N-CA-C 108.607 -1.797 . . . . 99.99 108.607 -159.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -68.58 0.28 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.914 0.886 . . . . 99.99 111.742 -167.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 7.1 p -179.75 -64.97 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.931 0.492 . . . . 99.99 111.653 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 428' ' ' GLU . . . . . 0.596 ' HA ' ' HA3' ' E' ' 228' ' ' GLY . 41.3 mt-10 79.41 -51.84 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.663 1.585 . . . . 99.99 112.694 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 6.46 6.13 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.055 1.131 . . . . 99.99 114.055 -171.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.22 -66.68 0.37 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.647 1.179 . . . . 99.99 113.39 -160.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.1 m -92.79 -64.3 1.12 Allowed 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.527 0.517 . . . . 99.99 110.905 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 432' ' ' GLN . . . . . 0.621 ' HG3' ' HA2' ' E' ' 436' ' ' GLY . 15.5 mm-40 -94.86 -67.4 0.86 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -167.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.27 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 120.994 0.426 . . . . 99.99 110.747 -165.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -101.29 -43.03 6.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.548 0.739 . . . . 99.99 109.534 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 26.5 m -157.82 -70.89 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.3 1.44 . . . . 99.99 107.207 170.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 436' ' ' GLY . . . . . 0.621 ' HA2' ' HG3' ' E' ' 432' ' ' GLN . . . 159.68 98.45 0.14 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.757 -1.11 . . . . 99.99 110.878 -174.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 19.3 m 75.28 -36.71 0.31 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.627 1.571 . . . . 99.99 112.452 -177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 438' ' ' GLN . . . . . 0.421 ' HA ' ' HB1' ' E' ' 230' ' ' ALA . 2.6 mp0 65.32 15.87 10.24 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.137 1.375 . . . . 99.99 111.915 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.46 -177.77 4.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.92 0.888 . . . . 99.99 111.166 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' E' ' 231' ' ' LYS . 0.0 OUTLIER -136.69 151.36 49.18 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.499 1.12 . . . . 99.99 109.437 178.423 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 64.5 mt -112.74 150.52 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 124.425 1.09 . . . . 99.99 110.365 -172.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 76.56 -64.08 0.35 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.761 1.624 . . . . 99.99 112.932 168.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.78 97.45 0.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.532 0.733 . . . . 99.99 111.352 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -99.33 -50.14 4.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.57 0.748 . . . . 99.99 109.849 176.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 150.57 151.57 5.58 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.421 -0.655 . . . . 99.99 112.626 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.29 154.63 14.31 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.617 2.211 . . . . 99.99 111.612 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -99.82 -46.26 5.45 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.793 0.437 . . . . 99.99 110.529 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 66.05 114.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.061 1.344 . . . . 99.99 113.246 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 449' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 153' ' ' GLN . . . -112.69 95.43 5.42 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.863 0.865 . . . . 99.99 109.97 175.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -95.73 -89.33 0.25 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.622 0.769 . . . . 99.99 109.807 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.85 152.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.13 -1.433 . . . . 99.99 107.13 168.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 47.6 t 73.2 97.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.76 1.224 . . . . 99.99 110.572 -173.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -118.45 99.97 0.82 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.535 -1.026 . . . . 99.99 110.535 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.79 154.09 21.83 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.389 0.595 . . . . 99.99 111.168 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 97.5 m -142.87 139.27 30.77 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -157.15 -165.55 1.85 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.194 0.598 . . . . 99.99 110.742 -170.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -92.24 -52.44 4.68 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.02 . . . . 99.99 110.875 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 92.1 m -149.02 -59.52 0.22 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.762 0.825 . . . . 99.99 109.226 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 459' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.3 m-20 -112.37 -57.42 2.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.908 -1.145 . . . . 99.99 107.908 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 45' ' ' ASP . 1.9 tm? -149.83 144.79 26.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.776 -1.564 . . . . 99.99 106.776 172.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 461' ' ' PHE . . . . . 0.403 ' HZ ' ' CD2' ' A' ' 137' ' ' PHE . 25.5 p90 -63.66 85.38 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.043 0.937 . . . . 99.99 109.291 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -144.29 152.6 41.0 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.706 -0.621 . . . . 99.99 110.618 -170.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 3.4 t -161.17 -47.69 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.785 -1.098 . . . . 99.99 109.234 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 42' ' ' LEU . 25.2 ttt 55.35 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.421 1.488 . . . . 99.99 111.613 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -151.11 146.49 26.19 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.226 1.01 . . . . 99.99 108.643 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.46 59.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.544 1.137 . . . . 99.99 112.419 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -160.19 167.16 28.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.045 0.938 . . . . 99.99 110.48 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.526 ' HB2' HG23 ' A' ' 40' ' ' VAL . 25.9 mt -78.54 -44.34 24.54 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.711 -0.677 . . . . 99.99 109.219 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 146.9 -90.61 0.15 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 115.838 -0.619 . . . . 99.99 113.31 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 60.8 mt 61.35 34.86 18.2 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.56 1.144 . . . . 99.99 110.314 -167.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.485 1.114 . . . . 99.99 108.621 -179.028 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -145.9 6.35 1.04 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.801 0.84 . . . . 99.99 109.899 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.552 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 8.5 mp0 -98.28 41.86 1.12 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.743 1.217 . . . . 99.99 108.422 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -88.47 53.67 2.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.669 0.788 . . . . 99.99 109.976 -171.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 53.07 -97.65 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.385 1.474 . . . . 99.99 112.618 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t30 55.51 103.09 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.287 1.435 . . . . 99.99 111.721 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 p -88.33 -136.12 0.1 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.652 0.781 . . . . 99.99 110.154 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 73.71 39.46 0.55 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.703 1.201 . . . . 99.99 111.217 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.45 152.62 44.76 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.352 -0.84 . . . . 99.99 110.719 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 64.8 m -144.49 110.95 5.59 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.426 -1.324 . . . . 99.99 107.426 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.652 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.7 t80 -137.8 136.25 37.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.95 0.5 . . . . 99.99 110.307 -172.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -150.02 130.04 13.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.381 1.073 . . . . 99.99 108.325 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 87.02 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 27.8 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 12.57 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 37.56 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 5.43 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 6.92 109.755 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 5.61 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 12.68 108.724 177.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 32.78 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 32.1 m80 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HD3' HD11 ' A' ' 68' ' ' LEU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 57.34 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG21 HD23 ' E' ' 468' ' ' LEU . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 48.36 109.424 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD11 ' O ' ' E' ' 464' ' ' MET . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 97.85 109.031 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD22 HD22 ' E' ' 460' ' ' LEU . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' ' 60' ' ' LEU . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 43.33 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 41.53 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 88.8 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 73.87 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.575 ' HB3' ' H ' ' E' ' 449' ' ' ALA . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.04 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 54.22 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 29.36 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 19.86 107.554 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 13.6 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 17.22 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 14.92 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 21.43 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 23.61 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 57.75 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD11 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 93.1 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 30.12 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 22.88 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 30.01 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 14.44 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 9.47 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 20.02 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 66.87 108.512 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.652 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -79.03 92.0 4.93 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.06 145.13 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.56 0.744 . . . . 99.99 110.624 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -167.52 161.25 13.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.122 0.969 . . . . 99.99 109.772 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.55 9.67 86.71 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 123.472 0.483 . . . . 99.99 114.166 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.52 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -111.74 135.66 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.03 0.532 . . . . 99.99 109.658 -175.636 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 12.6 pt-20 -156.42 170.98 21.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.332 0.653 . . . . 99.99 109.928 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.51 -117.12 9.16 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.49 0.493 . . . . 99.99 112.897 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.552 ' HB ' ' HG3' ' A' ' 3' ' ' GLU . 8.7 t -74.6 -34.23 62.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.301 1.04 . . . . 99.99 111.461 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -69.78 -32.92 71.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.569 0.747 . . . . 99.99 110.372 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.493 ' HB2' ' HA ' ' A' ' 90' ' ' GLU . 20.4 ttt -61.15 -47.73 84.86 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.941 0.897 . . . . 99.99 109.888 172.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' E' ' 455' ' ' THR . . . -63.17 -30.04 71.26 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.01 -0.995 . . . . 99.99 112.166 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.39 -59.34 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.43 0.692 . . . . 99.99 110.377 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 33.9 t -57.56 -46.88 83.4 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.744 0.646 . . . . 99.99 112.744 -166.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.6 -24.22 24.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 95.56 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 94.48 114.066 -174.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 73.2 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 48.9 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 94.19 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 55.88 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.406 HD21 ' HA3' ' A' ' 82' ' ' GLY . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 21.71 111.668 174.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 15.39 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 9.95 114.134 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 20.66 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 7.34 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 15.45 110.72 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 4.41 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 7.34 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 7.28 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 4.96 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 48.88 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 26.6 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 17.97 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.708 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 8.38 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 122' ' ' THR . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 121' ' ' GLY . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 20.1 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 13.71 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 20.05 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 56.76 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.598 ' HB3' ' SD ' ' E' ' 464' ' ' MET . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 62.97 109.857 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 56.46 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 77.42 113.621 -168.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.68 109.11 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.12 107.97 19.2 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.92 -51.02 70.77 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.77 0.669 . . . . 99.99 110.254 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.61 -40.45 56.4 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.673 -170.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.68 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.133 0.424 . . . . 99.99 111.237 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -44.58 9.05 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.087 1.355 . . . . 99.99 112.239 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -87.55 -41.19 13.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.62 0.768 . . . . 99.99 111.896 -169.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.61 ' SD ' HD13 ' A' ' 141' ' ' LEU . 93.1 mmm -58.21 -22.67 52.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.643 0.608 . . . . 99.99 112.643 -173.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -62.54 -46.37 88.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.55 0.69 . . . . 99.99 110.21 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.99 -31.44 66.25 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.388 -1.278 . . . . 99.99 111.272 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.61 HD13 ' SD ' ' A' ' 138' ' ' MET . 10.1 tt -63.58 -52.48 60.81 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 118.72 -0.657 . . . . 99.99 109.794 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 178.84 -19.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.81 1.041 . . . . 99.99 113.81 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.58 125.07 35.08 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.273 0.942 . . . . 99.99 111.072 -170.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.58 88.59 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.764 1.625 . . . . 99.99 107.952 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.98 -61.8 0.09 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.616 0.767 . . . . 99.99 110.476 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.23 -96.65 2.02 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.25 142.45 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.331 1.452 . . . . 99.99 112.703 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.64 -85.18 0.14 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.284 -0.871 . . . . 99.99 111.905 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 10.6 m -62.39 -26.1 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.424 1.09 . . . . 99.99 112.844 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.88 -34.05 71.2 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.856 0.863 . . . . 99.99 112.18 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -124.48 -44.9 1.96 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.368 0.667 . . . . 99.99 110.366 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.7 t60 70.18 38.37 1.49 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.052 1.341 . . . . 99.99 109.887 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.09 94.21 0.33 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.147 -0.933 . . . . 99.99 110.243 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 67.07 -70.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.353 1.461 . . . . 99.99 110.262 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 C-N-CA 124.682 1.193 . . . . 99.99 110.894 174.258 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 109.859 -0.422 . . . . 99.99 109.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -86.57 -83.79 0.18 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.181 0.592 . . . . 99.99 109.467 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.95 119.6 19.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.886 0.874 . . . . 99.99 109.276 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -150.9 139.29 20.4 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.268 -1.753 . . . . 99.99 106.268 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 68.17 -175.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.036 0.934 . . . . 99.99 109.593 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 42.4 t30 63.5 99.35 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.522 1.129 . . . . 99.99 113.454 167.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p 51.0 -76.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.513 1.925 . . . . 99.99 115.16 167.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.2 -33.63 74.92 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.982 0.913 . . . . 99.99 111.26 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.553 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 26.4 ptm 48.04 -150.02 0.15 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.539 1.536 . . . . 99.99 111.998 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -134.97 131.89 37.72 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.952 -0.758 . . . . 99.99 108.952 167.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -143.91 137.06 27.57 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.916 0.486 . . . . 93.55 109.716 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.542 ' HG2' ' HB3' ' E' ' 64' ' ' ALA . 7.6 tp-100 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 40.88 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 85.25 110.969 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.426 ' NE ' HG21 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 95.33 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 13.6 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.452 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 23.1 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 6.51 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 19.94 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 5.14 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 19.25 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 9.84 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 18.09 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 19.8 m120 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 49.39 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 10.1 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 98.87 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 72.1 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 96.73 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 67.27 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.601 HG21 ' HA ' ' E' ' 15' ' ' PHE . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 66.97 109.759 -168.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 35.64 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 74.75 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 43.74 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 89.61 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 29' ' ' PRO . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 85.91 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 76.71 107.394 170.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.442 ' CD1' ' HB ' ' E' ' 18' ' ' VAL . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 98.07 108.493 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 57.34 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.441 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 21.57 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 95.32 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 14.84 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 28.15 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 18.14 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 24.35 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 26.44 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 56.64 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 62.67 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 81.37 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 33.32 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 25.99 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 18.76 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 16.93 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 12.76 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 8.91 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 12.8 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 33.15 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 11.78 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 39.34 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 63.88 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 82.93 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 98.2 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.553 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 71.23 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 59.87 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 71.19 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 50.37 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 36.29 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 87.59 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 37.19 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 13.07 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 10.37 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 12.29 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 8.75 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 59.14 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.708 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.512 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 13.3 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' B' ' 76' ' ' CYS . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 9.86 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 13.13 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.02 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 26.78 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 13.3 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' SER . . . . . 0.47 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 29.79 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.466 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 23.15 112.175 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 23.84 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 29.89 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 72.13 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 73.04 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.752 ' HA ' HD11 ' E' ' 6' ' ' ILE . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 90.81 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 43.15 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 61.27 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.57 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.28 77.95 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' PHE . . . . . 0.451 ' HZ ' ' H ' ' E' ' 11' ' ' LEU . 23.5 t80 -81.06 -35.45 31.75 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.972 -1.013 . . . . 99.99 111.497 -166.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.97 -43.4 91.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.698 -0.683 . . . . 99.99 110.477 170.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.55 73.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.655 0.782 . . . . 99.99 111.686 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.63 -51.61 66.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.532 0.733 . . . . 99.99 109.405 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.12 -28.85 69.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 99.99 111.674 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.59 -29.44 41.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.795 0.438 . . . . 99.99 110.515 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.79 -19.4 60.22 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.367 0.667 . . . . 99.99 110.312 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.91 -42.48 14.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.066 0.46 . . . . 99.99 109.95 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 69.2 mt -91.54 23.68 3.38 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 99.99 110.175 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -78.01 160.0 28.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.545 1.138 . . . . 99.99 110.838 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 67.03 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.296 1.438 . . . . 99.99 110.961 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -89.74 78.43 6.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.372 0.606 . . . . 99.99 110.14 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.53 -81.93 0.01 OUTLIER 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.047 1.339 . . . . 99.99 108.099 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.88 -101.37 0.05 OUTLIER Glycine 0 C--N 1.353 1.509 0 O-C-N 123.922 0.764 . . . . 99.99 113.632 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -159.46 137.79 10.52 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 94.35 -145.62 17.77 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.89 -0.394 . . . . 99.99 113.217 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 47.3 m 78.35 -50.23 0.48 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.972 1.709 . . . . 99.99 111.556 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 58.96 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.06 1.344 . . . . 99.99 110.324 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.0 171.47 12.5 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.727 1.211 . . . . 99.99 109.325 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -72.39 -63.4 1.16 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.214 -0.661 . . . . 99.99 109.214 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -142.5 -76.22 0.27 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 106.066 -1.828 . . . . 99.99 106.066 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.07 4.42 1.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.284 1.434 . . . . 99.99 114.76 166.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 C-N-CA 123.965 0.906 . . . . 99.99 109.965 -175.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 109.717 -0.475 . . . . 99.99 109.717 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 76.15 -70.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.822 1.649 . . . . 99.99 111.476 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 59.8 -85.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.235 1.014 . . . . 99.99 111.769 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -167.21 159.92 13.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.893 0.877 . . . . 99.99 108.903 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ASN . . . . . 0.622 ' HB3' ' HB3' ' C' ' 8' ' ' GLU . 56.3 m-20 70.71 -83.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.92 1.288 . . . . 99.99 110.65 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 67.6 -64.06 0.28 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.717 1.607 . . . . 99.99 112.025 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -82.44 47.54 1.17 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.923 1.289 . . . . 99.99 110.807 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.743 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 12.1 tp10 -156.46 148.58 23.18 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.711 0.805 . . . . 99.99 108.905 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.743 ' SD ' ' HG3' ' C' ' 8' ' ' GLU . 1.9 mpt? 64.91 114.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.869 1.668 . . . . 99.99 110.881 -167.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 29.8 m -108.12 97.69 7.35 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.871 -0.789 . . . . 99.99 108.871 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 -121.92 134.81 54.85 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.833 0.853 . . . . 99.99 110.276 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 56.3 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 93.16 110.695 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 11.74 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 6.91 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 21.95 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ASP . . . . . 0.646 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 5.12 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 9.28 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 8.82 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 12.04 108.385 167.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 30.41 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 48.75 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 55.24 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.432 ' HZ ' ' HA ' ' E' ' 308' ' ' CYS . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 88.6 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' TRP . . . . . 0.425 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 68.93 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 ' HB ' ' E' ' 296' ' ' THR . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 87.15 108.749 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.655 ' HB3' ' HB ' ' E' ' 288' ' ' VAL . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 94.05 106.178 170.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.621 HD21 HD12 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 71.87 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 62.96 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 35.73 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 56.22 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 43.42 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.703 HD11 HD12 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 94.06 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 81.86 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' VAL . . . . . 0.799 HG22 ' HB2' ' E' ' 145' ' ' ASP . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 29.6 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' VAL . . . . . 0.448 HG22 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 20.9 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.621 HD12 HD21 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 69.19 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 14.53 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.42 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 17.7 108.292 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 29.53 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 32.22 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 59.66 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 97.29 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 76.35 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 37.0 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 34.06 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 39.96 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' LEU . . . . . 0.448 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 16.54 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' CYS . . . . . 0.448 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 9.25 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 25.23 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 10.6 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ILE . . . . . 0.703 HD12 HD11 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 30.38 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 86' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt -115.57 121.99 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -158.71 146.62 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.319 1.048 . . . . 99.99 109.366 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 104.65 96.9 2.44 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.877 -0.489 . . . . 99.99 111.877 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 89' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 12.3 tt -66.57 119.57 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.817 0.847 . . . . 99.99 111.244 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -100.1 -3.68 31.38 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.236 0.614 . . . . 99.99 110.673 176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.92 -116.55 4.63 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.012 0.339 . . . . 99.99 113.203 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 63.0 p -71.69 -30.16 65.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.836 0.454 . . . . 99.99 110.805 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.96 -55.91 29.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.067 0.947 . . . . 99.99 110.48 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 21.3 ptm -66.3 -25.01 66.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.423 0.452 . . . . 99.99 112.091 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.45 -51.95 63.51 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.173 0.589 . . . . 99.99 110.886 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -82.33 -16.97 47.37 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.461 -0.336 . . . . 99.99 110.975 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m -66.08 -32.77 74.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.37 0.268 . . . . 99.99 110.611 170.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 98' ' ' LEU . . . . . 0.686 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 68.51 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 56.52 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 102' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 56.59 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 103' ' ' PRO . . . . . 0.422 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 39.21 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 8.71 109.721 169.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' LEU . . . . . 0.498 HD12 HD23 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 37.06 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 16.74 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 9.85 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 5.88 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 7.64 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' ARG . . . . . 0.423 ' HE ' HD21 ' C' ' 127' ' ' ASN . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 20.64 110.54 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.431 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 13.9 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 8.58 110.443 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' THR . . . . . 0.47 HG21 ' HB3' ' B' ' 119' ' ' SER . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 8.54 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 116' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 6.56 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' MET . . . . . 0.569 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 5.22 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 28.53 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 17.6 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 15.17 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 24.81 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' PRO . . . . . 0.658 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 29.42 117.244 -177.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' B' ' 125' ' ' GLN . 0.3 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 126' ' ' LEU . . . . . 0.411 HD11 ' CH2' ' E' ' 290' ' ' TRP . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 59.85 110.443 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ASN . . . . . 0.423 HD21 ' HE ' ' C' ' 111' ' ' ARG . 10.5 m120 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 41.85 109.852 173.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 38.57 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 24.62 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 24.48 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 68.05 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -58.18 -41.35 83.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.64 -33.77 76.35 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.378 0.424 . . . . 99.99 111.515 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.79 80.13 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.139 0.576 . . . . 99.99 110.895 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.31 -38.32 89.83 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.783 -0.644 . . . . 99.99 111.147 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -68.13 -36.53 79.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.968 0.907 . . . . 99.99 110.534 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -64.63 -42.91 95.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.133 0.973 . . . . 99.99 110.063 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.46 -37.42 77.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.703 -1.135 . . . . 99.99 111.219 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.63 -83.12 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.581 1.153 . . . . 99.99 110.333 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 49.6 tp 73.16 -62.78 0.46 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.389 1.476 . . . . 99.99 111.394 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.43 80.89 0.06 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.423 1.089 . . . . 99.99 111.59 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.27 -40.87 62.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.587 1.555 . . . . 99.99 111.677 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' C' ' 147' ' ' GLU . 22.8 mp0 -77.55 13.65 1.21 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.096 -0.956 . . . . 99.99 112.098 -170.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 68.55 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.061 1.344 . . . . 99.99 110.671 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.43 -65.57 1.62 Allowed Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.43 -0.668 . . . . 99.99 111.43 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 147' ' ' GLU . . . . . 0.46 ' HB2' ' HB2' ' C' ' 144' ' ' GLN . 0.9 OUTLIER 70.73 -75.2 0.08 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.518 1.527 . . . . 99.99 110.652 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.85 11.1 0.84 Allowed Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.871 -0.891 . . . . 99.99 110.871 -169.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.3 t -77.46 -149.36 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.48 1.112 . . . . 99.99 109.917 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 62.96 -94.71 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 108.245 -1.021 . . . . 99.99 108.245 -174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 151' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' C' ' 153' ' ' GLN . 21.9 tt0 44.64 -73.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 126.907 2.083 . . . . 99.99 115.14 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 75.0 m80 78.7 6.59 2.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 126.186 1.795 . . . . 99.99 112.219 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 153' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 8.8 tp-100 68.07 -67.03 0.2 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.91 1.284 . . . . 99.99 111.866 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 24.1 t70 74.77 136.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.103 1.361 . . . . 99.99 111.245 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.756 0.822 . . . . 99.99 110.949 -178.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' D' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.468 -0.567 . . . . 99.99 109.468 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -73.07 84.53 1.3 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.73 0.812 . . . . 99.99 109.817 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -117.11 -55.04 2.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.405 1.082 . . . . 99.99 109.286 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -82.52 156.64 23.91 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.575 -0.898 . . . . 99.99 108.575 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.39 27.85 0.9 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.199 0.6 . . . . 99.99 110.715 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -149.97 122.56 8.57 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 125.662 1.585 . . . . 99.99 106.809 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.456 HG21 ' H ' ' E' ' 88' ' ' GLU . 6.9 m -62.68 -59.21 5.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 99.99 110.616 -174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.589 ' HG2' ' H ' ' D' ' 9' ' ' MET . 28.9 tt0 172.79 -148.06 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 105.721 -1.955 . . . . 99.99 105.721 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 9' ' ' MET . . . . . 0.589 ' H ' ' HG2' ' D' ' 8' ' ' GLU . 23.6 ttt -30.52 134.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.066 1.346 . . . . 99.99 113.023 159.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t -105.34 157.83 17.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 76.43 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.434 HD13 HG21 ' D' ' 105' ' ' ILE . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 79.46 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 53.22 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' TYR . . . . . 0.401 ' HB3' HG23 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 19.87 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 8.43 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 36.9 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.569 HD13 ' HE3' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 4.02 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 7.64 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 5.08 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 7.19 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 13.41 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' ALA . . . . . 0.84 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 12.01 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' PRO . . . . . 0.532 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 20.55 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 22.26 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 34.6 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 31.63 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 49.29 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 31.29 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 52.79 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.4 HD11 HG13 ' D' ' 62' ' ' VAL . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 74.77 109.787 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 66.01 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 77.52 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 38.8 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 48.36 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 52.73 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.71 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 82.32 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 96.95 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' E' ' 313' ' ' GLN . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.466 ' HA ' HD11 ' E' ' 100' ' ' LEU . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 55' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 82.8 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 58' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 44.56 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 59' ' ' VAL . . . . . 0.495 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 19.48 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 52.2 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 62' ' ' VAL . . . . . 0.4 HG13 HD11 ' D' ' 42' ' ' LEU . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 9.25 107.216 162.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 10.79 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 64' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 9.72 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 65' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 19.36 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 66' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 11.33 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.491 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 29.87 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 24.97 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 27.84 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 11.35 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 73' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 10.67 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 7.73 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 11.05 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 76' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 5.05 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 21.68 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 80' ' ' GLN . . . . . 0.422 ' O ' HD13 ' D' ' 106' ' ' LEU . 61.9 tp60 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.29 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 43.57 108.755 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 85' ' ' SER . . . . . 0.461 ' HB3' HG22 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 77.58 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.457 HG13 HD11 ' E' ' 97' ' ' ILE . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 88.57 109.431 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 89' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 94' ' ' MET . . . . . 0.675 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 88.9 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 95.17 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 66.02 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 54.11 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 40.76 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 34.31 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 28.69 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 61.29 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 105' ' ' ILE . . . . . 0.434 HG21 HD13 ' D' ' 13' ' ' ILE . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 19.65 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.422 HD13 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 13.09 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 10.47 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 108' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 6.22 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 10.48 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 4.16 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 111' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 10.22 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.39 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 114' ' ' ILE . . . . . 0.717 HG23 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 5.37 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 7.06 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 6.71 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 117' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 5.08 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 5.65 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 10.21 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 6.99 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 122' ' ' THR . . . . . 0.52 HG23 ' HE1' ' E' ' 131' ' ' TRP . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 18.26 111.252 173.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 20.06 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 16.85 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 14.84 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 76.73 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.476 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 20.32 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' E' ' 124' ' ' SER . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 28.37 111.445 -176.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 130' ' ' PRO . . . . . 0.449 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 32.68 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 69.78 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -40.94 63.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.25 67.68 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.055 -0.975 . . . . 99.99 111.559 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.42 -25.28 50.59 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.279 0.632 . . . . 99.99 110.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -71.76 -33.24 68.48 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.433 -0.348 . . . . 99.99 110.12 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 35.0 mtt -67.63 -32.91 73.94 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.295 0.638 . . . . 99.99 110.324 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -65.19 -28.01 69.09 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.973 0.909 . . . . 99.99 111.66 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 140' ' ' TYR . . . . . 0.528 ' HD1' ' HA ' ' E' ' 115' ' ' THR . 69.8 t80 -84.44 -47.33 10.76 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.588 -0.523 . . . . 99.99 109.588 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -49.77 -27.04 4.42 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 126.211 1.805 . . . . 99.99 113.741 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -73.81 49.12 0.31 Allowed 'General case' 0 CA--C 1.57 1.713 0 C-N-CA 124.314 1.046 . . . . 99.99 112.665 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.9 92.67 4.02 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.235 1.017 . . . . 99.99 110.06 -173.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -139.13 -96.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 118.587 -0.72 . . . . 99.99 110.73 -168.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 53.35 62.33 2.7 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.535 0.683 . . . . 99.99 110.042 -169.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.47 -124.52 8.03 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 114.944 -1.025 . . . . 99.99 110.773 -169.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 60.08 24.05 13.29 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.175 1.39 . . . . 99.99 113.071 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.45 -60.12 4.86 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.741 -0.209 . . . . 99.99 112.761 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 8.2 m -58.91 -33.4 70.5 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.562 1.145 . . . . 99.99 112.455 -174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -109.55 -18.72 13.44 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.401 0.68 . . . . 99.99 111.122 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 151' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' D' ' 153' ' ' GLN . 9.9 tp10 -60.08 -53.17 60.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.23 0.612 . . . . 99.99 110.239 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 33.1 m80 55.37 37.26 28.64 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.068 0.947 . . . . 99.99 110.765 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 153' ' ' GLN . . . . . 0.471 ' HB2' ' HG3' ' D' ' 151' ' ' GLU . 27.8 tt0 -60.34 -47.17 87.2 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.604 0.761 . . . . 99.99 111.809 -168.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -112.06 -42.68 3.7 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 99.99 108.774 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.756 -1.111 . . . . 99.99 108.511 -175.172 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' E' ' 10' ' ' LEU . 17.9 tpt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 110.428 -0.212 . . . . 99.99 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 59.5 mttp 63.87 69.56 0.54 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.571 1.148 . . . . 99.99 110.838 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.75 82.02 1.15 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.259 -0.882 . . . . 99.99 110.31 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' SER . . . . . 0.41 ' HB3' HG22 ' E' ' 6' ' ' ILE . 33.8 t -95.59 162.33 13.67 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.521 -0.763 . . . . 99.99 109.242 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -83.27 63.36 7.18 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 122.277 1.037 . . . . 99.99 109.253 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' ILE . . . . . 0.752 HD11 ' HA ' ' B' ' 128' ' ' LEU . 11.2 tp -153.53 156.61 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.858 1.263 . . . . 99.99 108.39 -173.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 7' ' ' ALA . . . . . 0.612 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -92.63 29.64 1.71 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -148.14 104.66 3.56 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.84 -1.17 . . . . 99.99 107.84 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' ALA . . . . . 0.426 ' HB3' HD11 ' B' ' 42' ' ' LEU . . . -132.49 -66.36 0.69 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.686 0.794 . . . . 99.99 109.13 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 10' ' ' LEU . . . . . 0.605 ' HB3' ' SD ' ' E' ' 1' ' ' MET . 36.2 tp -156.77 136.49 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.886 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 11' ' ' LEU . . . . . 0.451 ' H ' ' HZ ' ' B' ' 133' ' ' PHE . 18.2 tp -74.42 156.42 87.15 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.153 1.381 . . . . 99.99 108.867 173.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -47.25 -3.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.276 2.651 . . . . 99.99 116.739 162.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 28.3 tp 77.6 5.02 3.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 125.12 1.368 . . . . 99.99 110.737 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.35 126.92 25.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 106.334 -1.728 . . . . 99.99 106.334 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 15' ' ' PHE . . . . . 0.601 ' HA ' HG21 ' B' ' 46' ' ' THR . 26.6 t80 -116.3 154.25 30.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 43.5 m -54.96 112.72 4.39 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.777 0.831 . . . . 99.99 110.752 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.21 133.03 31.49 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.795 2.33 . . . . 99.99 112.553 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' B' ' 56' ' ' TYR . 3.5 m -59.11 -30.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 123.581 0.551 . . . . 99.99 111.46 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -127.01 -76.5 0.58 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.365 0.666 . . . . 99.99 109.398 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -166.44 140.1 4.06 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.308 0.643 . . . . 99.99 110.5 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 -0.42 9.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.38 1.072 . . . . 99.99 111.522 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -103.65 174.17 5.99 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.961 0.904 . . . . 99.99 110.574 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -72.2 136.27 81.87 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 110.083 -0.34 . . . . 99.99 110.083 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.29 145.99 97.82 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.799 2.332 . . . . 99.99 111.41 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.59 -43.46 98.75 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.738 0.815 . . . . 99.99 110.678 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtm 57.59 74.62 0.63 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.843 1.257 . . . . 99.99 110.298 -175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.57 -34.15 96.8 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.218 2.612 . . . . 99.99 113.43 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 14.6 t 58.77 32.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 122.913 1.34 . . . . 99.99 109.612 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 tp -110.84 110.79 21.56 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.776 -1.102 . . . . 99.99 108.41 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 74.13 -71.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.265 1.426 . . . . 99.99 111.149 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.75 66.38 1.14 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.54 1.136 . . . . 99.99 110.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -75.11 131.51 40.57 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.572 -0.74 . . . . 99.99 112.257 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 103.44 1.81 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.501 0.721 . . . . 99.99 109.674 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.23 101.72 3.02 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.428 0.691 . . . . 99.99 110.017 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -115.77 176.94 4.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.34 1.056 . . . . 99.99 109.923 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 111.961 -0.455 . . . . 99.99 111.961 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.74 100.61 8.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 99.99 109.316 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 pt -123.65 12.15 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.132 0.973 . . . . 99.99 111.742 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m 66.85 87.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.489 1.116 . . . . 99.99 110.382 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.06 116.43 13.37 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.0 103.68 0.13 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 123.191 2.594 . . . . 99.99 112.579 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.53 -8.75 63.96 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 115.846 -0.615 . . . . 99.99 113.368 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 43' ' ' GLY . . . . . 0.674 ' HA3' HD22 ' E' ' 47' ' ' LEU . . . 89.05 -47.56 3.37 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.039 0.352 . . . . 99.99 112.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 75.66 150.58 0.11 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.915 1.686 . . . . 99.99 112.416 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 56.77 74.44 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.028 1.331 . . . . 99.99 111.553 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 65.55 -76.71 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.18 1.392 . . . . 99.99 111.602 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 47' ' ' LEU . . . . . 0.674 HD22 ' HA3' ' E' ' 43' ' ' GLY . 48.2 tp 65.69 -75.13 0.05 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.226 1.41 . . . . 99.99 111.123 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -74.25 1.08 12.22 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.599 1.16 . . . . 99.99 112.433 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.76 154.16 27.8 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.938 -0.465 . . . . 99.99 111.938 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -167.49 129.63 1.6 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.403 0.681 . . . . 99.99 110.824 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -94.71 -21.89 18.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.524 1.129 . . . . 99.99 112.133 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 58.4 m -74.08 -61.62 1.79 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.089 0.555 . . . . 99.99 112.376 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.12 -45.15 11.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.907 0.483 . . . . 99.99 110.16 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -172.17 4.02 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.758 0.823 . . . . 99.99 110.423 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.484 HD23 ' H ' ' E' ' 55' ' ' LEU . 1.9 pt? -125.89 118.35 25.25 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.797 0.439 . . . . 99.99 110.838 -173.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 56.85 60.84 2.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.87 1.268 . . . . 99.99 111.66 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 52.77 53.52 12.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.858 0.863 . . . . 99.99 111.807 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -55.71 127.52 30.43 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 112.218 0.451 . . . . 99.99 112.218 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt 89.94 -25.86 0.06 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.789 2.035 . . . . 99.99 113.253 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -145.41 74.02 1.38 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.491 0.662 . . . . 99.99 109.326 173.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -93.59 174.51 7.15 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.233 -0.894 . . . . 99.99 110.821 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 113.68 65.17 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.17 56.21 5.67 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 123.261 2.641 . . . . 99.99 110.576 172.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' B' ' 12' ' ' GLN . . . 60.64 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 113.94 -1.482 . . . . 99.99 110.11 -163.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -179.85 -164.39 0.06 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.518 1.127 . . . . 99.99 109.003 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 66' ' ' ASN . . . . . 0.61 HD22 HG21 ' E' ' 80' ' ' ILE . 97.7 m-20 -85.62 136.99 33.16 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 165.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.76 143.11 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.055 0.942 . . . . 99.99 111.99 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 28.9 pt -89.4 28.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.592 1.157 . . . . 99.99 112.272 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -80.17 -57.95 3.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.782 -0.822 . . . . 99.99 108.782 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -94.65 26.5 3.47 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.006 -0.997 . . . . 99.99 111.153 -168.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.42 179.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.809 0.444 . . . . 99.99 110.687 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.03 56.95 0.18 Allowed Glycine 0 N--CA 1.465 0.627 0 N-CA-C 110.592 -1.003 . . . . 99.99 110.592 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -153.83 169.19 24.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.992 0.917 . . . . 99.99 109.121 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.55 -168.76 4.08 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 123.178 0.299 . . . . 99.99 112.878 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.99 4.95 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.257 1.027 . . . . 99.99 110.26 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.25 80.39 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.177 -1.374 . . . . 99.99 110.686 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -117.54 44.52 2.12 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.211 1.004 . . . . 99.99 110.678 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -79.23 -57.07 3.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.644 -0.707 . . . . 99.99 110.685 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -81.26 -32.61 33.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.877 0.871 . . . . 99.99 111.06 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 80' ' ' ILE . . . . . 0.61 HG21 HD22 ' E' ' 66' ' ' ASN . 3.3 mp 67.01 130.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.892 1.277 . . . . 99.99 110.576 -171.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -127.2 135.77 51.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.553 0.741 . . . . 99.99 110.143 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.16 173.19 5.84 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.086 0.954 . . . . 99.99 111.481 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.95 -171.2 3.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.373 0.669 . . . . 99.99 110.419 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 143.12 25.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.083 0.953 . . . . 99.99 110.837 173.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.88 -74.89 0.43 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.777 0.431 . . . . 99.99 110.86 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -161.04 144.14 12.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.777 0.431 . . . . 99.99 110.897 -169.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.86 38.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 99.99 109.576 176.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 88' ' ' GLU . . . . . 0.456 ' H ' HG21 ' D' ' 7' ' ' THR . 21.7 mt-10 -85.47 -70.59 0.58 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.724 0.81 . . . . 99.99 110.257 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.84 -78.6 1.51 Allowed Glycine 0 C--N 1.355 1.629 0 CA-C-N 115.875 -0.602 . . . . 99.99 111.908 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.8 17.87 10.78 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.927 1.291 . . . . 99.99 113.989 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.99 143.11 15.69 Favored Glycine 0 C--N 1.344 0.992 0 N-CA-C 111.782 -0.527 . . . . 99.99 111.782 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.64 -132.03 3.64 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 117.272 0.536 . . . . 99.99 112.874 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.5 113.38 10.54 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.431 0.692 . . . . 99.99 109.976 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.62 -177.83 3.22 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.667 0.787 . . . . 99.99 108.974 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -135.17 109.17 8.17 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.047 0.451 . . . . 99.99 109.904 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.94 -137.0 2.11 Favored Glycine 0 C--O 1.242 0.647 0 N-CA-C 109.212 -1.555 . . . . 99.99 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 97' ' ' ILE . . . . . 0.535 HG23 ' SD ' ' D' ' 94' ' ' MET . 9.5 mt 63.8 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 C-N-CA 124.237 1.015 . . . . 99.99 112.392 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.54 34.64 0.49 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.847 0.859 . . . . 99.99 111.828 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.55 129.25 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.543 1.137 . . . . 99.99 109.892 -164.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 100' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' D' ' 54' ' ' ASP . 3.5 mp -75.94 107.1 3.81 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 109.231 -0.655 . . . . 99.99 109.231 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -86.04 6.32 5.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.308 2.005 . . . . 99.99 111.434 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp 66.63 -83.18 0.03 OUTLIER 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.631 1.572 . . . . 99.99 109.893 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -148.24 3.31 0.68 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.864 1.266 . . . . 99.99 109.661 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.82 -52.82 4.62 Favored Glycine 0 C--N 1.357 1.717 0 CA-C-N 116.038 -0.528 . . . . 99.99 112.841 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 105' ' ' GLN . . . . . 0.408 ' HG3' ' ND1' ' E' ' 108' ' ' HIS . 50.1 tp60 -139.27 38.62 2.09 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.428 0.691 . . . . 99.99 109.948 -170.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 62.19 -81.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.034 1.334 . . . . 99.99 112.179 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 36.8 p -133.9 -90.04 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.12 -0.696 . . . . 99.99 109.12 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 108' ' ' HIS . . . . . 0.408 ' ND1' ' HG3' ' E' ' 105' ' ' GLN . 60.4 m80 52.04 19.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.594 1.158 . . . . 99.99 113.06 -174.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -134.96 -77.7 0.45 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.727 -1.583 . . . . 99.99 106.727 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.61 161.12 22.99 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.67 79.35 0.26 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.13 0.972 . . . . 99.99 110.865 -174.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -164.16 -67.56 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -165.38 -70.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.248 1.019 . . . . 99.99 108.952 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.02 122.82 28.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.931 0.892 . . . . 99.99 109.059 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 115' ' ' THR . . . . . 0.528 ' HA ' ' HD1' ' D' ' 140' ' ' TYR . 15.1 p -131.73 -67.5 0.68 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.353 1.061 . . . . 99.99 108.421 173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 179.44 -115.79 0.49 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.987 -1.245 . . . . 99.99 109.987 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -122.13 109.64 33.34 Favored Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 108.746 -0.835 . . . . 99.99 108.746 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -80.01 35.21 0.56 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 123.333 2.689 . . . . 99.99 112.986 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.59 69.94 5.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.981 1.313 . . . . 99.99 110.047 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -175.76 -40.47 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.584 1.554 . . . . 99.99 108.423 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.28 -30.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 169.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 39.9 p -66.69 85.17 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.051 0.94 . . . . 99.99 110.222 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -156.26 -76.91 0.09 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 124' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' D' ' 129' ' ' ALA . 12.3 t 49.06 86.22 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.365 1.466 . . . . 99.99 112.934 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.29 79.34 0.37 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.272 0.558 . . . . 99.99 110.034 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -161.84 129.09 3.93 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.131 0.972 . . . . 96.83 109.758 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -161.62 168.47 23.4 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.751 0.82 . . . . 99.99 109.761 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -156.19 177.87 10.94 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.391 0.676 . . . . 74.48 111.002 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.5 t -123.04 163.47 20.43 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.443 -0.799 . . . . 99.99 109.843 -177.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -96.78 -174.9 3.13 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 111.314 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 131' ' ' TRP . . . . . 0.52 ' HE1' HG23 ' D' ' 122' ' ' THR . 60.6 p-90 -148.97 162.91 38.95 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.867 0.867 . . . . 99.99 109.694 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 73.1 m -156.72 128.14 7.04 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 7.3 m -133.75 100.76 4.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.258 0.481 . . . . 99.99 109.924 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -78.53 137.82 20.15 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.477 -0.649 . . . . 89.58 111.477 171.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.98 -38.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.594 0.758 . . . . 99.99 110.788 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.46 81.96 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 126.476 1.91 . . . . 99.99 112.736 -171.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 21.4 p -62.07 -74.37 0.09 Allowed 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.352 1.242 . . . . 99.99 114.352 -162.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.95 -175.8 5.28 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.529 0.332 . . . . 99.99 111.141 -169.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -68.16 152.76 45.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.986 0.914 . . . . 99.99 110.93 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.93 -65.79 3.69 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.411 -0.359 . . . . 99.99 112.288 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 141' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' C' ' 13' ' ' ILE . . . 60.38 15.34 5.39 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.16 0.984 . . . . 99.99 112.287 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 142' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 8.1 mp 68.59 -56.33 0.52 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.847 1.659 . . . . 99.99 111.999 -167.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' SG ' ' C' ' 102' ' ' CYS . . . -76.24 129.42 10.06 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.028 0.771 . . . . 99.99 115.028 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 144' ' ' VAL . . . . . 0.534 HG22 HD11 ' E' ' 278' ' ' LEU . 7.4 p -155.35 133.22 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 124.93 1.292 . . . . 99.99 108.289 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 145' ' ' ASP . . . . . 0.799 ' HB2' HG22 ' C' ' 58' ' ' VAL . 19.9 t70 -142.18 143.44 32.94 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.803 1.038 . . . . 99.99 113.803 -167.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 6.1 tt -127.54 102.78 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 106.523 -1.658 . . . . 99.99 106.523 163.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -58.05 121.83 11.57 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 116.363 -0.381 . . . . 99.99 111.984 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -81.01 127.46 32.61 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 167.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -141.33 103.14 4.36 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.939 -1.504 . . . . 99.99 106.939 171.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.37 146.85 23.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 151' ' ' HIS . . . . . 0.566 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 24.9 m170 -92.65 -47.51 0.31 Allowed Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.027 0.531 . . . . 99.99 110.603 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 152' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 16.8 Cg_exo -73.03 -169.17 0.47 Allowed 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 121.766 1.644 . . . . 99.99 111.687 164.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 3.9 m 59.89 41.52 17.73 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.795 0.838 . . . . 99.99 110.278 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 154' ' ' ILE . . . . . 0.548 HD12 ' H ' ' E' ' 154' ' ' ILE . 4.0 mp -67.94 -55.58 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.279 -0.873 . . . . 99.99 109.149 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.7 mp -107.12 -55.21 2.36 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.074 -1.084 . . . . 99.99 108.074 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 73.62 -49.71 0.69 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.779 1.632 . . . . 99.99 111.803 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 157' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' E' ' 158' ' ' ALA . 11.8 tmm? -60.39 155.16 18.7 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.351 1.061 . . . . 99.99 110.456 174.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 158' ' ' ALA . . . . . 0.463 ' N ' ' SD ' ' E' ' 157' ' ' MET . . . -48.57 108.74 0.19 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.627 1.171 . . . . 99.99 112.086 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 159' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' E' ' 159' ' ' LYS . 7.7 tmtt? -63.55 -30.83 71.89 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.38 1.072 . . . . 99.99 110.135 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.45 39.17 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.036 0.934 . . . . 99.99 112.284 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 67.42 -83.1 0.03 OUTLIER 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.27 1.428 . . . . 99.99 111.228 172.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -118.17 30.69 5.95 Favored Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 28.5 tp 60.71 33.95 20.09 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.62 1.168 . . . . 99.99 109.853 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.98 -79.43 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.078 1.351 . . . . 99.99 111.424 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.8 t -123.92 -1.86 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.188 0.995 . . . . 99.99 110.702 -175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.66 -87.05 1.32 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.678 -0.569 . . . . 99.99 111.678 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.47 -88.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.521 0.728 . . . . 99.99 109.284 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.2 p -177.85 -42.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.238 1.415 . . . . 99.99 107.885 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.1 m 70.47 -57.77 0.57 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.723 1.609 . . . . 99.99 112.113 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 2.7 m -74.88 76.75 2.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.314 1.046 . . . . 99.99 110.423 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -175.8 124.77 0.21 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 125.008 1.323 . . . . 99.99 108.425 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.16 127.62 6.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.486 0.714 . . . . 99.99 109.616 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 43.4 tp -124.5 123.91 41.14 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -72.71 84.67 1.18 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.205 1.002 . . . . 99.99 110.087 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -93.92 -48.87 6.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.955 -1.02 . . . . 99.99 109.268 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.22 122.75 28.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.953 -0.567 . . . . 99.99 111.005 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.2 m -138.28 121.14 10.97 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 106.922 -1.51 . . . . 99.99 106.922 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.37 66.07 7.93 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.347 2.698 . . . . 99.99 113.288 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.78 -177.46 0.08 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 99.99 113.684 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -94.33 161.95 14.04 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.824 0.85 . . . . 99.99 110.689 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.55 121.51 42.52 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.79 114.07 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 122.752 0.421 . . . . 99.99 110.022 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 56.66 23.72 8.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.527 1.131 . . . . 99.99 112.575 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 36.7 m80 55.96 -80.69 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.496 1.518 . . . . 99.99 111.681 -171.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.23 -43.66 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.914 0.886 . . . . 99.99 110.133 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 2.9 p 46.75 83.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.438 1.495 . . . . 99.99 113.778 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 20.2 p -71.64 151.33 43.8 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.286 0.635 . . . . 99.99 110.041 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 78.96 -29.74 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.885 1.674 . . . . 99.99 111.916 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.98 126.54 27.99 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.152 0.981 . . . . 99.99 109.497 177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 81.6 m 73.63 117.21 0.05 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.089 1.356 . . . . 99.99 109.892 -168.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 191' ' ' TYR . . . . . 0.678 ' HB2' ' HB3' ' E' ' 212' ' ' SER . 70.0 t80 73.71 131.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.29 1.436 . . . . 99.99 110.657 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 81.7 169.28 42.37 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.512 -0.605 . . . . 99.99 112.473 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.58 94.04 0.14 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.764 2.309 . . . . 99.99 112.223 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 35.3 p -102.34 31.51 3.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.205 1.002 . . . . 99.99 109.041 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -78.86 70.36 5.19 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.346 1.058 . . . . 99.99 110.229 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 4.8 t -82.29 -53.97 5.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.438 -0.801 . . . . 99.99 108.909 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 80.8 p 45.99 23.48 0.18 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.033 1.864 . . . . 99.99 116.033 161.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.67 -66.5 0.55 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.684 0.794 . . . . 99.99 111.39 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -90.11 59.26 4.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.438 0.695 . . . . 99.99 109.553 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.4 m 61.7 105.62 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.446 0 C-N-CA 124.474 1.11 . . . . 99.99 112.027 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.68 162.7 32.52 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.804 2.336 . . . . 99.99 113.709 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 101.71 -88.38 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 CA-C-N 115.773 -0.649 . . . . 99.99 113.313 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.37 -48.35 81.95 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.918 0.887 . . . . 99.99 111.62 -170.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -92.98 -24.04 18.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.655 0.782 . . . . 99.99 111.38 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.8 mp -98.5 -114.84 0.15 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 109.351 -0.611 . . . . 99.99 109.351 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 56.48 15.63 2.13 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.353 1.461 . . . . 99.99 112.549 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.53 112.88 8.02 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.332 -0.618 . . . . 99.99 109.332 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.07 -67.86 0.07 OUTLIER Glycine 0 C--O 1.246 0.89 0 O-C-N 123.921 0.763 . . . . 99.99 112.274 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 98.6 -168.36 22.71 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.244 -0.478 . . . . 99.99 112.295 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -91.75 4.22 53.3 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.126 0.97 . . . . 99.99 111.646 -171.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.46 179.77 48.21 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.936 -0.575 . . . . 99.99 113.188 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 212' ' ' SER . . . . . 0.678 ' HB3' ' HB2' ' E' ' 191' ' ' TYR . 73.9 m 62.81 18.56 10.83 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.427 1.091 . . . . 99.99 112.218 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 70.8 mt -138.06 -52.22 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.54 -1.281 . . . . 99.99 107.54 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 25.0 m 75.81 -31.1 0.19 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.086 1.354 . . . . 99.99 113.767 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.28 -29.83 68.71 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.691 0.796 . . . . 99.99 111.325 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.1 -11.91 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.473 1.109 . . . . 99.99 111.224 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 86.3 mt 81.55 135.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.576 1.95 . . . . 99.99 110.953 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 42.5 tp -118.68 129.19 55.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.041 0.536 . . . . 99.99 110.223 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -78.48 162.61 26.24 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 124.958 1.303 . . . . 99.99 110.801 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.05 -164.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.134 0.974 . . . . 99.99 112.495 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 68.4 18.43 9.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.476 1.111 . . . . 99.99 111.945 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -68.95 127.22 32.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.088 0.955 . . . . 99.99 110.392 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.56 155.99 39.62 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.917 0.887 . . . . 99.99 111.163 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.07 139.63 50.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.692 0.797 . . . . 99.99 109.83 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 3.8 t -133.31 77.37 1.72 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.726 0.81 . . . . 99.99 110.663 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.31 -75.01 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.213 1.405 . . . . 99.99 113.105 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 89.72 35.62 7.73 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 122.831 0.253 . . . . 99.99 112.646 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -155.5 178.92 31.85 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 112.006 -0.438 . . . . 99.99 112.006 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 102.22 53.27 0.95 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.714 -0.954 . . . . 99.99 110.714 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.33 72.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.73 0.812 . . . . 99.99 111.157 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 55.77 54.06 8.67 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.49 1.116 . . . . 99.99 112.122 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.6 p -72.22 84.46 1.04 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.401 0.68 . . . . 99.99 111.641 -176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -165.77 -43.06 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.827 1.251 . . . . 99.99 108.72 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.34 -81.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.727 1.611 . . . . 99.99 112.44 -173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.67 69.09 10.32 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.013 0.925 . . . . 99.99 110.95 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 59.6 p 50.92 -159.99 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.412 1.485 . . . . 99.99 113.421 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 60.87 27.67 17.48 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.834 1.254 . . . . 99.99 111.01 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 18.9 m -58.11 -42.12 85.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.473 1.509 . . . . 99.99 112.48 -173.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -138.78 50.06 1.86 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 99.99 108.797 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -80.07 51.48 4.11 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.864 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -93.75 70.61 4.11 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.418 1.087 . . . . 99.99 110.012 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 242' ' ' TRP . . . . . 0.436 ' HB2' ' HG2' ' E' ' 245' ' ' LYS . 6.4 m-90 -124.02 -5.85 7.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.821 -1.081 . . . . 99.99 109.738 172.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 53.67 -106.49 0.31 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.321 1.448 . . . . 99.99 112.441 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -78.21 -21.98 69.13 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 119.881 -0.4 . . . . 99.99 112.862 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 245' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' E' ' 242' ' ' TRP . 93.8 mttt 67.16 -72.55 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.464 1.506 . . . . 99.99 111.171 177.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.1 m 75.42 -42.35 0.47 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.164 1.386 . . . . 99.99 114.506 169.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -19.85 61.24 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.34 1.237 . . . . 99.99 114.34 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 248' ' ' ARG . . . . . 0.608 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -50.98 -63.04 1.26 Allowed 'General case' 0 CA--C 1.555 1.149 0 O-C-N 124.434 1.084 . . . . 99.99 113.624 -161.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 249' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' E' ' 248' ' ' ARG . 33.3 mt-10 -88.63 -62.19 1.54 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.456 0.646 . . . . 99.99 111.246 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.17 -48.82 19.08 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 114.845 -1.071 . . . . 99.99 113.061 -159.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.9 70.66 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.339 0.866 . . . . 99.99 113.339 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.41 -33.96 61.0 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.461 0.476 . . . . 99.99 111.734 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -88.73 -66.91 0.87 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.921 0.488 . . . . 99.99 110.893 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 254' ' ' ARG . . . . . 0.519 ' HB3' ' HA ' ' E' ' 258' ' ' LEU . 59.7 mmt-85 -132.52 110.58 10.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 99.99 108.772 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -74.31 75.38 1.18 Allowed Glycine 0 C--N 1.349 1.305 0 O-C-N 123.18 0.3 . . . . 99.99 113.61 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 66.0 t80 68.49 -71.23 0.12 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.962 1.705 . . . . 99.99 113.103 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -72.88 8.2 1.65 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.835 1.05 . . . . 99.99 113.835 -173.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 258' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' E' ' 254' ' ' ARG . 31.6 tp 71.2 -80.82 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.57 1.148 . . . . 99.99 112.311 160.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.68 -36.75 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.336 0.654 . . . . 99.99 112.545 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.2 p -82.57 163.37 21.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.767 0.427 . . . . 99.99 110.69 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -79.5 -152.26 0.07 Allowed 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 108.433 -0.951 . . . . 99.99 108.433 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.25 -12.69 5.84 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.112 0.869 . . . . 99.99 112.254 171.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -46.44 -64.66 0.7 Allowed 'General case' 0 C--N 1.372 1.554 0 C-N-CA 124.841 1.257 . . . . 99.99 111.432 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 17.2 t 49.8 39.11 17.31 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.404 1.065 . . . . 99.99 112.052 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.74 124.01 19.17 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.042 0.537 . . . . 99.99 110.612 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.46 -53.89 41.19 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.266 0.626 . . . . 99.99 110.664 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.5 p -160.74 -76.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.312 -0.858 . . . . 99.99 109.315 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.83 -9.8 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.385 0.674 . . . . 99.99 111.436 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.6 t -130.98 160.59 34.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.307 0.643 . . . . 99.99 111.189 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 270' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' E' ' 272' ' ' ASN . 12.8 tt0 -146.53 126.62 13.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.572 1.149 . . . . 99.99 108.85 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -91.25 0.61 57.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.131 0.973 . . . . 99.99 112.997 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 272' ' ' ASN . . . . . 0.44 ' H ' ' HG2' ' E' ' 270' ' ' GLU . 43.1 t30 -80.21 -62.64 1.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 119.107 -0.473 . . . . 99.99 112.002 -171.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 273' ' ' GLN . . . . . 0.541 ' HG3' ' H ' ' E' ' 275' ' ' LYS . 7.1 tp-100 162.73 134.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.243 . . . . 99.99 109.685 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.69 25.32 5.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.952 0.901 . . . . 99.99 110.054 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 275' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' E' ' 273' ' ' GLN . 2.4 pptp? -46.62 131.81 8.23 Favored Pre-proline 0 N--CA 1.49 1.533 0 C-N-CA 124.352 1.061 . . . . 99.99 112.625 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -92.7 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.966 2.444 . . . . 99.99 113.292 -166.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 277' ' ' LEU . . . . . 0.662 HD13 ' H ' ' E' ' 277' ' ' LEU . 0.0 OUTLIER -71.28 73.77 0.69 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.447 1.499 . . . . 99.99 112.343 -177.153 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 278' ' ' LEU . . . . . 0.534 HD11 HG22 ' E' ' 144' ' ' VAL . 0.2 OUTLIER -144.18 -169.07 3.04 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.557 0.743 . . . . 99.99 109.386 -170.347 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 279' ' ' GLY . . . . . 0.423 ' O ' HD13 ' C' ' 98' ' ' LEU . . . -172.46 173.74 45.42 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.291 -0.723 . . . . 99.99 111.291 177.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 65.42 -170.65 0.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.616 1.166 . . . . 99.99 111.375 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 69.77 -14.31 0.36 Allowed 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.53 1.532 . . . . 99.99 113.809 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -60.52 -37.74 82.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.138 -0.689 . . . . 99.99 109.138 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.28 157.51 41.49 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.837 -1.074 . . . . 99.99 108.463 166.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.62 25.25 0.1 Allowed Glycine 0 N--CA 1.471 1.013 0 N-CA-C 111.656 -0.578 . . . . 99.99 111.656 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -89.82 112.42 23.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.113 0.965 . . . . 99.99 109.621 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 65.3 ttp -133.64 115.14 13.42 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 109.225 -0.657 . . . . 99.99 109.225 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 110.15 1.76 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.55 2.166 . . . . 99.99 110.76 174.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 288' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' C' ' 42' ' ' LEU . 46.1 t -81.83 114.89 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.046 0.539 . . . . 99.99 109.601 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -81.91 4.55 22.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.518 1.127 . . . . 99.99 112.141 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 290' ' ' TRP . . . . . 0.497 ' H ' HG12 ' E' ' 288' ' ' VAL . 90.6 m95 69.58 -170.83 0.17 Allowed 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.007 1.323 . . . . 99.99 112.22 -175.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 291' ' ' LEU . . . . . 0.542 HD23 ' HD2' ' E' ' 293' ' ' PRO . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.19 3.75 Favored Glycine 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 293' ' ' PRO . . . . . 0.542 ' HD2' HD23 ' E' ' 291' ' ' LEU . 31.7 Cg_exo -63.01 89.25 0.12 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.179 2.586 . . . . 99.99 111.637 172.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 294' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' E' ' 290' ' ' TRP . 15.0 tmtt? -140.93 114.92 9.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.794 -0.817 . . . . 99.99 108.794 -174.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.53 -51.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.625 1.57 . . . . 99.99 107.211 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 296' ' ' THR . . . . . 0.636 ' HB ' HG21 ' C' ' 40' ' ' VAL . 40.0 m 57.1 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.901 1.68 . . . . 99.99 113.147 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 297' ' ' TYR . . . . . 0.658 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 29.2 t80 -84.0 70.94 10.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.333 0.653 . . . . 99.99 110.963 -168.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -175.88 143.47 0.58 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.037 1.335 . . . . 99.99 108.44 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 87.06 -55.47 4.6 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 113.661 0.225 . . . . 99.99 113.661 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -88.61 28.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.105 0.962 . . . . 99.99 110.664 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 301' ' ' ILE . . . . . 0.598 ' HB ' ' HD3' ' C' ' 124' ' ' PRO . 6.1 tp -135.76 15.8 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 126.111 1.765 . . . . 99.99 108.012 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.19 -140.87 0.23 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.388 1.075 . . . . 99.99 109.016 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -113.25 92.79 23.5 Favored Pre-proline 0 N--CA 1.478 0.942 0 CA-C-N 119.572 1.078 . . . . 99.99 110.32 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.18 -30.74 1.99 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.175 1.917 . . . . 99.99 111.654 168.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -170.98 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.759 1.223 . . . . 99.99 108.873 -172.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.45 112.88 15.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.841 -1.17 . . . . 99.99 107.841 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.5 p -65.56 149.52 49.94 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 124.009 0.924 . . . . 99.99 111.229 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 308' ' ' CYS . . . . . 0.432 ' HA ' ' HZ ' ' C' ' 32' ' ' PHE . 52.5 t -71.41 89.68 0.93 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 172.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 45.1 p -58.65 125.8 77.85 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.47 1.108 . . . . 99.99 111.423 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 79.02 1.61 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.406 2.071 . . . . 99.99 111.29 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -77.43 -44.93 2.63 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 114.399 -1.273 . . . . 99.99 111.099 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.89 130.03 38.13 Favored 'Trans proline' 0 C--N 1.393 2.876 0 CA-C-N 121.37 1.525 . . . . 99.99 111.095 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 313' ' ' GLN . . . . . 0.52 ' HG2' ' HB2' ' D' ' 53' ' ' ASP . 22.6 tm0? -56.82 114.27 2.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.888 0.875 . . . . 99.99 109.544 -177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 91.08 1.77 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.226 1.013 . . . . 99.99 110.205 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -85.15 76.86 10.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.174 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -70.59 -40.63 73.13 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.047 -0.979 . . . . 99.99 111.181 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.1 m -113.78 104.57 12.34 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.574 -0.899 . . . . 99.99 108.574 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.6 148.87 35.58 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 124.22 1.008 . . . . 99.99 109.762 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 319' ' ' PRO . . . . . 0.538 ' HB3' ' HB3' ' E' ' 323' ' ' GLN . 24.2 Cg_exo -65.38 98.85 0.34 Allowed 'Trans proline' 0 C--N 1.369 1.649 0 C-N-CA 122.286 1.991 . . . . 99.99 111.227 174.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.9 p -90.94 78.15 6.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 122.853 0.461 . . . . 99.99 110.535 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.0 tt 58.31 62.87 1.87 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.725 1.21 . . . . 99.99 110.368 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.947 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 323' ' ' GLN . . . . . 0.538 ' HB3' ' HB3' ' E' ' 319' ' ' PRO . 6.7 tp60 -86.59 43.63 1.09 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.214 0.605 . . . . 99.99 110.823 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.6 mmt 47.71 61.19 3.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.634 1.174 . . . . 99.99 111.741 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 4.4 m -56.54 -43.76 80.19 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.43 -1.259 . . . . 99.99 112.117 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.13 -27.77 32.58 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.207 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? 76.52 -55.86 0.57 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.616 1.566 . . . . 99.99 110.786 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.71 31.73 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.197 0.999 . . . . 99.99 112.778 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.98 -7.81 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 123.645 0.778 . . . . 99.99 112.612 168.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.38 -51.6 66.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 45.4 tp -73.3 -41.58 63.4 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.529 0.732 . . . . 99.99 110.489 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 332' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' E' ' 337' ' ' LYS . 37.2 tp -106.95 72.27 0.88 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.612 0.72 . . . . 99.99 110.044 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.2 m -79.87 -13.82 59.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.337 -0.847 . . . . 99.99 111.434 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -150.97 141.09 22.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.154 0.582 . . . . 99.99 110.298 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -53.89 -34.95 60.98 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.371 1.468 . . . . 99.99 113.793 -168.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -72.51 114.68 10.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.814 0.446 . . . . 99.99 111.159 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 337' ' ' LYS . . . . . 0.497 ' HD3' HD13 ' E' ' 332' ' ' LEU . 22.5 pttp -150.04 -30.6 0.21 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.531 1.132 . . . . 99.99 109.835 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 141.61 150.42 5.37 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.667 -0.573 . . . . 99.99 111.667 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.7 t80 58.51 90.84 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.864 1.266 . . . . 99.99 111.98 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -85.35 -59.11 2.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 58.7 tp -147.98 152.02 36.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.194 0.998 . . . . 99.99 109.229 -174.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.08 -58.68 3.75 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.123 0.487 . . . . 99.99 111.067 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.24 142.7 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.806 0.842 . . . . 99.99 108.891 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.56 115.5 21.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.119 0.568 . . . . 99.99 109.678 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -81.21 67.6 3.59 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.824 0.703 . . . . 99.99 111.783 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -105.64 -27.23 11.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.946 0.898 . . . . 99.99 111.171 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 47.7 t -88.93 -2.1 58.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.919 0.888 . . . . 99.99 111.425 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 12.6 tt -75.93 142.62 14.2 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 N-CA-C 109.277 -0.638 . . . . 99.99 109.277 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.35 148.79 49.19 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.131 0.573 . . . . 99.99 110.687 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.24 159.1 18.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.05 0.94 . . . . 99.99 109.751 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.2 104.08 0.05 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.063 0.945 . . . . 99.99 110.116 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.62 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.741 1.276 . . . . 99.99 110.832 -165.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.18 -64.77 0.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 177.85 75.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.992 0.917 . . . . 99.99 109.837 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -164.63 -67.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 111.792 0.293 . . . . 99.99 111.792 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 62.01 82.14 0.22 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.891 1.276 . . . . 99.99 108.968 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.43 88.35 0.33 Allowed 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.589 2.193 . . . . 99.99 111.57 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 49.0 m 66.7 160.42 0.15 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.972 1.309 . . . . 99.99 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 78.33 97.85 0.23 Allowed Glycine 0 C--N 1.347 1.141 0 CA-C-O 119.853 -0.415 . . . . 99.99 113.102 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 57.8 56.19 4.96 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.813 1.245 . . . . 99.99 110.735 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 34.2 pt -79.14 -12.45 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 115.626 -0.715 . . . . 99.99 111.311 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 166.64 -71.49 0.17 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 109.403 -1.479 . . . . 99.99 109.403 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 60.74 68.82 0.72 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.669 1.188 . . . . 99.99 111.57 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 72.9 p 55.69 80.98 0.13 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.973 1.709 . . . . 99.99 112.488 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.75 104.51 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.749 0.82 . . . . 99.99 109.353 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -114.11 100.49 8.43 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.607 -0.724 . . . . 99.99 111.462 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.22 -23.54 64.82 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.907 0.883 . . . . 99.99 109.205 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 368' ' ' ASP . . . . . 0.495 ' O ' HG22 ' E' ' 371' ' ' VAL . 31.7 t70 -53.21 -49.34 66.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.696 1.599 . . . . 99.99 112.636 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.47 -29.02 65.46 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.691 0.397 . . . . 99.99 111.291 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.81 68.65 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.344 0.658 . . . . 99.99 112.323 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 371' ' ' VAL . . . . . 0.495 HG22 ' O ' ' E' ' 368' ' ' ASP . 6.0 m -76.29 -20.62 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.851 0.46 . . . . 99.99 111.873 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.91 -29.39 55.92 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.065 0.946 . . . . 99.99 112.158 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -49.57 -46.45 48.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.234 1.014 . . . . 99.99 111.606 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.55 94.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.41 0.684 . . . . 99.99 111.271 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.41 -18.34 55.13 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.794 -0.639 . . . . 99.99 111.371 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.1 -29.73 55.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.037 0.935 . . . . 99.99 110.07 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 377' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' E' ' 381' ' ' GLU . 29.9 m-85 -65.73 -58.41 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 169.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.54 56.66 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.796 -1.093 . . . . 99.99 112.9 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -64.45 -35.34 80.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.274 1.03 . . . . 99.99 110.908 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -159.44 83.3 0.76 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.533 0.682 . . . . 99.99 111.833 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 381' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 27.7 mm-40 -106.42 113.07 26.36 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.929 0.892 . . . . 99.99 108.877 167.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.92 4.25 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 119.983 -0.343 . . . . 99.99 113.602 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.76 20.3 12.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.974 1.31 . . . . 99.99 111.835 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 42.2 p -75.32 -53.2 9.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.169 0.987 . . . . 99.99 110.228 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 56.1 tp -170.57 148.62 3.09 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.591 1.156 . . . . 99.99 108.58 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.98 103.47 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 121.814 0.816 . . . . 99.99 110.277 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.21 115.53 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.99 130.67 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 63.8 m -141.65 107.84 5.23 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -113.64 92.43 3.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.47 0.708 . . . . 99.99 109.52 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.54 125.38 7.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.839 -1.171 . . . . 99.99 107.839 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -67.86 125.72 27.16 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 123.306 0.379 . . . . 99.99 110.231 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.8 87.3 0.98 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 99.99 109.193 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -75.15 -40.46 59.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.822 -1.081 . . . . 99.99 110.541 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.5 -84.42 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.177 1.391 . . . . 99.99 111.827 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 71.1 m -141.2 50.53 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.675 1.19 . . . . 99.99 108.471 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 61.26 85.56 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.093 -1.412 . . . . 99.99 110.509 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.62 153.25 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 113.077 0.769 . . . . 99.99 113.077 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 25.5 t 50.54 74.1 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 124.585 1.154 . . . . 99.99 111.106 -171.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 400' ' ' ALA . . . . . 0.46 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -177.37 -55.37 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 125.005 1.322 . . . . 99.99 110.396 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 401' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 59.2 Cg_endo -92.47 160.72 2.98 Favored 'Trans proline' 0 C--N 1.394 2.962 0 C-N-CA 122.357 2.038 . . . . 99.99 112.78 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 23.7 t70 63.14 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.599 1.16 . . . . 99.99 111.416 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 8.7 m 65.3 107.61 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.793 1.237 . . . . 99.99 112.353 173.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -73.39 114.07 11.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.25 19.06 Favored Pre-proline 0 CA--C 1.558 1.262 0 CA-C-O 118.535 -0.745 . . . . 99.99 112.264 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.6 145.41 52.23 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 121.326 1.351 . . . . 99.99 112.678 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -64.81 125.23 30.22 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.797 -0.921 . . . . 99.99 110.797 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 408' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' E' ' 409' ' ' THR 0.271 0.5 OUTLIER 44.61 -79.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 126.135 1.774 . . . . 99.99 112.106 -163.342 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' E' E ' 409' ' ' THR . . . . . 0.452 ' H ' ' HG ' ' E' ' 408' ' ' LEU . 5.1 t -125.04 -32.3 3.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.444 0.698 . . . . 99.99 110.715 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -174.27 -33.43 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.888 1.275 . . . . 99.99 110.317 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 71.23 158.57 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.908 1.283 . . . . 99.99 111.908 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 55.1 tp -68.0 96.67 0.62 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.584 0.354 . . . . 99.99 110.092 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 413' ' ' ASN . . . . . 0.42 ' HB2' ' HD3' ' E' ' 415' ' ' LYS . 15.3 m120 65.48 16.87 10.73 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.932 1.293 . . . . 99.99 111.431 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 18.2 m 72.51 3.67 4.75 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.619 1.567 . . . . 99.99 111.927 -173.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 415' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' E' ' 413' ' ' ASN . 4.0 mptp? -81.21 -174.32 4.82 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.356 -0.84 . . . . 99.99 110.201 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -54.05 -41.74 68.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.104 0.962 . . . . 99.99 110.87 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.17 -79.19 0.41 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 114.91 -1.041 . . . . 99.99 111.541 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.45 12.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.661 1.184 . . . . 99.99 111.899 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.08 73.08 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-O 123.319 1.533 . . . . 99.99 109.44 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 94.5 mmm -99.75 101.63 12.84 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 113.671 -1.604 . . . . 99.99 107.721 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 84.3 t 76.49 -22.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.599 0 C-N-CA 124.77 1.228 . . . . 99.99 111.426 -173.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.88 143.95 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.495 1.518 . . . . 99.99 111.56 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 54.6 m -144.55 169.31 18.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.149 0.98 . . . . 99.99 109.385 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -71.95 -21.2 61.63 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.374 0.67 . . . . 99.99 110.049 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 107.67 -124.37 7.54 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 110.491 -1.043 . . . . 99.99 110.491 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.95 88.26 7.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 170.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 2.1 p -101.17 39.11 1.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.73 1.212 . . . . 99.99 109.974 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 65.41 -104.3 0.1 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 114.343 -1.299 . . . . 99.99 112.429 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 429' ' ' GLU . . . . . 0.552 ' H ' ' HB3' ' E' ' 433' ' ' GLU . 41.0 tt0 -81.78 -75.67 0.28 Allowed 'General case' 0 C--N 1.369 1.429 0 CA-C-N 119.725 1.148 . . . . 99.99 109.55 -173.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -109.56 -78.17 0.59 Allowed 'General case' 0 C--N 1.365 1.271 0 CA-C-N 119.119 0.872 . . . . 99.99 111.641 159.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 37.2 t -106.11 -65.02 1.1 Allowed 'General case' 0 C--N 1.361 1.065 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.05 -17.88 26.97 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.789 -1.096 . . . . 99.99 113.831 -155.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 433' ' ' GLU . . . . . 0.552 ' HB3' ' H ' ' E' ' 429' ' ' GLU . 12.9 tp10 -55.86 144.4 28.08 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.789 0.681 . . . . 99.99 110.993 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -112.45 133.83 54.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.229 1.012 . . . . 99.99 109.991 -170.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 31.7 m -65.44 -46.69 78.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.658 0.783 . . . . 99.99 110.981 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 144.4 146.79 4.55 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 115.483 -0.781 . . . . 99.99 112.069 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 62.9 m -150.68 129.28 12.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.231 1.012 . . . . 99.99 109.075 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 438' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' E' ' 443' ' ' ALA . 26.2 tt0 -66.5 141.24 57.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.92 -0.77 . . . . 99.99 108.92 170.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 439' ' ' LEU . . . . . 0.589 ' HG ' ' H ' ' E' ' 440' ' ' ARG . 14.2 tp 66.31 -161.36 0.25 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.03 0.932 . . . . 99.99 108.55 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 440' ' ' ARG . . . . . 0.589 ' H ' ' HG ' ' E' ' 439' ' ' LEU . 78.4 mtp180 64.95 23.21 12.56 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.9 0.88 . . . . 99.99 112.233 170.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 1.8 mp 76.57 -36.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 125.848 1.659 . . . . 99.99 111.461 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.5 54.11 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.585 1.154 . . . . 99.99 111.735 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 443' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' E' ' 438' ' ' GLN . . . -135.92 73.45 1.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 168.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.31 -48.56 41.15 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.128 -0.942 . . . . 99.99 110.091 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.34 -177.85 29.05 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.104 -0.953 . . . . 99.99 111.85 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 160.36 47.94 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 122.989 2.459 . . . . 99.99 111.908 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.77 -45.0 96.03 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.58 -0.526 . . . . 99.99 109.58 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.07 177.5 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 0 O-C-N 124.637 1.211 . . . . 99.99 113.466 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 449' ' ' ALA . . . . . 0.575 ' H ' ' HB3' ' A' ' 53' ' ' ASP . . . -170.94 -169.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.169 1.387 . . . . 99.99 109.234 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -137.72 136.66 37.57 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.419 0.688 . . . . 99.99 109.96 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.59 -12.83 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.027 0.931 . . . . 99.99 110.116 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 452' ' ' VAL . . . . . 0.447 HG11 ' CD1' ' A' ' 56' ' ' TYR . 13.2 p -95.59 151.41 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 123.798 0.839 . . . . 99.99 111.002 -172.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -154.21 152.43 24.01 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.53 -1.428 . . . . 99.99 109.53 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.8 77.53 7.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.526 0.679 . . . . 99.99 112.617 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 455' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' ALA . 23.8 p -85.48 87.38 7.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.885 -1.524 . . . . 99.99 106.885 163.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 171.1 15.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.202 0.525 . . . . 99.99 110.781 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -141.2 42.26 1.78 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 106.969 -1.493 . . . . 99.99 106.969 172.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.7 m -60.37 107.07 0.61 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 114.557 -1.201 . . . . 99.99 110.989 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -178.0 -62.46 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 460' ' ' LEU . . . . . 0.451 HD22 HD22 ' A' ' 44' ' ' LEU . 16.7 tp 53.99 75.68 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 113.703 -1.589 . . . . 99.99 110.449 -173.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -22.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.62 2.368 . . . . 99.99 116.382 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -106.35 -34.03 7.57 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.542 1.064 . . . . 99.99 112.628 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.8 p 40.15 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.431 1.092 . . . . 99.99 111.865 -164.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 464' ' ' MET . . . . . 0.598 ' SD ' ' HB3' ' A' ' 128' ' ' LEU . 43.8 ttm 179.31 112.1 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 99.99 108.719 171.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.09 92.89 4.57 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -146.68 150.08 34.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.173 0.989 . . . . 99.99 109.549 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -137.56 156.64 47.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.022 0.929 . . . . 99.99 109.643 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 468' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 40' ' ' VAL . 1.1 pt? -152.5 129.93 11.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.849 0.86 . . . . 99.99 109.268 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.49 -4.63 70.36 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.533 -0.758 . . . . 99.99 113.446 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 470' ' ' LEU . . . . . 0.431 HD23 HD12 ' E' ' 468' ' ' LEU . 91.4 mt 70.51 143.51 0.05 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.457 1.503 . . . . 99.99 111.839 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 118.86 -0.591 . . . . 99.99 109.552 -179.394 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.523 0.201 . . . . 99.99 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 87.02 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.906 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 27.8 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.639 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.603 HG21 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 12.57 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 37.56 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 5.43 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 6.92 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 5.61 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 12.68 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 32.78 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 57.34 112.029 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 48.36 109.026 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 97.85 107.497 169.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 43.33 109.947 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 41.53 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 88.8 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 73.87 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.04 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 54.22 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 29.36 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 19.86 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 13.6 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 17.22 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 14.92 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 21.43 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 23.61 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 57.75 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 93.1 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 30.12 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 22.88 109.093 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 30.01 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 14.44 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 9.47 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.647 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 20.02 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 66.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 110.668 -0.123 . . . . 99.99 110.668 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 95.56 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 94.48 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 73.2 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.443 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 48.9 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 94.19 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 55.88 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 21.71 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 15.39 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 9.95 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 20.66 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 7.34 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 15.45 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.603 ' SG ' HG21 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 4.41 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.554 HG22 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 7.34 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.701 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 7.28 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 4.96 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' CYS . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 48.88 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 26.6 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 17.97 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 8.38 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.53 HG22 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 20.1 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 13.71 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 20.05 113.881 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.701 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 56.76 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 62.97 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 56.46 110.964 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 77.42 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.278 -0.267 . . . . 93.55 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 40.88 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 85.25 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.53 HH21 HG22 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 95.33 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 13.6 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 23.1 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 21' ' ' ILE . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 6.51 109.889 173.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 19.94 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 18' ' ' THR . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 5.14 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 19.25 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 9.84 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 18.09 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.504 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 49.39 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 98.87 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 64' ' ' VAL . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 72.1 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 96.73 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 67.27 109.687 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 66.97 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 35.64 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 74.75 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 43.74 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 89.61 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.484 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 85.91 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 76.71 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE2' ' HB2' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 98.07 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.432 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 57.34 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 21.57 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 62.33 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 95.32 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 14.84 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 28.15 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 40' ' ' VAL . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 18.14 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 24.35 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 26.44 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 56.64 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 62.67 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 81.37 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 33.32 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 25.99 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 18.76 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 16.93 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 12.76 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 8.91 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 33.15 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 11.78 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 39.34 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 63.88 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 82.93 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 98.2 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' B' ' 91' ' ' GLY . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.421 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 71.23 112.195 -174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 59.87 113.519 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 71.19 111.091 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 50.37 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 36.29 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 87.59 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 37.19 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 13.07 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 10.37 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 12.29 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 8.75 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 59.14 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 13.3 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.468 ' O ' HG23 ' B' ' 118' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 9.86 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 13.13 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.02 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 26.78 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 13.3 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 29.79 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 23.15 111.001 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 23.84 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 29.89 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.488 HD11 HG21 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 72.13 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 73.04 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 90.81 112.573 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 43.15 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 61.27 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.57 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.122 -0.325 . . . . 99.99 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 56.3 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 93.16 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 11.74 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.454 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.581 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 6.91 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 21.95 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 5.12 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 9.28 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 8.82 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.668 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 12.04 108.467 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 30.41 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 72' ' ' THR . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.628 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' D' ' 83' ' ' ILE . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 48.75 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 55.24 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.443 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 88.6 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 68.93 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 87.15 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 94.05 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.519 HD21 HD12 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 71.87 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 62.96 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 35.73 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 56.22 110.618 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 43.42 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' C' ' 56' ' ' TYR . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 94.06 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 81.86 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' C' ' 50' ' ' GLN . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.665 ' HB2' HD11 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 29.6 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.426 HG21 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 20.9 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.62 HD23 HD12 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 69.19 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 14.53 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.42 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.407 HG23 HD13 ' C' ' 114' ' ' ILE . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 17.7 108.016 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 29.53 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 32.22 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . 0.438 ' HB3' HG23 ' C' ' 72' ' ' THR . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 59.66 110.838 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.42 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 97.29 109.448 176.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 76.35 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . 0.438 HG23 ' HB3' ' C' ' 67' ' ' SER . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 37.0 110.295 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 34.06 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 39.96 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 16.54 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' C' ' 113' ' ' CYS . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 9.25 109.35 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 25.23 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.472 HE22 HG22 ' C' ' 18' ' ' THR . 8.5 tp-100 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 10.6 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.539 HD12 HD11 ' C' ' 51' ' ' LEU . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.569 ' HE1' ' HG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 36.3 pt . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 42.1 t . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.427 HD12 ' N ' ' C' ' 99' ' ' GLY . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . 0.427 ' N ' HD12 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 68.51 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 56.52 111.463 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.484 ' O ' HG12 ' C' ' 105' ' ' ILE . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.569 ' HG ' ' HE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 56.59 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 39.21 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 8.71 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.62 HD12 HD23 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 37.06 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 16.74 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 9.85 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 5.88 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 7.64 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.906 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 20.64 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.581 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 13.9 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.548 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 8.58 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 8.54 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 6.56 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.452 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 5.22 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 28.53 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 17.6 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 15.17 110.524 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.503 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 24.81 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 29.42 111.648 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.476 HD21 HG21 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 59.85 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 41.85 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 38.57 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.406 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 24.62 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.575 ' HG3' HD12 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 24.48 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 68.05 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 76.43 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.495 HD13 HG21 ' D' ' 105' ' ' ILE . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 79.46 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.532 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 53.22 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 19.87 111.174 -168.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 8.43 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.628 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 36.9 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.452 HD12 ' HG3' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 4.02 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 7.64 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 5.08 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 7.19 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 13.41 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 12.01 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB2' HD13 ' C' ' 51' ' ' LEU . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 20.55 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 22.26 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 34.6 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 31.63 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . 0.423 ' O ' ' HG2' ' D' ' 124' ' ' PRO . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 49.29 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 31.29 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 52.79 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 74.77 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 66.01 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 77.52 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 38.8 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 48.36 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 52.73 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.71 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 82.32 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 96.95 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 82.8 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.572 ' HB3' HD22 ' D' ' 98' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 44.56 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 19.48 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 52.2 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 9.25 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 10.79 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 40' ' ' VAL . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 9.72 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 19.36 108.354 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 11.33 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.545 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 29.87 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 24.97 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 27.84 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 11.35 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.545 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 10.67 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 7.73 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 11.05 107.52 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' D' ' 114' ' ' ILE . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 5.05 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.807 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 21.68 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.29 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' C' ' 29' ' ' PRO . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 43.57 107.807 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 77.58 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.575 HG22 ' HD2' ' D' ' 11' ' ' PHE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 88.57 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 88.9 112.096 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 95.17 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.622 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 66.02 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 54.11 110.928 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 40.76 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.622 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 34.31 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 28.69 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.448 HD21 ' ND2' ' D' ' 132' ' ' ASN . 34.7 t-20 -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 61.29 109.281 173.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD13 ' D' ' 13' ' ' ILE . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 19.65 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 13.09 111.963 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 10.47 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 6.22 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 10.48 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 4.16 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 10.22 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.39 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.484 HG12 ' SG ' ' D' ' 76' ' ' CYS . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 5.37 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 7.06 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 6.71 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.419 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 5.08 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 114' ' ' ILE . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 5.65 109.596 173.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 10.21 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 6.99 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 18.26 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 20.06 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 16.85 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 14.84 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 76.73 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 20.32 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 28.37 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 32.68 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 69.78 109.304 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . 0.448 ' ND2' HD21 ' D' ' 104' ' ' ASN . 16.6 m120 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.521 ' HB3' HD22 ' D' ' 44' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.664 -0.865 . . . . 99.99 108.664 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.514 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 87.02 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 27.8 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 12.57 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 37.56 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 5.43 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 6.92 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 5.61 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 12.68 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 32.78 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.4 m-20 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 57.34 112.378 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 48.36 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 97.85 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 43.33 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 41.53 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 88.8 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 73.87 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.04 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 54.22 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.507 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 29.36 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 19.86 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 13.6 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 17.22 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 14.92 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 21.43 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 23.61 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 57.75 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 93.1 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 30.12 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 22.88 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 30.01 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 14.44 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.402 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 9.47 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HG3' HD22 ' A' ' 106' ' ' LEU . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 20.02 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 66.87 108.25 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' HD2' HG12 ' A' ' 13' ' ' ILE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 99' ' ' GLY . 3.4 pp . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.425 ' N ' HD12 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 95.56 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 94.48 114.386 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 73.2 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HD3' HG11 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 48.9 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 94.19 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 55.88 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 21.71 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 15.39 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 9.95 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 20.66 111.18 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 7.34 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.506 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 15.45 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.554 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 4.41 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 7.34 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.516 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 7.28 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 4.96 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 48.88 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 114' ' ' ILE . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 26.6 109.936 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 17.97 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.664 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 8.38 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.417 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.478 HG22 HH21 ' B' ' 15' ' ' ARG . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 20.1 110.454 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 13.71 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 20.05 113.031 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 56.76 107.623 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 62.97 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 56.46 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.547 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 77.42 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.765 -0.457 . . . . 93.55 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 40.88 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 85.25 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.478 HH21 HG22 ' A' ' 122' ' ' THR . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 95.33 110.439 -176.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 13.6 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 23.1 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.754 HG21 HD11 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 6.51 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 19.94 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.754 HD11 HG21 ' B' ' 18' ' ' THR . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 5.14 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 19.25 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 9.84 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 18.09 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 49.39 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.635 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 98.87 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 72.1 108.935 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.479 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 96.73 107.77 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 67.27 109.4 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 66.97 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 35.64 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 74.75 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 43.74 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 89.61 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 85.91 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 76.71 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 98.07 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 57.34 107.992 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 21.57 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 62.33 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.833 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 95.32 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 14.84 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.453 HG22 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 28.15 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 18.14 109.699 -168.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 24.35 107.296 167.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 26.44 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.46 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 56.64 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 62.67 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 81.37 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HZ1' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 33.32 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 25.99 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 18.76 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 16.93 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.49 ' SG ' HG23 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 12.76 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 8.91 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.833 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 33.15 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 11.78 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.441 HG23 HD12 ' B' ' 51' ' ' LEU . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 39.34 106.917 171.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 63.88 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 82.93 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 98.2 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.531 HD13 ' H ' ' B' ' 89' ' ' ILE . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 71.23 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 59.87 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 71.19 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 50.37 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 36.29 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 87.59 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 37.19 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 13.07 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . 0.509 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 10.37 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . 0.425 ' HE2' HG21 ' D' ' 115' ' ' THR . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 12.29 111.347 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 8.75 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 59.14 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.664 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 13.3 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.49 HG23 ' SG ' ' B' ' 76' ' ' CYS . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 9.86 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 13.13 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.02 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 26.78 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 13.3 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 29.79 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.554 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 23.15 112.86 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 23.84 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 29.89 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 72.13 109.613 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 73.04 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 90.81 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 43.15 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 107' ' ' PHE . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 61.27 112.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.57 110.882 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 56.3 108.214 164.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 93.16 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 11.74 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.423 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.483 HG22 ' NE2' ' C' ' 80' ' ' GLN . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 6.91 109.788 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' D' ' 28' ' ' ALA . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 21.95 108.739 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 5.12 106.549 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 9.28 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 8.82 107.208 175.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 12.04 109.297 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 30.41 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.475 ' O ' HG23 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 48.75 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.547 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 55.24 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 88.6 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 68.93 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.441 HG23 ' HE1' ' E' ' 290' ' ' TRP . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 87.15 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 94.05 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 71.87 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 62.96 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 35.73 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 56.22 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 43.42 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.582 HD11 HD12 ' C' ' 83' ' ' ILE . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 94.06 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 81.86 109.63 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.559 ' HB2' HD11 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.463 HG11 HD21 ' C' ' 98' ' ' LEU . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 29.6 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 20.9 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 69.19 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.765 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 14.53 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.42 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 17.7 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 29.53 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 32.22 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 59.66 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 97.29 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 76.35 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 37.0 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 34.06 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 39.96 110.906 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 16.54 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 9.25 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 25.23 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.483 ' NE2' HG22 ' C' ' 18' ' ' THR . 6.6 tp-100 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 10.6 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.582 HD12 HD11 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 30.38 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.432 0.158 . . . . 99.99 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.463 HD21 HG11 ' C' ' 58' ' ' VAL . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 68.51 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 56.52 111.503 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.428 ' SG ' HG11 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 56.59 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 39.21 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 8.71 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 37.06 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 16.74 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 9.85 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 5.88 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 7.64 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 20.64 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.515 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' C' ' 18' ' ' THR . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 13.9 111.697 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.522 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 8.58 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 8.54 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 6.56 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.531 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 5.22 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 28.53 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 17.6 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 15.17 111.762 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 24.81 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 29.42 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 59.85 107.228 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 41.85 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 38.57 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 24.62 112.946 -170.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 24.48 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 68.05 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 76.43 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.56 HG21 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 79.46 111.985 -170.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.56 HG23 HG21 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 53.22 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 19.87 112.372 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 8.43 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 36.9 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.531 HD13 ' HE3' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 4.02 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 7.64 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 5.08 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 7.19 108.681 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 13.41 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' C' ' 19' ' ' LYS . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 12.01 114.762 -166.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 20.55 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 22.26 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 34.6 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 31.63 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 49.29 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 31.29 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 52.79 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.56 HD11 HD22 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 74.77 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 66.01 111.058 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 77.52 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 38.8 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 48.36 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 52.73 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.71 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 82.32 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 96.95 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 82.8 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 44.56 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 19.48 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 52.2 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 9.25 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 10.79 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 9.72 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 19.36 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 11.33 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 29.87 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 24.97 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 27.84 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 11.35 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.475 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 10.67 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 7.73 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 11.05 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' HG23 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 5.05 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 21.68 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.29 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 43.57 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.446 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 77.58 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 88.57 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.523 ' HB2' HD13 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 88.9 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 95.17 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.452 HD21 HD12 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 66.02 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 54.11 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 40.76 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 34.31 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.591 ' HG3' HG11 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 28.69 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 61.29 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.442 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 19.65 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 13.09 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 10.47 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 6.22 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 10.48 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 4.16 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 10.22 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.39 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.561 HG23 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 5.37 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . 0.425 HG21 ' HE2' ' B' ' 109' ' ' TYR . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 7.06 111.301 -173.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 6.71 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 5.08 111.958 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 5.65 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 10.21 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 6.99 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 18.26 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 20.06 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 16.85 110.964 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 14.84 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 76.73 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.56 HD22 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 20.32 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 28.37 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 32.68 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 69.78 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.441 ' HE1' HG23 ' C' ' 40' ' ' VAL . 30.9 t-105 . . . . . 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.486 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 87.02 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 27.8 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 12.57 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 37.56 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 5.43 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 6.92 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 5.61 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 12.68 109.188 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 32.78 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 57.34 111.083 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 48.36 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 97.85 109.401 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 43.33 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 41.53 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 88.8 109.966 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 73.87 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.04 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HB ' ' HE1' ' A' ' 84' ' ' PHE . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 54.22 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 29.36 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 19.86 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 13.6 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 17.22 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 14.92 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 21.43 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 23.61 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 57.75 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 93.1 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 30.12 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 22.88 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 30.01 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 14.44 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 9.47 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 20.02 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.545 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 66.87 108.665 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.486 ' HD2' HG12 ' A' ' 13' ' ' ILE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 95.56 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 94.48 111.983 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 73.2 112.595 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 48.9 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 94.19 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 55.88 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 21.71 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 15.39 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 9.95 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 20.66 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 7.34 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 15.45 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 4.41 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.4 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 7.34 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 125' ' ' GLN . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 7.28 110.239 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 4.96 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 48.88 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 26.6 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 17.97 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 8.38 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 20.1 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 13.71 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 20.05 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 115' ' ' THR . 13.2 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 56.76 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.44 ' ND2' ' HB ' ' C' ' 16' ' ' ILE . 8.0 m120 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 62.97 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 56.46 113.047 -171.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 129' ' ' ALA . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 77.42 112.303 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.567 ' HZ ' ' HG ' ' B' ' 102' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 93.55 108.356 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.492 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 40.88 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 85.25 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 95.33 110.97 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 13.6 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 23.1 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.445 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 6.51 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 19.94 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 5.14 108.998 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 19.25 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 9.84 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 18.09 107.048 173.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 49.39 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.653 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' B' ' 123' ' ' PHE . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 98.87 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 72.1 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.513 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 96.73 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 67.27 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.51 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 66.97 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 35.64 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 74.75 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 43.74 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 89.61 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 85.91 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 76.71 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 98.07 108.566 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 57.34 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 21.57 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 62.33 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.51 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 95.32 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 14.84 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 28.15 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 18.14 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 24.35 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 26.44 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.571 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 56.64 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 62.67 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 81.37 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.403 HG21 HD21 ' B' ' 75' ' ' LEU . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 33.32 111.219 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.571 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 25.99 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 18.76 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 16.93 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 12.76 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 8.91 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 33.15 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.538 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 11.78 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 39.34 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.492 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 63.88 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 82.93 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 98.2 111.234 -170.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.483 ' HG3' HD12 ' B' ' 98' ' ' LEU . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.607 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 71.23 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 59.87 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 71.19 111.579 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.607 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 50.37 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 36.29 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 87.59 111.772 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 37.19 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 13.07 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 10.37 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 12.29 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 8.75 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 59.14 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 13.3 111.203 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.574 HG23 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 9.86 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . 0.425 HG21 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 13.13 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.02 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.582 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 26.78 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 13.3 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . 0.652 ' HA ' HE22 ' C' ' 125' ' ' GLN . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 29.79 112.615 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 23.15 112.692 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' B' ' 31' ' ' VAL . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 23.84 110.958 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 29.89 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.489 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 72.13 106.524 170.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 73.04 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 90.81 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 43.15 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 61.27 111.193 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.57 110.966 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.84 0.352 . . . . 99.99 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.565 ' H ' HD12 ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 56.3 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 83.9 mm-40 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 93.16 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.44 ' HB ' ' ND2' ' A' ' 127' ' ' ASN . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 11.74 108.489 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 6.91 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 21.95 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.802 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 5.12 106.827 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 9.28 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 8.82 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 12.04 107.905 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 30.41 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.563 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 48.75 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 55.24 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 88.6 110.954 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . 0.436 ' O ' HD21 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 68.93 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 87.15 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 94.05 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 71.87 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 62.96 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 35.73 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 56.22 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 43.42 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' D' ' 29' ' ' PRO . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 94.06 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 81.86 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' C' ' 51' ' ' LEU . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 29.6 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 20.9 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 69.19 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 14.53 107.752 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.42 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.545 HG11 HD11 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 17.7 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 29.53 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 32.22 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 59.66 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.436 HD21 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 97.29 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 76.35 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 37.0 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 34.06 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 39.96 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 16.54 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 9.25 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.802 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 25.23 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 10.6 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 30.38 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' C' ' 11' ' ' PHE . 48.9 t . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 99.99 111.618 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 68.51 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 56.52 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.627 ' HB3' HG21 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 56.59 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 39.21 113.494 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 8.71 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' C' ' 82' ' ' GLY . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 37.06 112.382 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 16.74 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 9.85 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 5.88 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 7.64 110.43 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 20.64 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 13.9 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 8.58 111.414 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 8.54 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 6.56 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.565 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 5.22 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.489 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 28.53 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . 0.425 ' OG ' HG21 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 17.6 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 15.17 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.563 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 24.81 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 29.42 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.652 HE22 ' HA ' ' B' ' 119' ' ' SER . 42.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.545 HD11 HG11 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 59.85 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 41.85 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 38.57 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 24.62 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 24.48 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 68.05 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . 0.415 HD22 ' N ' ' C' ' 132' ' ' ASN . 0.8 OUTLIER -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 76.43 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' D' ' 105' ' ' ILE . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 79.46 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 53.22 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.482 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 19.87 112.494 -165.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 8.43 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 36.9 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.565 HD13 ' HE3' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 4.02 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 7.64 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 5.08 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.806 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 7.19 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 13.41 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.806 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 12.01 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 20.55 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 22.26 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 34.6 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 31.63 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 49.29 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . 0.421 HE22 ' HB2' ' D' ' 124' ' ' PRO . 8.0 tp-100 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.451 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 31.29 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 52.79 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 74.77 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 66.01 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 77.52 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 38.8 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 48.36 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 52.73 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.71 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 82.32 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 96.95 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 82.8 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 44.56 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.562 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 19.48 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 52.2 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 9.25 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 10.79 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 9.72 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 19.36 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 11.33 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.562 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 29.87 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 24.97 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 27.84 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 11.35 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 10.67 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . 0.451 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 7.73 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 11.05 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 5.05 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 21.68 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.437 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.7 tp-100 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.29 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 43.57 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 77.58 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 88.57 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.674 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 88.9 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 95.17 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.638 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 66.02 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 54.11 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 40.76 112.2 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 34.31 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 28.69 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 61.29 110.277 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.506 HG21 HD13 ' D' ' 13' ' ' ILE . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 19.65 110.429 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 13.09 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 10.47 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 6.22 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 10.48 111.592 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 4.16 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 10.22 110.462 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.39 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.664 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 5.37 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 7.06 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 6.71 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 5.08 111.803 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 5.65 110.465 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 10.21 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 6.99 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 18.26 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.421 ' HB2' HE22 ' D' ' 37' ' ' GLN . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 20.06 112.746 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 16.85 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.406 HD13 HG21 ' D' ' 40' ' ' VAL . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 14.84 109.538 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 76.73 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 20.32 109.352 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 28.37 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 32.68 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 69.78 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.168 0.509 . . . . 99.99 111.696 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' HD12 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 87.02 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 27.8 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 12.57 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 37.56 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 5.43 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 6.92 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 5.61 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 12.68 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 32.78 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 57.34 112.655 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 48.36 110.291 -177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 97.85 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 43.33 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 41.53 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 88.8 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 73.87 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' HD11 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.04 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 54.22 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 29.36 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 19.86 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 13.6 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 17.22 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 14.92 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 21.43 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 23.61 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 57.75 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 37' ' ' GLN . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 93.1 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 30.12 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 22.88 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 30.01 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 14.44 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 9.47 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 106' ' ' LEU . 6.9 tp-100 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 20.02 112.343 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 66.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' HE1' HG22 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.512 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.16 0.43 . . . . 99.99 112.16 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 95.56 114.907 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 94.48 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 105' ' ' ILE . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 73.2 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 106' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 48.9 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 94.19 111.459 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 55.88 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.58 HD21 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 21.71 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 15.39 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 9.95 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 20.66 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 7.34 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 15.45 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 4.41 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.432 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 7.34 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.599 HG21 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 7.28 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 4.96 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 48.88 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 26.6 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 17.97 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 8.38 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.459 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 20.1 109.964 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 13.71 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 20.05 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.47 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 56.76 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 62.97 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 56.46 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 77.42 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.489 -0.189 . . . . 93.55 110.489 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 40.88 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 85.25 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.459 HH21 ' HB ' ' A' ' 122' ' ' THR . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 95.33 111.371 -173.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 13.6 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 23.1 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.575 HG21 HD11 ' B' ' 21' ' ' ILE . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 6.51 109.467 174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 19.94 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.575 HD11 HG21 ' B' ' 18' ' ' THR . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 5.14 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 19.25 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 9.84 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 18.09 109.522 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 90.3 m-20 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 49.39 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.604 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.604 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 98.87 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 72.1 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 96.73 108.848 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 67.27 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 66.97 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 35.64 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 74.75 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 43.74 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 89.61 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 85.91 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 76.71 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 98.07 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 57.34 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 21.57 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 62.33 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.696 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 95.32 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 14.84 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 28.15 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 18.14 109.0 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 24.35 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 26.44 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.542 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 56.64 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 62.67 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 81.37 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.503 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 33.32 111.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 25.99 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 18.76 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 16.93 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 12.76 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' B' ' 113' ' ' CYS . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 8.91 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.696 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 33.15 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 11.78 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 39.34 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.495 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 63.88 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 82.93 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 98' ' ' LEU . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 98.2 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.472 ' SD ' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.501 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 71.23 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 59.87 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 71.19 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 50.37 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 36.29 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 87.59 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 37.19 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 13.07 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 10.37 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 12.29 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 8.75 111.142 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 59.14 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.567 ' HB3' HG21 ' B' ' 78' ' ' VAL . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 13.3 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.449 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 9.86 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 13.13 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.02 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 26.78 112.167 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 13.3 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 29.79 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.565 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 23.15 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 23.84 109.09 171.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 29.89 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 72.13 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 73.04 109.029 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 90.81 109.476 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 43.15 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 61.27 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.57 109.89 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.494 HE21 HE22 ' C' ' 14' ' ' GLN . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 56.3 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.494 HE22 HE21 ' C' ' 12' ' ' GLN . 25.9 mm-40 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 93.16 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.47 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 11.74 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.401 ' HB2' ' HA2' ' D' ' 121' ' ' GLY . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.447 HG22 HE22 ' C' ' 80' ' ' GLN . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 6.91 109.059 176.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 21.95 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 5.12 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 9.28 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 8.82 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 12.04 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 30.41 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 48.75 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.719 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 55.24 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 88.6 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 8.2 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 68.93 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 87.15 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.402 ' H ' HD13 ' C' ' 42' ' ' LEU . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 94.05 109.271 171.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 71.87 110.131 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.697 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 62.96 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 35.73 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 56.22 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 43.42 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 94.06 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 81.86 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 29.6 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 20.9 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 69.19 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 14.53 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.42 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.539 HG23 HD13 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 17.7 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 29.53 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 32.22 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 59.66 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 97.29 109.008 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 76.35 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 37.0 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 34.06 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 39.96 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 16.54 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 9.25 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.753 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 25.23 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.447 HE22 HG22 ' C' ' 18' ' ' THR . 8.9 tp-100 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 10.6 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.499 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.535 HD12 HD11 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 30.38 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.484 0.183 . . . . 99.99 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 68.51 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 56.52 111.81 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.464 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 56.59 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.402 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 39.21 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 8.71 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.499 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 37.06 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 16.74 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 9.85 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.599 ' HE2' HG21 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 5.88 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 7.64 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 20.64 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 13.9 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.539 HD13 HG23 ' C' ' 64' ' ' VAL . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 8.58 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 8.54 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 6.56 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.611 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 5.22 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 28.53 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 17.6 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . 0.431 HG23 ' HB3' ' D' ' 17' ' ' TYR . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 15.17 112.904 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.568 ' HE1' HG11 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 24.81 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' C' ' 123' ' ' PHE . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 29.42 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 59.85 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 41.85 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 38.57 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 24.62 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 24.48 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 68.05 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.243 0.761 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 76.43 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.655 HD13 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 79.46 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.591 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 53.22 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.431 ' HB3' HG23 ' C' ' 122' ' ' THR . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 19.87 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 8.43 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 36.9 109.48 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.611 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 4.02 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 7.64 108.749 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.573 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 5.08 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 7.19 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 13.41 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 12.01 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 20.55 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 22.26 109.088 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.527 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 34.6 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 31.63 109.263 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 49.29 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 37' ' ' GLN . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 31.29 112.196 -173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 52.79 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' D' ' 43' ' ' ASP . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 74.77 106.424 169.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 66.01 111.191 -166.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 77.52 109.527 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 38.8 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 48.36 110.401 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 52.73 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.71 108.813 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 82.32 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 96.95 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 82.8 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 44.56 109.664 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 19.48 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 52.2 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 9.25 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 10.79 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 9.72 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 19.36 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 11.33 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 29.87 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 24.97 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 27.84 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 11.35 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.56 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 10.67 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 7.73 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 11.05 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.481 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 5.05 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.555 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 21.68 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.29 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 43.57 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 77.58 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 88.57 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.444 ' H ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 88.9 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 95.17 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.703 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 66.02 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 54.11 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . 0.442 ' HA ' HD22 ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 40.76 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 34.31 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 28.69 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 61.29 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.655 HG21 HD13 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 19.65 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 13.09 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 10.47 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 6.22 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 10.48 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 4.16 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 10.22 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.39 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.548 HD12 HD11 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 5.37 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 7.06 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 6.71 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 5.08 111.541 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.52 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 5.65 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 10.21 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 6.99 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' C' ' 17' ' ' TYR . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 18.26 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.405 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 20.06 113.069 173.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 16.85 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.494 HD13 HG21 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 14.84 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.459 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 76.73 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.548 HD11 HD12 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 20.32 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 28.37 110.401 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 32.68 114.286 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 69.78 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 110.41 -0.218 . . . . 99.99 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.161 -0.311 . . . . 99.99 110.161 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.477 HE22 HG13 ' A' ' 55' ' ' VAL . 47.3 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 87.02 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 27.8 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' NE2' ' A' ' 80' ' ' GLN . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 12.57 109.554 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 37.56 110.244 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.892 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 5.43 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 6.92 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 5.61 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 12.68 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 32.78 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.771 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 57.34 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 48.36 109.154 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 97.85 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.622 HG21 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 43.33 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 41.53 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 88.8 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 73.87 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG13 HE22 ' A' ' 14' ' ' GLN . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.04 106.608 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 98' ' ' LEU . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 54.22 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 29.36 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 19.86 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 13.6 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 17.22 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.659 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 14.92 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 21.43 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 23.61 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 57.75 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 93.1 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 30.12 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 22.88 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 30.01 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 14.44 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.659 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 9.47 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' O ' HD13 ' A' ' 106' ' ' LEU . 8.6 tp-100 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 20.02 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.793 0.664 . . . . 99.99 112.793 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 95.56 114.204 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 94.48 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 73.2 114.271 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.445 ' HD3' HG11 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 48.9 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 94.19 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 55.88 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 21.71 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.431 ' HD1' HD11 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 15.39 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 9.95 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 20.66 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 7.34 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.604 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 15.45 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 4.41 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 7.34 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 7.28 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 4.96 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 48.88 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 26.6 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 17.97 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 8.38 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.42 HG21 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 20.1 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 13.71 108.749 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 20.05 112.693 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 56.76 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 62.97 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 56.46 111.124 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.604 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 77.42 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.499 ' HA ' HG22 ' B' ' 86' ' ' ILE . 16.8 t80 . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 93.55 107.867 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 40.88 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 85.25 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HE ' HG21 ' A' ' 122' ' ' THR . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 95.33 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.757 HD12 HD21 ' D' ' 127' ' ' ASN . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 13.6 107.438 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.423 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 23.1 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 6.51 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 19.94 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.667 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 5.14 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 19.25 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 9.84 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 18.09 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 49.39 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.544 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 98.87 110.345 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' NE2' ' B' ' 37' ' ' GLN . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.522 HG11 HD11 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 72.1 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 96.73 108.377 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 67.27 110.021 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 66.97 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 35.64 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 74.75 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 43.74 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 89.61 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 85.91 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.56 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 76.71 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 98.07 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 57.34 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 21.57 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 62.33 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.752 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 95.32 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 14.84 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 28.15 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 18.14 109.494 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 24.35 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 26.44 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 56.64 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 62.67 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 81.37 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 33.32 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 25.99 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 18.76 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 16.93 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.683 ' SG ' HG23 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 12.76 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 8.91 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 33.15 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 11.78 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 39.34 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 63.88 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.611 ' HB3' HG22 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 82.93 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.512 HD11 HD21 ' B' ' 98' ' ' LEU . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 98.2 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.614 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.614 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.512 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 71.23 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 59.87 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 71.19 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 50.37 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 36.29 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 87.59 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 37.19 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 13.07 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 10.37 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 12.29 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 8.75 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 59.14 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 13.3 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.683 HG23 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 9.86 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 13.13 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.02 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 26.78 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 13.3 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 29.79 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 23.15 112.382 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 23.84 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 29.89 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.522 HD11 HG11 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 72.13 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 73.04 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.636 ' H ' HD23 ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 90.81 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 43.15 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.403 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 61.27 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.57 111.067 -176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.401 ' HE1' ' SG ' ' C' ' 102' ' ' CYS . 55.1 m-85 . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' C' ' 84' ' ' PHE . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 56.3 108.12 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 30.7 mm-40 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 93.16 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 11.74 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' OG1' ' D' ' 122' ' ' THR . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 6.91 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 21.95 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 5.12 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 9.28 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 8.82 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 12.04 108.263 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 30.41 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' C' ' 25' ' ' ALA . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 48.75 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.571 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 55.24 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.504 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 88.6 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 68.93 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 87.15 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 94.05 108.765 173.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.643 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 71.87 108.255 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 62.96 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 35.73 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 56.22 110.312 -176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 43.42 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.518 HD11 HD12 ' C' ' 83' ' ' ILE . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 94.06 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 81.86 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 29.6 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 20.9 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 69.19 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 14.53 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.42 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 114' ' ' ILE . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 17.7 108.657 -172.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 29.53 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 32.22 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 59.66 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.557 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 97.29 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 76.35 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 37.0 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 34.06 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 39.96 111.815 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 16.54 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 9.25 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 25.23 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.9 tp-100 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 10.6 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 30.38 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' C' ' 13' ' ' ILE . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.965 0.412 . . . . 99.99 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.436 ' O ' ' HD3' ' C' ' 103' ' ' PRO . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 68.51 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 56.52 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 56.59 113.053 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' C' ' 98' ' ' LEU . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 39.21 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.477 HD12 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 8.71 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 37.06 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 16.74 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 9.85 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 5.88 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 7.64 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 20.64 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 13.9 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.649 HG21 HG21 ' C' ' 64' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 8.58 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . 0.46 HG23 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 8.54 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 6.56 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.561 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 5.22 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 114' ' ' ILE . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 28.53 110.124 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 17.6 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . 0.46 HG23 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 15.17 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 24.81 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 29.42 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 59.85 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 41.85 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 38.57 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 24.62 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 24.48 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 68.05 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 76.43 108.377 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.657 HD13 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 79.46 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 53.22 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HB3' HG23 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 19.87 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 8.43 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 36.9 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 4.02 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 7.64 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 5.08 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 7.19 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 13.41 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 12.01 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.428 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 20.55 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 22.26 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 34.6 110.973 -170.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.455 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.636 HE21 ' HA ' ' D' ' 33' ' ' GLN . 0.0 OUTLIER -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 31.63 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 49.29 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 31.29 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.483 HG21 HD13 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 52.79 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 74.77 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.43 HD23 HD11 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 66.01 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 77.52 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 38.8 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 48.36 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 52.73 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.71 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 82.32 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 96.95 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' D' ' 87' ' ' ALA . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 82.8 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 44.56 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.514 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 19.48 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.43 HD11 HD23 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 52.2 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 9.25 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 10.79 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 9.72 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 19.36 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 11.33 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.501 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 29.87 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 24.97 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 27.84 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 11.35 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.501 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 10.67 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 7.73 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 11.05 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 5.05 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 21.68 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.462 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.29 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 43.57 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 77.58 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 88.57 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.492 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 88.9 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 95.17 111.796 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 66.02 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 54.11 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 40.76 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 34.31 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 28.69 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.471 HD21 ' HA ' ' D' ' 132' ' ' ASN . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 61.29 111.521 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.657 HG21 HD13 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 19.65 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.462 HD13 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 13.09 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 10.47 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 6.22 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 10.48 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 4.16 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 10.22 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.39 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.426 HG12 ' SG ' ' D' ' 76' ' ' CYS . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 5.37 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 7.06 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 6.71 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 5.08 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 5.65 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 10.21 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 6.99 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' C' ' 17' ' ' TYR . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 18.26 111.595 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 20.06 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 16.85 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.483 HD13 HG21 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 14.84 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.757 HD21 HD12 ' B' ' 16' ' ' ILE . 7.9 t-20 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 76.73 108.05 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 20.32 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 28.37 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 32.68 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 69.78 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD21 ' D' ' 104' ' ' ASN . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.627 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.297 0.57 . . . . 99.99 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.63 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' HG21 ' A' ' 83' ' ' ILE . 30.3 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 87.02 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 27.8 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 83' ' ' ILE . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 12.57 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 37.56 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 5.43 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 6.92 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HB2' ' HE3' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 5.61 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 12.68 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 32.78 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.486 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 57.34 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 48.36 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 97.85 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 43.33 109.641 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 41.53 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 88.8 109.691 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 73.87 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.04 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 98' ' ' LEU . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 54.22 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 29.36 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 19.86 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 13.6 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 17.22 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 14.92 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 21.43 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 23.61 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 57.75 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 93.1 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 30.12 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 22.88 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 30.01 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 14.44 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 9.47 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 20.02 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.525 HG21 ' NE2' ' A' ' 14' ' ' GLN . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 66.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.6 pp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 95.56 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 94.48 113.255 -167.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 73.2 111.483 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD3' HG11 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 48.9 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 94.19 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 55.88 110.952 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 21.71 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.469 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 15.39 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 9.95 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 20.66 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 7.34 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 15.45 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 4.41 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 7.34 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.567 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 7.28 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 4.96 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 48.88 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 26.6 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 17.97 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 8.38 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 20.1 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 13.71 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.486 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 20.05 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' HG11 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 56.76 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 62.97 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 56.46 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 77.42 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 50.9 t80 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 93.55 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 40.88 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 85.25 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 95.33 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 13.6 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 23.1 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.485 HG21 HD11 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 6.51 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 19.94 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 113' ' ' CYS . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 5.14 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 19.25 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 9.84 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 18.09 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 49.39 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.869 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.616 ' HB3' HD13 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 98.87 110.254 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 72.1 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 96.73 110.688 -172.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.512 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 67.27 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.768 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 66.97 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 35.64 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 74.75 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 43.74 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 89.61 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 85.91 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 76.71 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 98.07 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.714 ' HB2' HD11 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.429 HG11 HD22 ' B' ' 98' ' ' LEU . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 57.34 109.237 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 21.57 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 62.33 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.768 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 95.32 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 14.84 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 28.15 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 18.14 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 24.35 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 26.44 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 56.64 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 62.67 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 81.37 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 33.32 111.755 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 25.99 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.463 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 18.76 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 16.93 106.748 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 12.76 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' B' ' 113' ' ' CYS . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 8.91 108.924 176.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 33.15 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 11.78 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 39.34 108.336 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 63.88 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 82.93 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 98.2 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 71.23 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 59.87 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 71.19 112.042 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 50.37 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 36.29 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 87.59 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 37.19 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 13.07 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 10.37 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 12.29 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 8.75 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 59.14 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 13.3 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 9.86 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 13.13 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.02 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 26.78 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 114' ' ' ILE . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 13.3 110.138 175.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 29.79 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.447 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 23.15 112.503 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 23.84 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 29.89 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.524 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 72.13 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . 0.571 HD22 ' H ' ' B' ' 127' ' ' ASN . 0.1 OUTLIER -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 73.04 107.97 168.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 90.81 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 43.15 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 61.27 111.508 173.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.57 109.766 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.939 -0.393 . . . . 99.99 109.939 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 56.3 108.352 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.701 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 93.16 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 11.74 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 6.91 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 21.95 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 5.12 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.629 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 9.28 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 8.82 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 12.04 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 30.41 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.63 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 48.75 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 55.24 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 88.6 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.583 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 68.93 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 87.15 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 94.05 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.499 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 71.87 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 62.96 111.092 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 35.73 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 56.22 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 43.42 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.449 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.548 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 94.06 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 81.86 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 29.6 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 20.9 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 69.19 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.744 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 14.53 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.499 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.42 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 17.7 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 29.53 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 32.22 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 59.66 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.621 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 97.29 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 76.35 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 37.0 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 34.06 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 39.96 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 16.54 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 9.25 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 25.23 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 10.6 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.51 HD12 HD11 ' C' ' 51' ' ' LEU . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 30.38 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.925 0.393 . . . . 99.99 111.062 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.532 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 68.51 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 56.52 111.978 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 56.59 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.562 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 39.21 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 8.71 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.562 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 37.06 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 16.74 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' C' ' 111' ' ' ARG . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 9.85 113.938 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.567 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 5.88 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.508 ' HA ' HG11 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 7.64 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 20.64 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 13.9 110.823 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 8.58 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 8.54 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 6.56 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' C' ' 23' ' ' PHE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 5.22 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 28.53 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 17.6 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 15.17 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 24.81 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 29.42 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 59.85 109.307 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 41.85 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.729 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 38.57 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 24.62 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 24.48 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 68.05 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . 0.505 HG23 HE22 ' D' ' 12' ' ' GLN . 98.0 m . . . . . 0 C--O 1.237 0.425 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 76.43 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . 0.505 HE22 HG23 ' D' ' 10' ' ' THR . 23.4 mp0 -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.449 HD13 HG21 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 79.46 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 53.22 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 19.87 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . 0.404 HG21 HD11 ' D' ' 21' ' ' ILE . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 8.43 109.986 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.63 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 36.9 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.453 HD13 ' HE3' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 4.02 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 7.64 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 5.08 104.426 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 7.19 109.219 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 13.41 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 12.01 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 20.55 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 22.26 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' D' ' 73' ' ' ALA . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 34.6 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 31.63 109.037 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 49.29 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 31.29 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 52.79 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 74.77 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.446 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 66.01 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 77.52 109.897 173.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 38.8 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 48.36 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 52.73 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HA ' ' D' ' 52' ' ' ALA . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.71 110.261 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 82.32 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' D' ' 50' ' ' GLN . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 96.95 115.606 -154.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 82.8 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 44.56 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.625 HG12 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 19.48 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 52.2 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 9.25 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 10.79 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 9.72 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 19.36 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 11.33 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 29.87 111.142 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 24.97 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 27.84 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 11.35 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.574 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 10.67 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 7.73 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 11.05 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 5.05 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 21.68 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.423 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.29 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.5 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 43.57 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 77.58 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.706 HG12 HD11 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 88.57 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . 0.414 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.706 HD11 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . 0.589 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 88.9 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 95.17 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 66.02 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 54.11 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 40.76 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.536 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 34.31 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 28.69 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.44 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 61.29 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 19.65 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 80' ' ' GLN . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 13.09 111.696 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 10.47 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 6.22 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 10.48 111.384 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . 0.421 ' CB ' HG21 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 4.16 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 10.22 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.39 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.671 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 5.37 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 7.06 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 6.71 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 5.08 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 5.65 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 10.21 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 6.99 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 18.26 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . 0.451 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.57 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 20.06 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 16.85 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 14.84 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 76.73 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 20.32 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 28.37 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 32.68 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 69.78 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.446 ' HD1' HD13 ' D' ' 44' ' ' LEU . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.464 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.464 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 . . . . . 0 C--O 1.24 0.581 0 N-CA-C 109.811 -0.44 . . . . 99.99 109.811 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 16' ' ' ILE . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 87.02 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 HD13 ' A' ' 13' ' ' ILE . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 27.8 108.959 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 12.57 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 37.56 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 5.43 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 6.92 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 5.61 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 12.68 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 32.78 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' HD22 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 57.34 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 48.36 110.438 -175.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 97.85 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.86 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.656 ' H ' HD23 ' A' ' 44' ' ' LEU . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 43.33 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 41.53 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 88.8 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 73.87 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.558 ' HB2' HD11 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.04 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 54.22 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 29.36 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 19.86 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 13.6 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.86 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 17.22 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 14.92 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 21.43 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 23.61 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 57.75 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 93.1 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.483 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 30.12 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 22.88 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 30.01 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 14.44 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 9.47 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 20.02 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.619 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 111.933 0.346 . . . . 99.99 111.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 95.56 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 94.48 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 73.2 113.331 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 48.9 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 94.19 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 55.88 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.619 HD21 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 21.71 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 15.39 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 9.95 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 20.66 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 7.34 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.59 HH12 HD12 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 15.45 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 4.41 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 7.34 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 7.28 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 4.96 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.649 ' SD ' HG21 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 48.88 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 26.6 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 17.97 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 8.38 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 20.1 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 13.71 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 20.05 112.39 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 56.76 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 62.97 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 56.46 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 77.42 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.116 -0.327 . . . . 93.55 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.72 HG12 HG21 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 40.88 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 85.25 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.411 HH21 HG23 ' A' ' 122' ' ' THR . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 95.33 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 13.6 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 23.1 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 6.51 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 19.94 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 5.14 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 19.25 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 9.84 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 18.09 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 49.39 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 98.87 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 72.1 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.518 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 96.73 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.73 HD23 HD21 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 67.27 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 66.97 110.439 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 35.64 109.887 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 74.75 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 43.74 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 89.61 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 85.91 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 76.71 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 98.07 107.776 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.475 HG21 HD12 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 57.34 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 21.57 108.829 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.73 HD21 HD23 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 62.33 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 95.32 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 14.84 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 28.15 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.753 HG21 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 18.14 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 24.35 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 26.44 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 56.64 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.517 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 62.67 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 81.37 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 33.32 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 25.99 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 18.76 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 16.93 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 12.76 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.634 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 8.91 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 33.15 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 11.78 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 39.34 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.494 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 63.88 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 82.93 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.577 HD13 HD22 ' B' ' 98' ' ' LEU . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 98.2 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.577 HD22 HD13 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 71.23 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 59.87 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 71.19 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 50.37 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 36.29 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 87.59 112.468 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.72 HG21 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 37.19 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 13.07 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 10.37 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 12.29 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 8.75 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 59.14 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 13.3 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.753 HG21 HG21 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 9.86 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 13.13 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.02 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.442 ' HE1' HD12 ' B' ' 21' ' ' ILE . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 26.78 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 13.3 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 29.79 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 23.15 112.267 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 23.84 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.545 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 29.89 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 72.13 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 73.04 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 90.81 110.557 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 43.15 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 61.27 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.57 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.6 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 56.3 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 93.16 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.449 HH11 HG21 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 11.74 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 6.91 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 21.95 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 5.12 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 9.28 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.441 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 8.82 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 12.04 106.91 166.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 30.41 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.562 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 48.75 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 55.24 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 88.6 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 68.93 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 87.15 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 94.05 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 71.87 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 62.96 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 35.73 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 56.22 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 43.42 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 94.06 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 81.86 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD11 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 29.6 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 20.9 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 69.19 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 14.53 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.42 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 17.7 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 29.53 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 32.22 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 59.66 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 71' ' ' GLU . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 97.29 109.464 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 76.35 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 37.0 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 34.06 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 39.96 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 16.54 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' C' ' 114' ' ' ILE . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' C' ' 110' ' ' ALA . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 9.25 108.804 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 25.23 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 10.6 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.497 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' C' ' 51' ' ' LEU . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 30.38 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.724 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.125 0.417 . . . . 99.99 112.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 68.51 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 56.52 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 56.59 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 39.21 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.59 HD12 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 8.71 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.497 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 37.06 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 16.74 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 9.85 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 5.88 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 7.64 111.422 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 20.64 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 13.9 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 8.58 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 8.54 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 6.56 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.557 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 5.22 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 28.53 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 17.6 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.407 HH12 ' HG2' ' D' ' 112' ' ' GLU . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 15.17 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.441 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 24.81 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 29.42 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.545 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 59.85 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 41.85 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 38.57 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 24.62 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 24.48 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 68.05 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . 0.767 ' HB ' HE22 ' D' ' 12' ' ' GLN . 32.6 p . . . . . 0 CA--C 1.546 0.79 0 CA-C-O 120.388 0.137 . . . . 99.99 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 76.43 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . 0.767 HE22 ' HB ' ' D' ' 10' ' ' THR . 1.8 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 79.46 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 53.22 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' D' ' 19' ' ' LYS . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 19.87 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 8.43 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 36.9 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.557 HG21 ' HE2' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 4.02 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 7.64 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 5.08 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 7.19 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 13.41 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 12.01 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 20.55 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 22.26 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 34.6 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 31.63 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 49.29 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 31.29 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 52.79 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 41' ' ' LYS . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.672 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 74.77 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 66.01 109.757 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 77.52 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 38.8 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 48.36 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 52.73 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.71 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 82.32 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 96.95 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 82.8 105.352 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 44.56 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 19.48 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' D' ' 103' ' ' PRO . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 52.2 108.618 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.672 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 9.25 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 10.79 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 9.72 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 19.36 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 11.33 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.516 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 29.87 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 24.97 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 27.84 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 11.35 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.516 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 10.67 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 7.73 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 11.05 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.434 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . 0.412 HG22 HG23 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 5.05 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 21.68 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' D' ' 106' ' ' LEU . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.29 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 43.57 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 77.58 109.649 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.424 HG12 HD21 ' D' ' 98' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 88.57 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.499 HG12 ' HG3' ' D' ' 94' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.499 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 88.9 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 95.17 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.628 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 66.02 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 54.11 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 40.76 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 34.31 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.428 ' HB3' HD13 ' D' ' 60' ' ' LEU . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 28.69 113.448 169.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 61.29 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 19.65 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 13.09 112.039 -173.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 10.47 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 6.22 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 10.48 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 4.16 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' D' ' 128' ' ' LEU . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 10.22 111.206 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . 0.407 ' HG2' HH12 ' C' ' 120' ' ' ARG . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.39 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.54 HD12 HD11 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 5.37 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 7.06 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 6.71 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 5.08 111.775 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 5.65 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 10.21 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 6.99 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . 0.449 HG21 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 18.26 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 20.06 112.219 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 16.85 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 14.84 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 76.73 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.54 HD11 HD12 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 20.32 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 28.37 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 32.68 112.307 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 69.78 111.412 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 CA--C 1.551 0.996 0 CA-C-O 121.269 0.557 . . . . 99.99 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' HD12 ' A' ' 83' ' ' ILE . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 87.02 109.42 -168.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 27.8 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.63 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 12.57 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 37.56 110.001 171.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 5.43 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 6.92 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 5.61 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 12.68 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 32.78 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 11.1 m170 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.792 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 57.34 112.639 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 48.36 109.319 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 97.85 110.095 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 131' ' ' VAL . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 43.33 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 41.53 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 88.8 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 73.87 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.71 ' HB2' HD11 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.04 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 54.22 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 29.36 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 19.86 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 13.6 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 17.22 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.714 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 14.92 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 21.43 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 23.61 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 57.75 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 93.1 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 30.12 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 22.88 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 30.01 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 14.44 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.714 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 9.47 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 20.02 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HD3' ' A' ' 15' ' ' ARG . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 66.87 108.421 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.562 0.578 . . . . 99.99 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 95.56 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 94.48 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 73.2 114.629 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 48.9 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 94.19 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 55.88 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 21.71 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 15.39 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 9.95 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 20.66 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 7.34 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 15.45 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 4.41 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 7.34 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 7.28 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 4.96 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 48.88 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 26.6 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 17.97 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 8.38 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.535 HG22 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 20.1 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 13.71 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 20.05 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 56.76 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.435 HD22 HD12 ' C' ' 16' ' ' ILE . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.536 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 62.97 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 56.46 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 77.42 111.358 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 44' ' ' LEU . 3.8 p . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.737 -0.468 . . . . 93.55 109.737 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.551 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 40.88 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 85.25 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.535 HH21 HG22 ' A' ' 122' ' ' THR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 95.33 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.603 HD12 HD22 ' D' ' 127' ' ' ASN . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 13.6 107.87 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 23.1 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.589 HG21 HD11 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 6.51 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 19.94 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.589 HD11 HG21 ' B' ' 18' ' ' THR . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 5.14 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 19.25 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 9.84 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 18.09 107.9 170.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 50.7 m-80 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 49.39 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 27' ' ' ASN . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 98.87 110.897 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 72.1 110.008 -176.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.626 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 96.73 111.092 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 67.27 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 66.97 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 35.64 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 74.75 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 43.74 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 89.61 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 85.91 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 76.71 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 98.07 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD11 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.517 HG11 HD22 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 57.34 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 21.57 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 62.33 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 95.32 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 14.84 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 28.15 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 18.14 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.626 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 24.35 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 26.44 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.538 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 56.64 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 62.67 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 81.37 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 33.32 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.538 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 25.99 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 18.76 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 16.93 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 12.76 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' B' ' 113' ' ' CYS . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 8.91 108.475 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 33.15 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 11.78 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 39.34 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 63.88 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 82.93 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 98.2 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.58 HD12 ' SD ' ' B' ' 94' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.58 ' SD ' HD12 ' B' ' 89' ' ' ILE . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.544 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.517 HD22 HG11 ' B' ' 58' ' ' VAL . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 71.23 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 59.87 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 71.19 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 50.37 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 36.29 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 87.59 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 37.19 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 13.07 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 10.37 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 12.29 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 8.75 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 59.14 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 117' ' ' MET . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 13.3 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.559 HG21 HG21 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 9.86 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 13.13 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.02 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 26.78 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 13.3 110.288 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 29.79 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.437 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 17' ' ' TYR . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 23.15 111.917 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 23.84 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 29.89 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 73.04 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 90.81 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 43.15 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.643 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 61.27 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.57 110.115 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 . . . . . 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 56.3 108.731 174.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 93.16 111.977 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.435 HD12 HD22 ' A' ' 127' ' ' ASN . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 11.74 109.331 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.504 HG22 HE22 ' C' ' 80' ' ' GLN . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 6.91 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 21.95 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 5.12 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 9.28 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 8.82 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 12.04 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 30.41 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 48.75 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.466 HG23 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 55.24 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.772 ' HB2' ' HZ2' ' C' ' 34' ' ' LYS . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 88.6 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 68.93 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 87.15 109.71 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.644 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 94.05 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.616 HD21 HD11 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 71.87 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 62.96 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 35.73 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 56.22 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 43.42 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 94.06 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 81.86 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.637 ' HB2' HD11 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 29.6 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 20.9 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.616 HD11 HD21 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 69.19 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 14.53 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.42 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 17.7 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.644 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 29.53 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 32.22 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 59.66 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 97.29 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 76.35 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 37.0 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 34.06 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 39.96 110.586 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 16.54 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' C' ' 113' ' ' CYS . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 9.25 109.827 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.7 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 25.23 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.504 HE22 HG22 ' C' ' 18' ' ' THR . 8.0 tp-100 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 10.6 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 30.38 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . 0.616 HD12 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.616 ' SG ' HD12 ' C' ' 86' ' ' ILE . 52.4 t . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.057 0.456 . . . . 99.99 111.676 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 68.51 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 56.52 110.306 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 56.59 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 39.21 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' C' ' 105' ' ' ILE . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 8.71 111.862 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 37.06 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 16.74 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 9.85 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 5.88 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 7.64 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 20.64 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.437 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' C' ' 18' ' ' THR . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 13.9 112.862 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.459 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 8.58 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 8.54 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 6.56 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.472 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 5.22 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 28.53 109.891 173.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 17.6 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 15.17 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.436 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 24.81 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 29.42 110.935 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 59.85 107.327 168.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 41.85 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 38.57 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 24.62 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 24.48 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 68.05 109.128 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' D' ' 85' ' ' SER . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 76.43 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.437 HD13 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 79.46 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 53.22 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.665 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 19.87 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 8.43 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 36.9 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 4.02 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 7.64 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 5.08 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 7.19 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 13.41 112.543 -170.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 12.01 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 20.55 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 22.26 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 34.6 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 31.63 109.663 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 49.29 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 31.29 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 52.79 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.474 HD11 HG13 ' D' ' 62' ' ' VAL . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 74.77 109.555 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 66.01 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 77.52 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 38.8 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 48.36 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 52.73 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.71 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 82.32 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 96.95 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 82.8 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 44.56 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.476 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 19.48 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 52.2 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.474 HG13 HD11 ' D' ' 42' ' ' LEU . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 9.25 107.424 167.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 10.79 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 9.72 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 19.36 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 11.33 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.573 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 29.87 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 24.97 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 27.84 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 11.35 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.573 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 10.67 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 7.73 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 11.05 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 5.05 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 21.68 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.29 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 43.57 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.526 ' HA ' HG22 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 77.58 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.45 ' N ' HD13 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 88.57 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 88.9 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 95.17 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 66.02 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 54.11 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 40.76 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' D' ' 11' ' ' PHE . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 34.31 114.1 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 28.69 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 61.29 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.437 HG21 HD13 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 19.65 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 13.09 111.746 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 10.47 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 6.22 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 10.48 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 4.16 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 10.22 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.39 111.262 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.429 ' O ' HG23 ' D' ' 118' ' ' VAL . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 5.37 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 7.06 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 6.71 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 5.08 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 5.65 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 10.21 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 6.99 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 18.26 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 20.06 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 16.85 111.458 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 14.84 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.603 HD22 HD12 ' B' ' 16' ' ' ILE . 12.5 m120 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 76.73 109.587 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 20.32 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 28.37 110.692 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 32.68 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 69.78 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.437 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.037 0.446 . . . . 99.99 110.603 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' C' ' 129' ' ' ALA . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.011 0.434 . . . . 99.99 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 105' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 87.02 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 HG21 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 27.8 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.419 HG21 ' SG ' ' A' ' 113' ' ' CYS . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 12.57 109.416 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 37.56 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 5.43 106.668 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 6.92 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 5.61 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 12.68 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 32.78 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 57.34 113.608 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 48.36 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 97.85 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.735 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 43.33 109.708 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 41.53 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 88.8 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 73.87 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 57' ' ' GLU . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 51' ' ' LEU . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.04 109.918 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 54.22 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 29.36 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 19.86 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.831 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 13.6 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 17.22 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 14.92 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 21.43 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 23.61 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 57.75 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 93.1 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 30.12 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 22.88 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 30.01 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 76' ' ' CYS . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 14.44 108.455 171.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.684 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 9.47 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 20.02 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HD3' ' A' ' 15' ' ' ARG . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 66.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.378 0.133 . . . . 99.99 111.225 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 95.56 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 94.48 111.813 -175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 73.2 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 48.9 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 94.19 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 13' ' ' ILE . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 55.88 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 21.71 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 15.39 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 9.95 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 20.66 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 7.34 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 15.45 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 18' ' ' THR . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 4.41 111.322 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 7.34 109.863 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.518 HG21 ' HE2' ' C' ' 109' ' ' TYR . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 7.28 111.882 -175.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 4.96 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 48.88 112.733 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 26.6 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 17.97 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.469 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 8.38 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.419 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 20.1 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 13.71 109.09 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 20.05 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.421 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 56.76 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 62.97 113.009 -164.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 56.46 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.537 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 77.42 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.891 -0.041 . . . . 93.55 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.45 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 14.3 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 40.88 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 85.25 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 95.33 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 13.6 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 23.1 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.419 ' H ' ' HA2' ' A' ' 121' ' ' GLY . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 6.51 110.122 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 19.94 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 5.14 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 19.25 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 9.84 107.242 167.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.66 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 18.09 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 86.9 m-20 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 49.39 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.414 HG12 ' O ' ' B' ' 28' ' ' ALA . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 98.87 111.276 -174.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 72.1 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.515 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 96.73 110.86 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 67.27 109.247 172.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 66.97 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 35.64 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 74.75 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 43.74 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 89.61 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 85.91 110.481 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 76.71 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 98.07 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.813 HG11 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 57.34 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 21.57 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 62.33 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.75 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 95.32 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 14.84 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 28.15 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 18.14 109.207 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 24.35 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 26.44 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.53 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 56.64 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 62.67 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 81.37 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 33.32 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.53 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 25.99 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 18.76 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 16.93 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 12.76 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' B' ' 113' ' ' CYS . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 8.91 110.229 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 33.15 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 11.78 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 39.34 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 63.88 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.45 ' OG ' ' HG2' ' B' ' 12' ' ' GLN . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 82.93 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 98.2 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' B' ' 94' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.615 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.813 ' HB2' HG11 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 71.23 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 59.87 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 71.19 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.463 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 50.37 111.855 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 36.29 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 87.59 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 105' ' ' ILE . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 37.19 109.505 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 13.07 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 10.37 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 12.29 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 8.75 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 59.14 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 117' ' ' MET . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 13.3 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.561 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 9.86 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 13.13 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.02 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 26.78 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 13.3 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 29.79 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 23.15 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 23.84 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 29.89 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.665 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 72.13 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 73.04 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 90.81 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 43.15 110.082 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 61.27 111.078 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.57 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 53.7 t30 . . . . . 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.238 0.459 0 N-CA-C 108.082 -1.081 . . . . 99.99 108.082 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.53 HG13 ' HD2' ' C' ' 84' ' ' PHE . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 56.3 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 93.16 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 11.74 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.56 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 6.91 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 21.95 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.792 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 5.12 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 9.28 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 8.82 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 12.04 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 30.41 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.676 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 48.75 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 55.24 113.413 -172.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.419 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 88.6 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 68.93 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 87.15 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.51 HD22 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 94.05 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 71.87 109.796 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 62.96 111.136 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 35.73 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 56.22 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 43.42 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 94.06 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 81.86 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.554 ' HB3' ' HB2' ' C' ' 49' ' ' SER . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.43 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 29.6 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 20.9 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 69.19 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 14.53 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.42 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.525 HG21 HG21 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 17.7 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 29.53 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 32.22 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 59.66 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 97.29 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 76.35 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 37.0 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 34.06 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 39.96 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.434 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 16.54 106.633 -175.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 9.25 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 25.23 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.441 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.3 tp-100 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 10.6 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.56 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 30.38 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 109.707 -0.479 . . . . 99.99 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 68.51 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 56.52 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 56.59 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 39.21 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 8.71 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 37.06 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 16.74 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 9.85 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.518 ' HE2' HG21 ' A' ' 115' ' ' THR . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 5.88 110.941 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 7.64 110.489 174.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 20.64 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.456 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 13.9 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.525 HG21 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 8.58 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . 0.777 HG22 HE21 ' C' ' 125' ' ' GLN . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 8.54 112.0 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 6.56 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.576 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 5.22 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 28.53 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 17.6 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 15.17 113.164 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 24.81 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 29.42 111.911 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.777 HE21 HG22 ' C' ' 115' ' ' THR . 12.7 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 59.85 107.702 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.66 HD22 HG21 ' C' ' 115' ' ' THR . 0.1 OUTLIER -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 41.85 106.909 -176.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 38.57 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 24.62 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 24.48 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 68.05 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.69 0 CA-C-O 120.783 0.325 . . . . 99.99 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.532 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 76.43 108.519 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.4 HG12 ' HD2' ' D' ' 84' ' ' PHE . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 79.46 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . 0.419 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 53.22 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.676 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 19.87 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 8.43 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 36.9 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 4.02 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 7.64 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 5.08 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 7.19 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 13.41 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 12.01 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 20.55 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 22.26 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 34.6 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 31.63 109.61 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 49.29 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 31.29 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 52.79 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 74.77 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 66.01 109.538 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 77.52 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 38.8 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 48.36 111.486 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 52.73 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.71 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 82.32 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 96.95 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 82.8 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 44.56 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.533 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 19.48 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 52.2 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 9.25 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 10.79 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 9.72 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 19.36 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 11.33 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.558 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 29.87 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 24.97 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 27.84 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 11.35 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 10.67 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 7.73 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 11.05 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.642 ' SG ' HG23 ' D' ' 114' ' ' ILE . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 5.05 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.643 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 36.3 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 21.68 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.459 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.29 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 43.57 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 77.58 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.506 HG12 HD11 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 88.57 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.506 HD11 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.461 ' HA ' HD12 ' D' ' 89' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 88.9 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 95.17 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 66.02 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 54.11 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 40.76 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 34.31 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 28.69 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 61.29 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 19.65 109.78 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 80' ' ' GLN . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 13.09 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 10.47 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 6.22 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 10.48 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 4.16 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 10.22 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . 0.422 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.39 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.642 HG23 ' SG ' ' D' ' 76' ' ' CYS . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 5.37 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 7.06 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 6.71 110.494 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 5.08 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' D' ' 123' ' ' PHE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 5.65 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 10.21 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.456 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 6.99 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 18.26 112.162 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' D' ' 118' ' ' VAL . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 20.06 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 16.85 111.627 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 14.84 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 76.73 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 20.32 111.66 -168.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 28.37 110.702 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 32.68 113.506 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 69.78 110.396 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . 0.637 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.51 ' HE3' HD22 ' C' ' 42' ' ' LEU . 72.9 t-105 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.877 -0.416 . . . . 99.99 109.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 110.036 -0.357 . . . . 99.99 110.036 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 87.02 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 27.8 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 12.57 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 37.56 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 5.43 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 6.92 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 5.61 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 12.68 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 32.78 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.709 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HG2' HG23 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 11.3 m170 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' NZ ' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 57.34 112.933 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 48.36 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 97.85 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.706 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 43.33 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 41.53 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 88.8 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 73.87 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.04 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 54.22 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 29.36 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 19.86 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 13.6 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 17.22 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 14.92 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 21.43 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 23.61 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 57.75 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.634 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 93.1 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 30.12 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 22.88 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 30.01 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 14.44 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 9.47 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.747 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 20.02 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 66.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' O ' HG21 ' A' ' 46' ' ' THR . 6.7 mp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.449 -0.204 . . . . 99.99 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 95.56 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 94.48 112.086 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.648 ' HB3' HG21 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 73.2 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 48.9 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 94.19 111.921 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 55.88 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 21.71 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 15.39 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 9.95 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 20.66 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 7.34 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.56 HH12 HD12 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 15.45 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 4.41 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.484 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 7.34 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 7.28 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 4.96 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 48.88 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 26.6 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 17.97 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 8.38 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.467 HG21 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 20.1 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 13.71 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 20.05 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 56.76 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 62.97 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 56.46 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 77.42 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.528 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 93.55 108.506 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.462 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.408 HD11 HD13 ' B' ' 105' ' ' ILE . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 40.88 107.624 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.478 HE22 HG13 ' B' ' 55' ' ' VAL . 51.5 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 85.25 111.097 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.467 ' HE ' HG21 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 95.33 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 13.6 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 23.1 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 6.51 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 19.94 111.878 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 5.14 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 19.25 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 9.84 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 18.09 107.757 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.45 ' O ' HG13 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 49.39 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.45 HG13 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.607 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 98.87 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 72.1 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 96.73 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.598 HD23 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 67.27 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.684 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 66.97 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 35.64 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 74.75 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 43.74 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 89.61 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 85.91 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.478 HG13 HE22 ' B' ' 14' ' ' GLN . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 76.71 108.143 175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 98.07 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 57.34 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.432 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 21.57 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.598 HD21 HD23 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 62.33 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.684 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 95.32 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 14.84 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 28.15 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 18.14 110.067 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 24.35 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 26.44 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 56.64 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 62.67 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 81.37 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 33.32 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 25.99 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 18.76 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 16.93 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 12.76 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' B' ' 110' ' ' ALA . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 8.91 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.53 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 33.15 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.591 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 11.78 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 39.34 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 63.88 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 82.93 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 98.2 110.329 -169.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.459 ' HE1' HD11 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 71.23 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . 0.405 ' N ' HD12 ' B' ' 98' ' ' LEU . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 59.87 112.553 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 71.19 111.967 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 50.37 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 36.29 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.653 ' HB2' HD21 ' B' ' 132' ' ' ASN . 47.7 t-20 -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 87.59 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.482 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 37.19 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 13.07 111.919 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.508 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 10.37 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 12.29 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 8.75 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 59.14 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 13.3 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.663 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 9.86 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 13.13 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.02 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 26.78 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 13.3 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 29.79 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 23.15 112.813 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 23.84 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 29.89 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.611 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.429 HD11 HG11 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 72.13 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 73.04 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.62 HD11 HD12 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 90.81 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 43.15 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 61.27 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.57 111.221 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' B' ' 104' ' ' ASN . 14.5 m120 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' C' ' 84' ' ' PHE . 46.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 56.3 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.658 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 93.16 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.424 HG23 HD22 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 11.74 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 6.91 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 21.95 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 5.12 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 9.28 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 8.82 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 12.04 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 30.41 111.537 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 48.75 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 55.24 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 88.6 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 68.93 110.09 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 87.15 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.401 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 94.05 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.684 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 71.87 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 62.96 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 35.73 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 56.22 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 43.42 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.604 HD11 HD12 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 94.06 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 81.86 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 29.6 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 20.9 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.544 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 69.19 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 14.53 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.684 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.42 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.558 HG23 HD13 ' C' ' 114' ' ' ILE . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 17.7 108.115 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 29.53 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 32.22 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 59.66 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.58 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 97.29 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 76.35 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 37.0 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 34.06 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 39.96 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.449 HD23 HG23 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 16.54 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.554 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 9.25 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 25.23 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 10.6 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 30.38 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.981 0.42 . . . . 99.99 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 68.51 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 56.52 110.796 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 56.59 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 39.21 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . 0.621 HD21 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.56 HD12 HH12 ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 8.71 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.544 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 37.06 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 16.74 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 9.85 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 5.88 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 7.64 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 20.64 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 13.9 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.558 HD13 HG23 ' C' ' 64' ' ' VAL . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 8.58 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 8.54 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 6.56 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.486 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 5.22 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 28.53 109.652 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 17.6 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 15.17 112.608 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 24.81 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 29.42 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.488 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 59.85 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 41.85 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 38.57 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 24.62 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 24.48 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 68.05 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' C' ' 104' ' ' ASN . 44.5 m-85 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.403 -0.962 . . . . 99.99 108.403 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.419 ' HD2' HG22 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 76.43 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.678 HD13 HG21 ' D' ' 105' ' ' ILE . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 79.46 110.888 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.519 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 53.22 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.468 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 19.87 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 8.43 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 36.9 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.486 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 4.02 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 7.64 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.612 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 5.08 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 7.19 108.433 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 13.41 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.404 ' O ' HG22 ' D' ' 31' ' ' VAL . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 12.01 113.745 -170.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 20.55 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 22.26 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 27' ' ' ASN . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 34.6 113.187 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 31.63 109.575 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 49.29 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . 0.553 HE21 ' HD2' ' D' ' 38' ' ' PRO . 33.2 tp60 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.553 ' HD2' HE21 ' D' ' 37' ' ' GLN . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 31.29 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 52.79 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 74.77 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.518 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 66.01 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 77.52 109.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 38.8 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 48.36 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 52.73 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.71 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 82.32 108.766 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 96.95 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 82.8 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 44.56 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 19.48 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 52.2 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 9.25 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 10.79 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 9.72 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 19.36 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.501 ' HB2' HG12 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 11.33 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.497 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 29.87 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 24.97 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 27.84 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 11.35 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.497 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 10.67 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 7.73 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 11.05 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 5.05 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 21.68 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.29 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . 0.459 ' HA3' HG22 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 43.57 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 77.58 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.419 HG22 ' HD2' ' D' ' 11' ' ' PHE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 88.57 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.545 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 88.9 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 95.17 111.962 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.635 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 66.02 113.885 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 54.11 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 40.76 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 34.31 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 28.69 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 61.29 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.678 HG21 HD13 ' D' ' 13' ' ' ILE . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 19.65 110.978 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 13.09 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 10.47 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 6.22 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 10.48 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . 0.415 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 4.16 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 10.22 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.39 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 5.37 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 7.06 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 6.71 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' D' ' 23' ' ' PHE . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 5.08 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.5 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 5.65 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 10.21 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 6.99 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 18.26 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 20.06 113.083 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 16.85 111.819 -172.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 14.84 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 76.73 108.679 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.524 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 20.32 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 28.37 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.461 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 32.68 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 69.78 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 . . . . . 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.621 0.724 . . . . 99.99 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.464 ' N ' HD13 ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 87.02 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 27.8 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 12.57 107.845 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 37.56 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 5.43 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 6.92 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 5.61 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 12.68 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 32.78 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 57.34 111.582 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 65' ' ' THR . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 48.36 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 97.85 107.699 -173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 43.33 109.829 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 41.53 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 88.8 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 73.87 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.619 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.04 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 54.22 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 29.36 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 19.86 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 13.6 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 17.22 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 14.92 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 21.43 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 23.61 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 57.75 109.96 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 93.1 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 30.12 111.331 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 22.88 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 30.01 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 14.44 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 9.47 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.658 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 20.02 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 66.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 95.56 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 94.48 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 73.2 112.132 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 48.9 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 94.19 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 55.88 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 21.71 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 15.39 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 9.95 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 20.66 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 7.34 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.537 HH12 HD12 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 15.45 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 4.41 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 7.34 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 7.28 111.254 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 4.96 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 48.88 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 26.6 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 17.97 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 8.38 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.509 ' O ' HG22 ' A' ' 122' ' ' THR . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 121' ' ' GLY . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 20.1 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 13.71 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 20.05 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 56.76 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 62.97 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 56.46 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 77.42 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' B' ' 85' ' ' SER . 45.0 p90 . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 93.55 112.432 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 40.88 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 85.25 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.406 ' HE ' HG21 ' A' ' 122' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 95.33 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.459 HD12 ' ND2' ' D' ' 127' ' ' ASN . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 13.6 108.092 172.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 23.1 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 6.51 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 19.94 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 5.14 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 19.25 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 9.84 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 18.09 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.495 ' O ' HG13 ' B' ' 31' ' ' VAL . 46.1 m-80 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 49.39 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 98.87 110.553 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 72.1 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.539 HD21 HG13 ' B' ' 62' ' ' VAL . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 96.73 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 67.27 108.689 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 66.97 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 35.64 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 74.75 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 43.74 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' B' ' 53' ' ' ASP . 65.3 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 89.61 109.307 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 57' ' ' GLU . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 85.91 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.417 ' HA ' HE21 ' B' ' 50' ' ' GLN . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.438 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 76.71 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 98.07 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 57.34 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 21.57 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 62.33 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.469 ' HD2' HE21 ' B' ' 79' ' ' GLN . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 95.32 109.389 -178.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 14.84 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 28.15 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 18.14 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 24.35 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 26.44 110.412 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.539 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 56.64 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 62.67 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 81.37 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 33.32 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.539 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 25.99 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 18.76 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 16.93 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 12.76 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 8.91 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.469 HE21 ' HD2' ' B' ' 61' ' ' ARG . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 33.15 107.526 166.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.531 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 11.78 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 39.34 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.501 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 63.88 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 82.93 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.684 ' H ' HD13 ' B' ' 86' ' ' ILE . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 98.2 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.691 ' HA ' HD12 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 71.23 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 59.87 111.971 172.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 71.19 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 50.37 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 36.29 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 87.59 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 37.19 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 13.07 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 10.37 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 12.29 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 8.75 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' B' ' 128' ' ' LEU . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 59.14 110.928 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 13.3 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 9.86 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 13.13 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.02 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 26.78 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 13.3 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . 0.525 ' HA ' HE21 ' C' ' 125' ' ' GLN . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 29.79 113.127 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 23.15 112.195 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 23.84 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 29.89 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 72.13 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 73.04 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.443 ' H ' ' HG3' ' B' ' 111' ' ' ARG . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 90.81 111.903 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 43.15 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.538 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 61.27 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.57 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 109.233 -0.654 . . . . 99.99 109.233 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 56.3 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 93.16 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 11.74 107.512 168.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.516 HG22 HE22 ' C' ' 80' ' ' GLN . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 6.91 108.81 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 21.95 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 5.12 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 9.28 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 8.82 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 12.04 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 30.41 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 48.75 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 55.24 111.569 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.725 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 88.6 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 68.93 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 87.15 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.469 ' H ' HD23 ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 94.05 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 71.87 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 62.96 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 35.73 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 56.22 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 43.42 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.556 HD11 HD12 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 94.06 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 81.86 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . 0.45 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 29.6 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 20.9 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 69.19 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 14.53 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.42 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 17.7 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 29.53 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 32.22 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 59.66 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 97.29 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 76.35 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.725 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 37.0 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 34.06 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 39.96 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.459 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 16.54 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 9.25 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 25.23 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.516 HE22 HG22 ' C' ' 18' ' ' THR . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 10.6 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.463 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 51' ' ' LEU . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 30.38 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.554 0.216 . . . . 99.99 111.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 68.51 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 56.52 111.618 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.451 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 56.59 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 39.21 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.537 HD12 HH12 ' A' ' 111' ' ' ARG . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 8.71 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.463 HD21 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 37.06 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 16.74 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 9.85 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 5.88 110.358 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 7.64 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 20.64 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 13.9 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 8.58 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . 0.501 HG23 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 8.54 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 6.56 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.539 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 5.22 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 28.53 110.308 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 17.6 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 15.17 112.505 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 24.81 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 29.42 111.295 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' B' ' 119' ' ' SER . 0.0 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.616 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 59.85 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.415 HD21 HG21 ' C' ' 115' ' ' THR . 15.3 m120 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 41.85 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 38.57 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 24.62 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 24.48 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . 0.483 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 68.05 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.21 0.052 . . . . 99.99 110.982 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' D' ' 85' ' ' SER . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 76.43 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.573 HD13 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . 0.478 HE21 HG22 ' D' ' 83' ' ' ILE . 45.2 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 79.46 112.345 -172.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.538 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 53.22 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.716 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 19.87 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 8.43 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 36.9 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 4.02 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 7.64 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 5.08 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 7.19 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 13.41 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.424 ' ND2' ' HB ' ' D' ' 72' ' ' THR . 68.7 m-20 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 12.01 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 20.55 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 22.26 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 34.6 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 31.63 108.237 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 49.29 109.364 171.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . 0.65 HE21 ' HG3' ' D' ' 124' ' ' PRO . 1.7 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 31.29 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 52.79 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' D' ' 42' ' ' LEU . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 74.77 106.747 170.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 66.01 112.311 -163.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 77.52 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 38.8 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 48.36 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 52.73 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.71 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 82.32 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 96.95 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' D' ' 85' ' ' SER . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 82.8 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' D' ' 97' ' ' CYS . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.556 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 44.56 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 19.48 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 52.2 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 9.25 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 10.79 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 40' ' ' VAL . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 9.72 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 19.36 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 11.33 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 29.87 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.422 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 24.97 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 27.84 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . 0.424 ' HB ' ' ND2' ' D' ' 27' ' ' ASN . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 11.35 111.782 -175.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.558 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 10.67 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 7.73 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 11.05 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 5.05 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 21.68 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.29 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.478 HG22 HE21 ' D' ' 14' ' ' GLN . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 43.57 109.403 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.447 ' HA ' HG22 ' D' ' 55' ' ' VAL . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 77.58 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 88.57 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 88.9 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 95.17 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.556 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 66.02 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 54.11 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 40.76 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' D' ' 103' ' ' PRO . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 34.31 111.842 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 28.69 114.071 167.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 61.29 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.573 HG21 HD13 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 19.65 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 13.09 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 10.47 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 6.22 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 10.48 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 4.16 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 10.22 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.39 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.599 HG12 ' SG ' ' D' ' 76' ' ' CYS . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 5.37 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . 0.521 HG21 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 7.06 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 6.71 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 5.08 111.662 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 5.65 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 10.21 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 6.99 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 18.26 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.65 ' HG3' HE21 ' D' ' 37' ' ' GLN . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 20.06 112.21 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 16.85 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 14.84 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.459 ' ND2' HD12 ' B' ' 16' ' ' ILE . 28.4 t-20 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 76.73 109.836 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.539 HD11 HD12 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 20.32 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 28.37 111.407 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.411 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 32.68 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 69.78 110.291 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.616 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 120.965 0.412 . . . . 99.99 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.734 -0.469 . . . . 99.99 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 87.02 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 27.8 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 12.57 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 25' ' ' ALA . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 37.56 110.295 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 5.43 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 6.92 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 5.61 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 12.68 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 32.78 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 75.3 m-70 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 57.34 115.304 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 48.36 109.714 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 97.85 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 43.33 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 41.53 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 88.8 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 73.87 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.04 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.663 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 54.22 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 29.36 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 19.86 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 13.6 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 17.22 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 14.92 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 21.43 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 23.61 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 57.75 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 93.1 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 30.12 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 22.88 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 30.01 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 14.44 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 9.47 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 20.02 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 66.87 107.949 173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.569 1.677 0 N-CA-C 114.599 1.333 . . . . 99.99 114.599 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 95.56 114.32 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 94.48 111.463 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 73.2 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.663 ' HD3' HG11 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 48.9 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 94.19 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 55.88 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.445 HD21 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 21.71 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 15.39 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 9.95 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 20.66 111.093 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 7.34 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.563 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 15.45 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' MET . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 4.41 111.012 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 7.34 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.4 HG21 ' HE2' ' C' ' 109' ' ' TYR . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 7.28 110.809 -177.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 4.96 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 48.88 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 26.6 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 17.97 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' B' ' 113' ' ' CYS . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 8.38 110.357 173.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.453 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 20.1 109.713 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 13.71 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 20.05 113.404 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 56.76 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.443 HD22 HD12 ' C' ' 16' ' ' ILE . 6.6 m120 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.418 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 62.97 111.611 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 56.46 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.563 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 77.42 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.264 0.554 . . . . 93.55 112.21 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 40.88 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 85.25 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.453 HH21 ' HB ' ' A' ' 122' ' ' THR . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 95.33 111.052 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 13.6 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 23.1 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 6.51 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 19.94 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 5.14 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 19.25 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 9.84 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 18.09 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 49.39 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.934 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.596 HG12 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 98.87 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 72.1 112.134 -172.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 96.73 110.109 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' B' ' 45' ' ' ASP . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 67.27 107.357 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.422 ' N ' HD23 ' B' ' 44' ' ' LEU . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 66.97 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 35.64 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 74.75 111.864 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 43.74 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 89.61 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 85.91 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 76.71 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 98.07 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 57.34 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 21.57 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 62.33 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.618 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 95.32 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 14.84 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.68 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 28.15 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 18.14 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 24.35 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 26.44 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 56.64 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 62.67 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 81.37 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 33.32 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 25.99 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 18.76 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 16.93 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 12.76 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 8.91 109.843 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.618 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 33.15 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 11.78 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 39.34 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 63.88 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 82.93 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 98.2 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 71.23 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 59.87 113.859 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 71.19 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.451 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 50.37 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 36.29 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 87.59 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 37.19 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 13.07 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 10.37 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 12.29 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 8.75 110.972 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.761 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 59.14 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 13.3 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.651 HG21 HG21 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 9.86 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 13.13 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.02 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 26.78 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 13.3 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . 0.515 ' HB2' HG21 ' C' ' 115' ' ' THR . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 29.79 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 23.15 112.813 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 23.84 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 29.89 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.576 ' HA ' HG11 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 72.13 106.849 165.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 73.04 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.761 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 90.81 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 43.15 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 61.27 111.965 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.57 108.686 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.595 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 56.3 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 93.16 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.443 HD12 HD22 ' A' ' 127' ' ' ASN . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 11.74 107.72 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.486 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.461 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 6.91 107.695 169.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 21.95 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 5.12 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 9.28 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 8.82 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 12.04 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 30.41 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.505 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 48.75 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.65 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 55.24 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.65 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 88.6 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 68.93 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.503 HG21 HD11 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 87.15 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 94.05 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 71.87 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 62.96 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 35.73 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 56.22 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 43.42 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 94.06 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.577 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 81.86 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.631 ' HB2' HD11 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 29.6 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 20.9 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 69.19 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.649 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 14.53 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.42 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.523 HG21 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 17.7 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 29.53 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 32.22 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 59.66 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 97.29 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 76.35 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 37.0 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 34.06 109.248 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 39.96 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.435 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 16.54 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.435 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 9.25 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 25.23 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.538 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 10.6 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.527 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.494 HD12 HD11 ' C' ' 51' ' ' LEU . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 30.38 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.353 0.12 . . . . 99.99 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 68.51 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 56.52 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.606 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 56.59 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.43 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 39.21 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 8.71 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.527 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 37.06 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 16.74 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 9.85 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.4 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 5.88 110.959 -176.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 7.64 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.409 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 20.64 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' C' ' 18' ' ' THR . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 13.9 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.649 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 8.58 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . 0.515 HG21 ' HB2' ' B' ' 119' ' ' SER . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 8.54 111.392 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 6.56 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.46 ' HE2' ' SD ' ' D' ' 117' ' ' MET . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 5.22 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 28.53 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . 0.743 ' HB3' HE22 ' C' ' 125' ' ' GLN . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 17.6 111.33 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.474 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 15.17 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' C' ' 124' ' ' PRO . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 24.81 109.566 173.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . 0.528 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 29.42 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.743 HE22 ' HB3' ' C' ' 119' ' ' SER . 14.5 mm-40 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.503 HD11 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 59.85 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.409 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 41.85 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 38.57 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 24.62 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 24.48 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 68.05 108.964 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . 0.43 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 . . . . . 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 76.43 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.534 HD13 HG21 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 79.46 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 53.22 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 19.87 109.908 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 8.43 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 36.9 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.409 HD13 ' HE3' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 4.02 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 7.64 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 5.08 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 7.19 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 13.41 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.462 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 12.01 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 20.55 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 22.26 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 34.6 112.206 -169.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 31.63 110.303 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 49.29 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 31.29 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . 0.503 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.512 HG22 HD11 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 52.79 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.512 HD11 HG22 ' D' ' 40' ' ' VAL . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 74.77 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 66.01 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 77.52 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 38.8 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 48.36 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 52.73 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.71 109.545 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.617 ' H ' HD23 ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 82.32 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 96.95 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 82.8 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.612 HG13 HD11 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 44.56 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 19.48 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 52.2 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 9.25 108.656 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.402 ' HA ' ' HG3' ' D' ' 77' ' ' GLU . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 10.79 109.422 172.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.453 HG21 HD13 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 9.72 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 19.36 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 11.33 108.874 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 29.87 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 24.97 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 27.84 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 11.35 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 10.67 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 7.73 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 11.05 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.455 ' SG ' HG12 ' D' ' 114' ' ' ILE . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 5.05 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 21.68 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.29 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 43.57 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 77.58 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.486 HD13 ' H ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 88.57 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.514 ' HB2' HD13 ' D' ' 89' ' ' ILE . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.415 ' HB2' ' SD ' ' D' ' 94' ' ' MET . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 88.9 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 95.17 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 66.02 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 54.11 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 40.76 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 34.31 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.478 ' HB3' HD13 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 28.69 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 61.29 111.842 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.534 HG21 HD13 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 19.65 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.612 HD11 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 13.09 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 10.47 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 6.22 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 10.48 112.021 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 4.16 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.676 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 10.22 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.39 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.455 HG12 ' SG ' ' D' ' 76' ' ' CYS . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 5.37 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 7.06 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 6.71 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.46 ' SD ' ' HE2' ' C' ' 117' ' ' MET . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 5.08 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.417 HG23 ' O ' ' D' ' 114' ' ' ILE . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 5.65 110.163 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 10.21 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 6.99 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 18.26 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 20.06 112.881 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 16.85 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 14.84 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 76.73 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 20.32 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 28.37 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.676 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 32.68 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 69.78 108.119 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.741 0.305 . . . . 99.99 111.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.47 -0.196 . . . . 99.99 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 87.02 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 27.8 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 12.57 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 37.56 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 5.43 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 6.92 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 5.61 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 12.68 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 32.78 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 16.9 m-70 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.757 HG13 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.691 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 67' ' ' SER . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 57.34 113.209 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 126' ' ' LEU . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 48.36 109.804 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 97.85 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.488 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 43.33 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 41.53 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 88.8 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 73.87 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.04 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.767 HG11 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 54.22 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 29.36 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 19.86 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 13.6 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 17.22 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 114' ' ' ILE . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 14.92 108.473 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 21.43 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 23.61 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 57.75 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 93.1 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 30.12 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 22.88 110.074 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 30.01 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 14.44 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 9.47 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 20.02 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 66.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 119.862 -0.113 . . . . 99.99 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 95.56 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 94.48 112.932 -169.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 73.2 112.979 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.767 ' HD3' HG11 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 48.9 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 94.19 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 55.88 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 21.71 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.596 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 15.39 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 9.95 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 20.66 111.077 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 7.34 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 15.45 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.517 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 4.41 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 HG21 ' A' ' 64' ' ' VAL . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 7.34 112.263 -173.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 7.28 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 4.96 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 48.88 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 26.6 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 17.97 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 8.38 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 20.1 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 13.71 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 20.05 111.925 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.523 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 56.76 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 62.97 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' HD13 ' A' ' 128' ' ' LEU . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 56.46 112.34 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 77.42 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 44' ' ' LEU . 42.1 t . . . . . 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 93.55 107.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 40.88 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 85.25 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 95.33 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 13.6 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 23.1 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 6.51 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 19.94 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 5.14 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 19.25 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 9.84 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.581 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 18.09 106.857 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 49.39 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.578 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 98.87 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' B' ' 126' ' ' LEU . 22.5 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 72.1 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 96.73 109.562 172.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 67.27 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 66.97 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 35.64 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 74.75 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 43.74 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 89.61 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 85.91 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 76.71 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.547 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 98.07 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.54 ' HB2' HD11 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 57.34 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 21.57 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 62.33 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 95.32 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 14.84 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 28.15 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.567 HG21 HG21 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 18.14 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 24.35 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 26.44 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 56.64 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.588 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 62.67 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 81.37 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 33.32 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 25.99 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 18.76 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 16.93 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 12.76 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 8.91 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 33.15 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 11.78 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 39.34 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 63.88 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 82.93 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 98.2 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.547 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG2' HD13 ' B' ' 98' ' ' LEU . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' B' ' 94' ' ' MET . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 71.23 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 59.87 114.238 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 71.19 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.403 ' O ' HG22 ' B' ' 105' ' ' ILE . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 50.37 112.185 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 36.29 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 87.59 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.403 HG22 ' O ' ' B' ' 102' ' ' CYS . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 37.19 110.403 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 13.07 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 10.37 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 12.29 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 8.75 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 59.14 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 13.3 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 9.86 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 13.13 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.02 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 26.78 109.54 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 13.3 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 29.79 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.517 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 23.15 111.607 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 23.84 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 29.89 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 72.13 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 73.04 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 90.81 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 43.15 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 61.27 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.57 109.574 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.333 -0.618 . . . . 99.99 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.47 ' H ' HD12 ' C' ' 13' ' ' ILE . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 56.3 106.934 173.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 93.16 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 11.74 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' C' ' 19' ' ' LYS . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 6.91 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 21.95 108.515 170.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 5.12 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 9.28 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 8.82 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 12.04 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 30.41 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HZ1' ' D' ' 19' ' ' LYS . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 48.75 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 55.24 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 88.6 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 68.93 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.593 HG11 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 87.15 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 94.05 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 71.87 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 62.96 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 35.73 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 56.22 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 43.42 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 94.06 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 81.86 108.415 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 29.6 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 20.9 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.558 HD23 HD12 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 69.19 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 14.53 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.42 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.472 HG21 HD21 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 17.7 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.407 HG23 HD23 ' C' ' 75' ' ' LEU . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 29.53 109.683 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 32.22 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 59.66 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' C' ' 73' ' ' ALA . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 97.29 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 76.35 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 37.0 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' C' ' 68' ' ' LEU . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 34.06 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 39.96 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 16.54 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 9.25 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 25.23 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.536 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.2 tp-100 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 10.6 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.435 HD12 HD11 ' C' ' 51' ' ' LEU . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 30.38 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . 0.48 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.48 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.224 0.083 . . . . 99.99 111.224 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 68.51 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 56.52 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 56.59 112.632 -174.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 39.21 113.893 171.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 8.71 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.558 HD12 HD23 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 37.06 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 16.74 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 9.85 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 5.88 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 7.64 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 20.64 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 13.9 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.566 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 8.58 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 8.54 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 6.56 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.527 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 5.22 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 28.53 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 17.6 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 15.17 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 24.81 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 29.42 112.518 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.593 HD11 HG11 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 59.85 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 41.85 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 38.57 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 24.62 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 24.48 113.332 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 68.05 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.51 ' HD2' HG22 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 76.43 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.535 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 79.46 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 53.22 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 19.87 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 8.43 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 36.9 110.843 175.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.527 HD12 ' HG3' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 4.02 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 7.64 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 5.08 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 7.19 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 13.41 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.694 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 12.01 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 20.55 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 22.26 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 34.6 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 31.63 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 49.29 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.5 ' HB2' ' HB1' ' D' ' 66' ' ' ALA . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 31.29 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 52.79 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 74.77 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 66.01 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 77.52 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 38.8 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 48.36 109.789 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 52.73 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.71 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 82.32 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 96.95 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 82.8 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.494 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 44.56 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 19.48 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 52.2 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 9.25 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.515 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 10.79 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 9.72 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 19.36 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 11.33 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 29.87 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 24.97 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 27.84 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 11.35 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 10.67 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 7.73 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 11.05 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 5.05 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 21.68 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.29 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 43.57 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 77.58 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 88.57 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 88.9 112.162 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 95.17 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.721 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 66.02 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 54.11 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 40.76 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 34.31 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 28.69 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 0.8 OUTLIER -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 61.29 111.003 177.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.535 HG21 HD13 ' D' ' 13' ' ' ILE . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 19.65 110.762 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 13.09 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 10.47 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 6.22 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 10.48 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 4.16 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.532 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 10.22 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.39 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.478 HG23 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 5.37 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . 0.473 HG23 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 7.06 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 6.71 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 5.08 111.675 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 5.65 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 10.21 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 6.99 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 18.26 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 20.06 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 16.85 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 14.84 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 76.73 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.485 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 20.32 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 28.37 109.514 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.532 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 32.68 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 69.78 111.01 -168.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 87.02 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 27.8 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 83' ' ' ILE . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 12.57 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 37.56 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 5.43 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 6.92 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.544 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 5.61 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 12.68 109.158 171.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 32.78 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.589 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 57.34 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 48.36 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 97.85 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 98' ' ' LEU . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 43.33 108.95 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 41.53 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 88.8 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 73.87 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.04 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 54.22 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 29.36 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 19.86 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.621 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 13.6 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 17.22 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 14.92 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 21.43 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 23.61 106.928 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.62 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 57.75 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 93.1 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 30.12 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 22.88 110.56 177.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 30.01 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 14.44 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.544 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 9.47 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.621 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 20.02 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' A' ' 17' ' ' TYR . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 66.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 46' ' ' THR . 68.8 mt . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 111.774 0.287 . . . . 99.99 111.774 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 95.56 111.825 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 94.48 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 73.2 112.563 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 48.9 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 94.19 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 55.88 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD21 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 21.71 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 15.39 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 9.95 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 20.66 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 7.34 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 15.45 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 4.41 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 7.34 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.48 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 7.28 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 4.96 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 48.88 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 26.6 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 17.97 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 8.38 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 20.1 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 13.71 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 20.05 114.634 175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 64' ' ' VAL . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 56.76 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 128' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 62.97 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 56.46 111.632 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 77.42 112.908 -169.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 44' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.552 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 93.55 109.496 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.452 ' H ' HD12 ' B' ' 13' ' ' ILE . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 40.88 107.17 173.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 85.25 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 95.33 110.333 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 106' ' ' LEU . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 13.6 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 23.1 111.687 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.674 HG21 HD11 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 6.51 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 19.94 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.674 HD11 HG21 ' B' ' 18' ' ' THR . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 5.14 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 19.25 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 9.84 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 18.09 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 49.39 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 98.87 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 72.1 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 96.73 110.602 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 67.27 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 66.97 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 35.64 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 74.75 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 43.74 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 89.61 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 85.91 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 76.71 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 98.07 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.566 HG21 HD23 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 57.34 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 21.57 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 62.33 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 95.32 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 14.84 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 28.15 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 18.14 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 24.35 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 26.44 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 56.64 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 62.67 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 81.37 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 33.32 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 25.99 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 18.76 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 16.93 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 12.76 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 8.91 109.839 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 33.15 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 11.78 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 39.34 107.484 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.712 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 63.88 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 82.93 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 98.2 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' B' ' 98' ' ' LEU . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.566 HD23 HG21 ' B' ' 58' ' ' VAL . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 71.23 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 59.87 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 104' ' ' ASN . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 71.19 111.735 -174.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.552 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 50.37 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 36.29 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 100' ' ' ALA . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 87.59 112.044 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 37.19 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.472 HD22 HG23 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 13.07 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 10.37 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . 0.532 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 12.29 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 8.75 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 59.14 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 13.3 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 9.86 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . 0.472 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 13.13 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.02 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.527 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 26.78 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 13.3 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 29.79 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 23.15 111.287 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 23.84 109.489 172.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 29.89 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.472 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 72.13 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 73.04 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 90.81 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 43.15 111.898 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 61.27 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.57 109.574 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.412 ' HB2' HG22 ' C' ' 86' ' ' ILE . 28.7 p90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 56.3 108.372 172.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 93.16 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 11.74 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.476 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 6.91 109.673 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 21.95 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 5.12 106.14 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 9.28 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 8.82 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 12.04 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 30.41 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.581 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 48.75 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.555 HG21 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 55.24 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.463 ' HD3' HD21 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 88.6 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 68.93 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 87.15 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 94.05 109.742 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.758 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 71.87 107.627 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 62.96 110.328 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 35.73 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 56.22 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 43.42 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.644 HD11 HD12 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 94.06 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 81.86 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.402 ' HB2' HD11 ' C' ' 51' ' ' LEU . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 29.6 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 20.9 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 69.19 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 14.53 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.758 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.42 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 17.7 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 29.53 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 32.22 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 59.66 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.486 ' H ' HD23 ' C' ' 68' ' ' LEU . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 97.29 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 76.35 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 37.0 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 34.06 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 39.96 111.953 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 16.54 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.424 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 9.25 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.794 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 44.2 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 25.23 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 10.6 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.644 HD12 HD11 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 30.38 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . 0.412 HG22 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 68.51 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 56.52 111.296 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 56.59 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.567 ' HB3' HD22 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 39.21 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 8.71 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 37.06 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 16.74 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 9.85 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.48 ' HE2' HG21 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 5.88 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 7.64 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 20.64 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' C' ' 18' ' ' THR . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 13.9 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.495 HG21 HG21 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 8.58 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 8.54 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 6.56 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.741 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 5.22 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 28.53 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 17.6 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 15.17 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 24.81 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . 0.467 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 29.42 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.54 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.459 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 59.85 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 41.85 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.592 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 38.57 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 24.62 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 24.48 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 68.05 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.235 0.341 0 N-CA-C 107.596 -1.261 . . . . 99.99 107.596 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 76.43 108.557 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 79.46 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.528 HD13 ' H ' ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 53.22 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.581 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 19.87 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 8.43 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.536 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 36.9 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.741 HG21 ' HE2' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 4.02 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 7.64 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 5.08 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 7.19 107.727 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 13.41 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 12.01 113.852 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 20.55 113.12 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 22.26 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' D' ' 73' ' ' ALA . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 34.6 113.399 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 31.63 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 49.29 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.427 ' O ' HG12 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 31.29 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.453 HG13 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 52.79 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 74.77 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.718 ' HB3' HG13 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 66.01 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 77.52 108.926 172.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 38.8 108.731 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.422 ' HB3' HG23 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 48.36 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 52.73 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.71 109.251 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 82.32 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 96.95 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 82.8 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.48 ' CD1' ' HB3' ' D' ' 98' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 44.56 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.657 HG13 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 19.48 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 52.2 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.718 HG13 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 9.25 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.561 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 10.79 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 9.72 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 19.36 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 11.33 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 29.87 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 24.97 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 27.84 112.256 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 11.35 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 10.67 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 7.73 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 11.05 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' D' ' 114' ' ' ILE . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 5.05 110.01 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HG3' HG13 ' D' ' 59' ' ' VAL . 28.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 21.68 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.457 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.29 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 43.57 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 77.58 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 88.57 109.963 -170.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 88.9 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 95.17 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 66.02 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 54.11 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 40.76 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 34.31 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 28.69 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 61.29 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 19.65 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 13.09 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 10.47 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 6.22 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 10.48 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 4.16 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 10.22 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.39 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.57 HG12 ' SG ' ' D' ' 76' ' ' CYS . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 5.37 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 7.06 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 6.71 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.461 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 5.08 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 5.65 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 10.21 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.472 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 6.99 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 18.26 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 20.06 110.926 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 16.85 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.453 HD13 HG13 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 14.84 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 76.73 109.565 168.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 20.32 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 28.37 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 32.68 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 69.78 110.444 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.459 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.094 -0.336 . . . . 99.99 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.406 HH21 ' HG1' ' B' ' 122' ' ' THR . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 87.02 110.684 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 27.8 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 12.57 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 37.56 109.733 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 5.43 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 6.92 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 5.61 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 12.68 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 32.78 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 57.34 112.064 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 48.36 108.729 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 97.85 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 43.33 109.185 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 41.53 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 88.8 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 73.87 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.04 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 54.22 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 29.36 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 19.86 107.571 175.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 13.6 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 17.22 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 14.92 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 21.43 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 23.61 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 57.75 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 93.1 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 30.12 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 22.88 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 30.01 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 14.44 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 9.47 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 20.02 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 66.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.443 0.164 . . . . 99.99 111.443 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 95.56 111.119 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 94.48 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 73.2 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 48.9 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 94.19 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 55.88 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 21.71 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 15.39 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 9.95 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 20.66 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 7.34 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.742 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 15.45 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 4.41 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 7.34 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 7.28 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 4.96 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 48.88 112.774 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.586 HG12 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 26.6 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 17.97 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 8.38 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.433 ' HB ' HH21 ' B' ' 15' ' ' ARG . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 20.1 109.98 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' HE1' HG11 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 13.71 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 20.05 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 56.76 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.434 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 62.97 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 56.46 112.276 -177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.742 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 77.42 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 . . . . . 0 C--O 1.244 0.786 0 N-CA-C 109.14 -0.689 . . . . 93.55 109.14 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.669 ' H ' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 40.88 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 85.25 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.433 HH21 ' HB ' ' A' ' 122' ' ' THR . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 95.33 110.171 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.541 ' HB ' HD21 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 13.6 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 23.1 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 6.51 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 19.94 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 5.14 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 19.25 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 9.84 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 18.09 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 49.39 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 98.87 110.678 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.468 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 72.1 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' B' ' 64' ' ' VAL . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 96.73 110.018 -170.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 67.27 109.254 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.676 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.439 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 66.97 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 35.64 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 74.75 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 43.74 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 89.61 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 85.91 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 76.71 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 98.07 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 57.34 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 21.57 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 62.33 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 95.32 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 14.84 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 28.15 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' B' ' 42' ' ' LEU . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 18.14 109.042 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 24.35 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 26.44 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.439 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 56.64 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 62.67 107.203 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 81.37 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 33.32 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.75 ' HA ' HG21 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 25.99 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 18.76 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 16.93 106.458 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 12.76 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' B' ' 113' ' ' CYS . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 8.91 109.076 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 33.15 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.544 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 11.78 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 39.34 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 63.88 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 82.93 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 98.2 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.792 HG21 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 71.23 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 59.87 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 71.19 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 105' ' ' ILE . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 50.37 113.268 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 36.29 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 87.59 111.0 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.506 HG21 HG21 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 37.19 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 13.07 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 10.37 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 12.29 110.449 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 8.75 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 59.14 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 13.3 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.526 HG23 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 9.86 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 13.13 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.02 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 26.78 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 13.3 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 29.79 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.406 ' HG1' HH21 ' A' ' 15' ' ' ARG . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 23.15 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 23.84 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 29.89 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.468 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 72.13 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 73.04 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 90.81 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 43.15 111.473 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 61.27 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.57 108.913 -174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.431 ' HE2' ' HD1' ' C' ' 101' ' ' TYR . 1.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.616 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 56.3 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 93.16 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 11.74 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.473 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 6.91 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 21.95 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 5.12 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 9.28 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 8.82 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 12.04 107.649 171.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 30.41 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.46 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 48.75 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.53 HG23 HD11 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 55.24 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.674 ' HG2' HD13 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 88.6 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 68.93 111.293 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 87.15 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 94.05 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.414 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 71.87 109.247 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 62.96 110.436 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 35.73 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 56.22 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 43.42 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 94.06 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 81.86 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 29.6 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 20.9 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.488 HD12 HG22 ' C' ' 62' ' ' VAL . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 69.19 108.09 176.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.488 HG22 HD12 ' C' ' 60' ' ' LEU . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 14.53 108.439 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.42 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 17.7 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 29.53 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 32.22 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 59.66 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 97.29 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 76.35 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 37.0 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 34.06 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 39.96 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.409 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 16.54 106.578 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.409 ' N ' HD13 ' C' ' 75' ' ' LEU . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 9.25 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 25.23 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 10.6 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.468 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.486 HD12 HD11 ' C' ' 51' ' ' LEU . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 30.38 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.438 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.66 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 68.51 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 56.52 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.431 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 56.59 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 39.21 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 8.71 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.468 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 37.06 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 16.74 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 9.85 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 5.88 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 7.64 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 20.64 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 13.9 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.461 HD13 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 8.58 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 8.54 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 6.56 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.58 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 5.22 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.446 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 28.53 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 17.6 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 15.17 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 24.81 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 29.42 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 59.85 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 41.85 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 38.57 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 24.62 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 24.48 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 68.05 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.244 0.775 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.515 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 76.43 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.569 HD13 HG21 ' D' ' 105' ' ' ILE . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 79.46 112.546 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.43 HD11 HG21 ' D' ' 13' ' ' ILE . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 53.22 107.498 170.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 19.87 111.194 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 8.43 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 36.9 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.58 HG21 ' HE2' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 4.02 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 77' ' ' GLU . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 7.64 109.151 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 5.08 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 7.19 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 13.41 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 12.01 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 20.55 112.959 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 22.26 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 34.6 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 31.63 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 49.29 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 31.29 111.173 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.461 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 52.79 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 74.77 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 66.01 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 77.52 108.605 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 38.8 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 48.36 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 52.73 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.71 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 82.32 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 96.95 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.441 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 82.8 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.548 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 44.56 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 19.48 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 52.2 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.407 HG11 HD13 ' D' ' 128' ' ' LEU . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 9.25 108.535 171.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 10.79 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 9.72 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 19.36 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 11.33 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 29.87 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.441 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 24.97 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 27.84 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 11.35 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 10.67 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 7.73 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 11.05 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.658 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 22' ' ' SER . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 5.05 110.01 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 21.68 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.29 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 43.57 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 77.58 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.485 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 88.57 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 28.6 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 88.9 111.566 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . 0.492 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 95.17 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.687 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 66.02 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 54.11 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 40.76 111.284 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.687 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 34.31 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 28.69 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 61.29 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.569 HG21 HD13 ' D' ' 13' ' ' ILE . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 19.65 110.298 172.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 13.09 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 10.47 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 6.22 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 10.48 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 4.16 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.485 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 10.22 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.39 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.658 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 5.37 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 7.06 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 6.71 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.422 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 5.08 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 5.65 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 10.21 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 6.99 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 18.26 111.65 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . 0.427 ' HB2' HG13 ' D' ' 118' ' ' VAL . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.414 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 20.06 112.928 175.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 16.85 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 14.84 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.541 HD21 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 76.73 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.407 HD13 HG11 ' D' ' 62' ' ' VAL . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 20.32 110.989 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 28.37 111.142 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 32.68 110.818 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 69.78 110.026 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.579 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 121.148 0.499 . . . . 99.99 110.748 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.905 -0.406 . . . . 99.99 109.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.546 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.427 HH12 ' HA ' ' B' ' 29' ' ' PRO . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 87.02 110.823 -168.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 27.8 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 12.57 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 37.56 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 5.43 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 6.92 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 5.61 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 12.68 108.613 173.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 32.78 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 57.34 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 48.36 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 128' ' ' LEU . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 97.85 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 43.33 109.395 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 41.53 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 88.8 110.329 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 73.87 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.04 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 54.22 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 29.36 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 19.86 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG13 HD21 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 13.6 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 17.22 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.443 HG21 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 14.92 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 21.43 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 23.61 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 57.75 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 93.1 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 30.12 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 22.88 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 30.01 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' H ' ' A' ' 24' ' ' GLU . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 14.44 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 9.47 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 20.02 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 66.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.546 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 95.56 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 94.48 110.909 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 73.2 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 48.9 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 94.19 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 55.88 110.191 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 21.71 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 15.39 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 9.95 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 20.66 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 7.34 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 15.45 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 4.41 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 7.34 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.406 HG21 ' NE2' ' A' ' 125' ' ' GLN . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 7.28 111.308 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 4.96 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 48.88 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 26.6 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 17.97 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.471 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 8.38 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.53 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 20.1 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 13.71 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 20.05 114.68 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.484 HE21 HD21 ' A' ' 127' ' ' ASN . 47.5 tp60 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 56.76 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.484 HD21 HE21 ' A' ' 125' ' ' GLN . 16.7 m120 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 62.97 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 56.46 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.534 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 77.42 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.046 0.451 . . . . 93.55 111.833 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.458 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 40.88 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 85.25 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 95.33 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 13.6 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 23.1 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.53 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 6.51 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 19.94 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.43 HD12 ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 5.14 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 19.25 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 9.84 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 18.09 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 49.39 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' B' ' 25' ' ' ALA . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.494 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 HD11 ' B' ' 68' ' ' LEU . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 98.87 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 72.1 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.598 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 96.73 112.024 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD21 ' B' ' 60' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 67.27 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 66.97 110.511 -173.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 35.64 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 74.75 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 43.74 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 89.61 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 85.91 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.462 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 76.71 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 98.07 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 57.34 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 21.57 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.542 HD21 HD23 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 62.33 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 95.32 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 14.84 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 28.15 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 18.14 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 24.35 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 26.44 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 56.64 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 62.67 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 81.37 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 33.32 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.71 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 25.99 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 18.76 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 16.93 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 12.76 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 8.91 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 33.15 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 11.78 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 39.34 106.251 168.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.458 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 63.88 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 82.93 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' B' ' 11' ' ' PHE . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 98.2 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 71.23 112.487 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 59.87 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 71.19 112.676 -166.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 50.37 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 36.29 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 87.59 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 37.19 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 13.07 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 10.37 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 12.29 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 8.75 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 59.14 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 13.3 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.521 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 9.86 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 13.13 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.02 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 26.78 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 13.3 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 29.79 111.769 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 23.15 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 23.84 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 29.89 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 72.13 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 73.04 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.591 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 90.81 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 43.15 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 61.27 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.57 110.852 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 109.006 -0.739 . . . . 99.99 109.006 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 56.3 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.702 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 93.16 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.413 HD12 HD22 ' A' ' 127' ' ' ASN . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 11.74 107.438 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.554 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 6.91 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 21.95 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 5.12 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 9.28 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 8.82 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 12.04 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 30.41 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' C' ' 30' ' ' HIS . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 27' ' ' ASN . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 48.75 112.49 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 55.24 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 88.6 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 68.93 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 87.15 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.589 HD21 HG22 ' C' ' 64' ' ' VAL . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 94.05 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.482 HD11 HD23 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 71.87 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 62.96 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 35.73 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 56.22 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 43.42 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.563 HD11 HD12 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 94.06 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 81.86 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 29.6 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' C' ' 57' ' ' GLU . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 20.9 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 69.19 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 14.53 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.42 109.816 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.6 HG21 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 17.7 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 29.53 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 32.22 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . 0.441 ' HB2' HG23 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 59.66 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 97.29 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 76.35 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . 0.441 HG23 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 37.0 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 34.06 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 39.96 110.049 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 16.54 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 9.25 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 25.23 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 10.6 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.563 HD12 HD11 ' C' ' 51' ' ' LEU . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 30.38 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.702 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.562 0.22 . . . . 99.99 111.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 68.51 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 56.52 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 56.59 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.405 ' HB3' HD21 ' C' ' 60' ' ' LEU . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 39.21 115.885 168.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 130' ' ' PRO . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 8.71 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' C' ' 82' ' ' GLY . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 37.06 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 16.74 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 9.85 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 5.88 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 7.64 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 20.64 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 13.9 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.6 HG21 HG21 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 8.58 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 8.54 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 6.56 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.411 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 5.22 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.497 HG21 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 28.53 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' HE22 ' C' ' 125' ' ' GLN . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 17.6 110.328 173.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 15.17 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 24.81 110.091 175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 29.42 113.3 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.414 HE22 ' HB2' ' C' ' 119' ' ' SER . 15.6 mm100 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.497 ' H ' HG21 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 59.85 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 41.85 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.589 HD21 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 38.57 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 24.62 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 24.48 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 68.05 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.463 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 76.43 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.629 HD13 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 79.46 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 53.22 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 19.87 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 8.43 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 36.9 109.987 172.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.69 HG23 HG22 ' D' ' 78' ' ' VAL . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 4.02 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 7.64 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 5.08 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 7.19 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 13.41 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 12.01 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 20.55 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 22.26 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' D' ' 68' ' ' LEU . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 34.6 112.399 -174.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 31.63 109.242 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 49.29 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 31.29 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 52.79 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.49 HD11 HD22 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 74.77 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.667 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 66.01 109.579 -174.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . 0.63 HG22 HD22 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 77.52 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 38.8 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 48.36 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 52.73 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.71 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 82.32 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 96.95 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.613 HG11 HG23 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 82.8 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 44.56 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 19.48 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . 0.63 HD22 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 52.2 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 9.25 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.667 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 10.79 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 9.72 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 19.36 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 11.33 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.514 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 29.87 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' D' ' 31' ' ' VAL . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 24.97 109.309 177.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 27.84 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 11.35 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.514 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 10.67 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 7.73 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 11.05 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.761 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . 0.69 HG22 HG23 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 5.05 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.728 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 21.68 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.29 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.613 HG23 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 43.57 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.562 ' HA ' HG22 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 77.58 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 88.57 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 88.9 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 95.17 111.786 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.673 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 66.02 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 54.11 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 40.76 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 34.31 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 28.69 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 61.29 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.629 HG21 HD13 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 19.65 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 13.09 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . 0.528 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 10.47 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 6.22 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 10.48 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 4.16 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 10.22 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.39 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.761 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 5.37 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 7.06 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 6.71 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 5.08 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 5.65 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 10.21 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 6.99 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' D' ' 32' ' ' PHE . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 18.26 111.984 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 20.06 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 16.85 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 14.84 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 76.73 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.49 HD22 HD11 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 20.32 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 28.37 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 32.68 112.175 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 69.78 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 . . . . . 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.423 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.423 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.005 -0.739 . . . . 99.99 109.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 HH12 ' HA ' ' B' ' 29' ' ' PRO . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 87.02 110.016 -167.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 27.8 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 12.57 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 37.56 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 5.43 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 6.92 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 5.61 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 12.68 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 32.78 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.713 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 57.34 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 48.36 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 97.85 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 43.33 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 41.53 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 88.8 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 73.87 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD11 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB2' HD11 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.04 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 54.22 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG22 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 29.36 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 19.86 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 13.6 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 17.22 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 14.92 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 21.43 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 23.61 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 57.75 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 93.1 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 30.12 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 22.88 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 30.01 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 14.44 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 9.47 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 6.6 tp-100 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 20.02 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 66.87 108.469 171.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.471 0.545 . . . . 99.99 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 95.56 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 94.48 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 73.2 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 48.9 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 94.19 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 105' ' ' ILE . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 55.88 110.026 166.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 21.71 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.527 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 15.39 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 9.95 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 20.66 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 80' ' ' GLN . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 7.34 111.08 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 15.45 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 4.41 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 7.34 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.475 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 7.28 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 4.96 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 48.88 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 26.6 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 17.97 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 8.38 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.436 HG22 HH21 ' B' ' 15' ' ' ARG . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 20.1 111.398 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 13.71 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 20.05 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 56.76 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.4 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.527 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 62.97 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 56.46 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 77.42 111.396 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 37.2 t . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 93.55 112.013 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 40.88 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 85.25 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.436 HH21 HG22 ' A' ' 122' ' ' THR . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 95.33 110.314 -171.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 13.6 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 23.1 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.569 HG21 HD11 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 6.51 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 19.94 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 5.14 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 19.25 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.565 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 9.84 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 18.09 110.073 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 49.39 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.421 ' HA ' HH12 ' A' ' 15' ' ' ARG . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 98.87 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HB2' ' HB1' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 72.1 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 96.73 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 67.27 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 66.97 110.117 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 35.64 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 74.75 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 43.74 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 89.61 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 85.91 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 76.71 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 98.07 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.615 HG11 HD22 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 57.34 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 21.57 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 62.33 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 95.32 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' B' ' 114' ' ' ILE . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 14.84 107.756 174.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 28.15 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.638 HG21 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 18.14 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 24.35 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 26.44 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 56.64 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.68 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 62.67 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 81.37 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 33.32 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.68 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 25.99 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.511 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 18.76 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 16.93 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 12.76 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' B' ' 113' ' ' CYS . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 8.91 108.858 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 33.15 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 11.78 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 39.34 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 63.88 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 82.93 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.556 ' HB ' ' HD2' ' B' ' 11' ' ' PHE . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 98.2 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.568 ' HB2' ' HA ' ' B' ' 90' ' ' GLU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.455 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.615 HD22 HG11 ' B' ' 58' ' ' VAL . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 71.23 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 59.87 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 71.19 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.508 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 50.37 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' B' ' 102' ' ' CYS . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 36.29 114.139 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 87.59 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 37.19 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 13.07 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 10.37 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 12.29 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.43 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 8.75 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 59.14 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 13.3 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.638 HG21 HG21 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 9.86 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 13.13 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.02 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 26.78 110.779 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 13.3 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 29.79 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.61 HG23 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 23.15 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 23.84 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 29.89 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.511 HD23 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 72.13 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 73.04 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 90.81 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 43.15 110.09 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.602 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 61.27 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.57 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.424 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 109.961 -0.385 . . . . 99.99 109.961 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.731 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.4 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.521 ' N ' HD12 ' C' ' 13' ' ' ILE . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 56.3 107.748 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 93.16 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 11.74 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.444 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 6.91 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 21.95 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 5.12 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 9.28 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 8.82 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 12.04 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 30.41 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.573 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 48.75 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 55.24 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 88.6 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 68.93 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.568 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 87.15 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.713 HD13 HD11 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 94.05 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 71.87 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.8 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 62.96 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 35.73 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 56.22 110.144 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 43.42 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 94.06 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 81.86 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 29.6 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 20.9 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 69.19 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 14.53 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.42 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.437 HG23 HD13 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 17.7 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 29.53 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 32.22 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 59.66 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 97.29 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 76.35 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 37.0 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.67 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 34.06 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 39.96 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 16.54 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 9.25 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.804 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 25.23 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 10.6 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' C' ' 51' ' ' LEU . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 30.38 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.731 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.634 0.254 . . . . 99.99 111.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 68.51 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 56.52 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.475 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 56.59 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 39.21 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 8.71 111.446 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 37.06 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 16.74 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 9.85 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.475 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 5.88 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 7.64 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 20.64 111.764 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.411 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 13.9 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.437 HD13 HG23 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 8.58 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 8.54 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 6.56 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 5.22 111.384 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.409 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 28.53 110.592 174.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 17.6 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 15.17 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 24.81 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 29.42 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 59.85 111.369 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 41.85 109.01 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.713 HD11 HD13 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 38.57 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 24.62 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 24.48 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 68.05 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 76.43 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.571 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 79.46 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.602 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 53.22 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.564 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 19.87 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 8.43 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 36.9 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 4.02 107.789 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 7.64 110.296 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 5.08 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 7.19 108.151 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 13.41 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.641 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 12.01 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 20.55 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 22.26 110.365 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 34.6 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 31.63 109.965 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 49.29 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 31.29 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.42 HG11 HD11 ' D' ' 126' ' ' LEU . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 52.79 106.315 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' D' ' 65' ' ' THR . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.663 HD21 HG13 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 74.77 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.699 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.432 ' HG ' HD22 ' D' ' 42' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 66.01 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 77.52 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 38.8 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.434 ' HB3' HD11 ' D' ' 98' ' ' LEU . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 48.36 111.835 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 52.73 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.71 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 82.32 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 96.95 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' D' ' 85' ' ' SER . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 82.8 110.349 -168.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.738 HG22 HD12 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 44.56 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 19.48 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 52.2 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.663 HG13 HD21 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 9.25 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 10.79 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 9.72 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 19.36 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 11.33 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.554 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 29.87 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 24.97 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 27.84 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 11.35 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 10.67 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 7.73 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 11.05 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.65 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 5.05 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 21.68 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.441 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.1 tp-100 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.29 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 43.57 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.408 ' HA ' HG22 ' D' ' 55' ' ' VAL . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 77.58 109.701 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.52 HG22 ' HD2' ' D' ' 11' ' ' PHE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 88.57 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' D' ' 94' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.505 ' HA ' HD12 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 88.9 112.479 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 95.17 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.738 HD12 HG22 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 66.02 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 54.11 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 40.76 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 34.31 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 28.69 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 61.29 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 19.65 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 13.09 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 10.47 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 6.22 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 10.48 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 4.16 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.494 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 10.22 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.39 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.65 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 5.37 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 7.06 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 6.71 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 5.08 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.453 HG23 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 5.65 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 10.21 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 6.99 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 18.26 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 20.06 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 16.85 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.42 HD11 HG11 ' D' ' 40' ' ' VAL . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 14.84 110.745 -174.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 76.73 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.439 HD11 HD12 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 20.32 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 28.37 111.137 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.494 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 32.68 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 69.78 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' D' ' 134' ' ' ASP . 60.2 t30 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 . . . . . 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.438 ' CE3' HD22 ' C' ' 42' ' ' LEU . 2.0 t-105 . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 121.511 0.672 . . . . 99.99 112.266 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.415 ' N ' HD13 ' E' ' 291' ' ' LEU . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.626 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' HD12 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 87.02 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 27.8 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 12.57 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HZ1' ' HG3' ' B' ' 29' ' ' PRO . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 37.56 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 5.43 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 6.92 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 5.61 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 12.68 108.753 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 32.78 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 57.34 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 48.36 111.268 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 42' ' ' LEU . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 97.85 108.491 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.566 ' HG ' HG11 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 43.33 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 41.53 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 88.8 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 73.87 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.04 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 54.22 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HG2' ' A' ' 79' ' ' GLN . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 29.36 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 19.86 107.091 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 13.6 109.685 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 17.22 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 14.92 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 21.43 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 23.61 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 57.75 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 93.1 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 30.12 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 22.88 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 30.01 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 14.44 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 9.47 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 20.02 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 66.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t . . . . . 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.557 1.212 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 95.56 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 94.48 113.531 -174.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 73.2 112.234 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.582 ' HD3' HG11 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 48.9 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 94.19 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 55.88 110.793 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 21.71 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 15.39 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 9.95 113.11 172.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 20.66 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 7.34 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 15.45 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 4.41 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 7.34 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.433 HG21 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 7.28 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 4.96 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 48.88 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 26.6 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 17.97 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 8.38 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 20.1 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 13.71 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 20.05 113.801 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 56.76 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 62.97 112.048 177.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 56.46 111.427 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 77.42 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.563 -0.532 . . . . 93.55 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 40.88 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 85.25 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 95.33 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 13.6 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 23.1 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 6.51 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 19.94 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 5.14 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 19.25 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 9.84 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 18.09 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 49.39 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.551 ' HG3' ' HZ1' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.58 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 98.87 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 72.1 112.069 -168.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 96.73 108.196 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 67.27 111.123 -165.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 59' ' ' VAL . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 66.97 109.734 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 35.64 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 74.75 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 43.74 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 89.61 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 85.91 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 76.71 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . 0.555 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 98.07 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 57.34 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.406 ' O ' HG23 ' B' ' 46' ' ' THR . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 21.57 108.702 -172.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 62.33 109.427 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 95.32 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 14.84 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 28.15 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 18.14 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 24.35 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 26.44 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.584 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 56.64 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 62.67 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 81.37 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 33.32 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.584 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 25.99 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 18.76 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 16.93 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 12.76 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.716 HG21 ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 8.91 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 33.15 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 11.78 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 39.34 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 63.88 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 82.93 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 98.2 110.948 -172.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.555 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 71.23 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 59.87 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 71.19 112.392 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . 0.533 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 50.37 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 36.29 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 87.59 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 37.19 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 13.07 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 10.37 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . 0.523 ' HE2' HG21 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 12.29 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 8.75 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 59.14 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.716 ' HB3' HG21 ' B' ' 78' ' ' VAL . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 13.3 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.518 ' O ' HG23 ' B' ' 118' ' ' VAL . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 9.86 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 13.13 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.02 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.553 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 26.78 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 13.3 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 29.79 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 23.15 112.539 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 23.84 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 29.89 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 125' ' ' GLN . 0.0 OUTLIER -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 72.13 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 73.04 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.491 HD11 HD12 ' B' ' 114' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 90.81 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 43.15 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 61.27 111.403 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.57 110.934 -173.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 56.3 107.742 170.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 93.16 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 11.74 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 6.91 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 21.95 109.316 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 5.12 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . 0.544 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 9.28 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 8.82 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 12.04 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 30.41 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.508 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 48.75 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 55.24 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 88.6 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 68.93 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.401 HG13 ' NE1' ' E' ' 290' ' ' TRP . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 87.15 108.462 171.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.423 ' H ' HD23 ' C' ' 42' ' ' LEU . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 94.05 108.548 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.617 HD11 HD23 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 71.87 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 62.96 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 35.73 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 56.22 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 43.42 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 94.06 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 81.86 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.545 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 29.6 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 20.9 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.617 HD23 HD11 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 69.19 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 14.53 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.42 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.526 HG23 HD13 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 17.7 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 29.53 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 32.22 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 59.66 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 97.29 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 76.35 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 37.0 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 34.06 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 39.96 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 16.54 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.412 ' N ' HD13 ' C' ' 75' ' ' LEU . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 9.25 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 25.23 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.0 tp-100 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 10.6 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 30.38 108.563 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . 0.545 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.459 -0.2 . . . . 99.99 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 68.51 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 56.52 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.459 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 56.59 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 39.21 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' C' ' 105' ' ' ILE . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 8.71 110.072 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.46 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 37.06 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 16.74 113.411 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 9.85 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 5.88 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 7.64 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 20.64 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 13.9 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.526 HD13 HG23 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 8.58 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 8.54 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 6.56 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.523 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 5.22 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 114' ' ' ILE . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 28.53 109.491 173.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 17.6 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 15.17 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 24.81 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 29.42 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 59.85 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.473 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 41.85 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 38.57 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 24.62 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 24.48 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 68.05 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 76.43 105.758 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.47 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 79.46 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 53.22 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 19.87 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 8.43 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 36.9 110.299 176.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.607 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.523 HG21 ' HE2' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 4.02 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 7.64 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 5.08 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 7.19 107.319 172.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 13.41 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 12.01 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 20.55 113.186 -171.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 22.26 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' D' ' 73' ' ' ALA . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 34.6 111.341 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 31.63 109.787 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 49.29 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 31.29 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.62 HG23 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 52.79 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 74.77 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.423 ' N ' HD13 ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 66.01 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 77.52 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 38.8 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 48.36 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 52.73 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.71 108.76 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 82.32 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 96.95 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' D' ' 85' ' ' SER . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 82.8 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . 0.42 ' CE2' HD13 ' D' ' 86' ' ' ILE . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 44.56 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 19.48 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 52.2 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 9.25 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 10.79 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 9.72 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 19.36 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 11.33 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 29.87 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 24.97 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 27.84 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 11.35 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 10.67 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 7.73 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 11.05 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.469 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 5.05 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 21.68 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.29 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 43.57 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.452 ' HA ' HG22 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 77.58 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 88.57 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.703 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . 0.516 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 88.9 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 95.17 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.407 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 66.02 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 54.11 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 40.76 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 34.31 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 28.69 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 61.29 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.47 HG21 HD13 ' D' ' 13' ' ' ILE . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 19.65 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 13.09 112.731 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . 0.401 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 10.47 114.005 -173.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 6.22 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 10.48 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 4.16 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 10.22 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.39 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.538 HD13 HG21 ' D' ' 64' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 5.37 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . 0.523 HG21 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 7.06 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 6.71 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.469 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 5.08 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 5.65 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 10.21 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 6.99 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 18.26 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 20.06 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . 0.413 ' HG3' HG23 ' D' ' 115' ' ' THR . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 16.85 112.426 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 14.84 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 76.73 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 20.32 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 28.37 110.315 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 32.68 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 69.78 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.401 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' HG13 ' C' ' 40' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . 0.537 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 87.02 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 27.8 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 12.57 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 37.56 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 5.43 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 6.92 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 5.61 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 12.68 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 32.78 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' HE3' ' B' ' 19' ' ' LYS . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.495 ' HA ' HE21 ' A' ' 33' ' ' GLN . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 30' ' ' HIS . 51.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 57.34 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 48.36 108.959 171.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 97.85 110.104 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 43.33 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 41.53 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 88.8 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 73.87 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.04 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 54.22 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 29.36 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 19.86 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 13.6 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 17.22 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 14.92 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 21.43 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 23.61 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 57.75 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 93.1 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 30.12 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 22.88 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 30.01 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 14.44 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 9.47 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 20.02 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 66.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 95.56 111.614 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 94.48 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 73.2 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 48.9 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 94.19 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 55.88 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD21 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 21.71 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 15.39 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 9.95 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 20.66 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 7.34 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 15.45 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.496 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 4.41 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG13 HG21 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 7.34 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 7.28 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 4.96 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 48.88 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 26.6 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 17.97 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 8.38 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 20.1 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 13.71 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 20.05 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 56.76 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 62.97 111.025 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 56.46 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 77.42 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 110.201 -0.296 . . . . 93.55 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.478 ' HA ' HE21 ' B' ' 12' ' ' GLN . 0.0 OUTLIER -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 40.88 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 85.25 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 95.33 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.542 HG23 HD22 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 13.6 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 23.1 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.618 HG21 HD11 ' B' ' 21' ' ' ILE . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 6.51 108.832 173.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 28' ' ' ALA . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 19.94 110.373 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.618 HD11 HG21 ' B' ' 18' ' ' THR . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 5.14 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.499 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 19.25 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 9.84 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 18.09 108.866 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 49.39 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.552 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 98.87 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 72.1 109.7 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.459 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 96.73 110.283 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.473 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.438 HD23 HD21 ' B' ' 60' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 67.27 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 66.97 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 35.64 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 74.75 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 43.74 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 89.61 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 85.91 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 76.71 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 98.07 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.548 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.468 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 57.34 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 21.57 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.438 HD21 HD23 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 62.33 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 95.32 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.743 HG11 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 14.84 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 28.15 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.589 HG21 HG21 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 18.14 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 24.35 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 26.44 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.52 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 56.64 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 62.67 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 81.37 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 33.32 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.52 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 25.99 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 18.76 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 16.93 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 12.76 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.456 HG13 HD13 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 8.91 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 33.15 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 11.78 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 39.34 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.468 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 63.88 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 82.93 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.486 ' H ' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 98.2 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 71.23 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 59.87 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 71.19 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 50.37 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 36.29 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 87.59 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 37.19 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.542 HD22 HG23 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 13.07 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 10.37 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 12.29 111.068 -176.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 8.75 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.671 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 59.14 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 13.3 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.611 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 9.86 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 13.13 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.02 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 26.78 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 13.3 110.4 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 29.79 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.496 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.461 HG22 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 23.15 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.512 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 23.84 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 29.89 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.403 ' HB3' HE21 ' C' ' 125' ' ' GLN . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 73.04 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.743 HD21 HG11 ' B' ' 62' ' ' VAL . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 90.81 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 43.15 111.702 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 61.27 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.57 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.591 0.234 . . . . 99.99 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 56.3 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.403 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 93.16 111.278 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . 0.54 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 11.74 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . 0.619 HG22 HE22 ' C' ' 80' ' ' GLN . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 6.91 109.815 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 21.95 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 5.12 107.492 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 9.28 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 8.82 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 12.04 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 30.41 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.486 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 48.75 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.508 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 55.24 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 88.6 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 68.93 112.117 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 87.15 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 94.05 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 71.87 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 62.96 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 35.73 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 56.22 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 43.42 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 94.06 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 81.86 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 29.6 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 20.9 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 69.19 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 14.53 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.42 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 17.7 108.901 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 29.53 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 32.22 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 59.66 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 97.29 110.492 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 76.35 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 37.0 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 34.06 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 39.96 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.465 HD23 HG23 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 16.54 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 9.25 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.675 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 25.23 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . 0.619 HE22 HG22 ' C' ' 18' ' ' THR . 9.6 tp-100 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 10.6 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 30.38 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 121.32 0.581 . . . . 99.99 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.492 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 68.51 114.122 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 56.52 110.586 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.408 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 56.59 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 39.21 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 8.71 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 37.06 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 16.74 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 9.85 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 5.88 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 7.64 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 20.64 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.714 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 13.9 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 8.58 110.507 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 8.54 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 6.56 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.441 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 5.22 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 28.53 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 17.6 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . 0.56 HG23 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 15.17 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 24.81 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 29.42 111.675 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 125' ' ' GLN . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' C' ' 126' ' ' LEU . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 59.85 104.276 170.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 41.85 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.546 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 38.57 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 24.62 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 24.48 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 68.05 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 76.43 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG23 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 79.46 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . 0.542 HG23 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 53.22 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.56 ' HB3' HG23 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 19.87 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 8.43 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 36.9 110.581 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.441 HG21 ' HE2' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 4.02 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 7.64 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 5.08 105.692 167.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 7.19 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 13.41 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 54.4 m-20 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 12.01 115.918 -170.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 20.55 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 22.26 109.739 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 34.6 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . 0.638 ' HZ1' ' HB3' ' D' ' 71' ' ' GLU . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 31.63 110.412 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 49.29 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 31.29 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 52.79 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.51 HD21 HD22 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 74.77 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 66.01 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 77.52 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 38.8 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 48.36 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 52.73 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.71 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 82.32 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 96.95 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 82.8 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 44.56 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 19.48 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 52.2 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 9.25 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 10.79 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 9.72 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 19.36 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 11.33 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 29.87 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.44 HD12 HG13 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 24.97 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 27.84 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . 0.638 ' HB3' ' HZ1' ' D' ' 34' ' ' LYS . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 11.35 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.524 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 10.67 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 7.73 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 11.05 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 5.05 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 21.68 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.29 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.433 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 43.57 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 77.58 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 88.57 108.813 -167.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.793 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.793 ' HB2' HD13 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 88.9 111.718 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 95.17 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 66.02 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 54.11 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 40.76 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 34.31 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 28.69 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . 0.583 HD21 ' HB2' ' D' ' 133' ' ' PHE . 0.8 OUTLIER -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 61.29 110.85 174.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 19.65 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 13.09 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 10.47 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 6.22 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . 0.405 ' HE2' ' HD3' ' B' ' 111' ' ' ARG . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 10.48 111.92 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 4.16 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.692 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 10.22 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.39 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' D' ' 76' ' ' CYS . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 5.37 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 7.06 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 6.71 110.959 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.423 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 5.08 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 5.65 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 10.21 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.714 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 6.99 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 18.26 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . 0.553 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 20.06 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 16.85 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 14.84 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . 0.438 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 76.73 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.51 HD22 HD21 ' D' ' 42' ' ' LEU . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 20.32 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 28.37 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.692 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 32.68 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 69.78 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' D' ' 104' ' ' ASN . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.241 0.615 0 CA-C-O 120.587 0.232 . . . . 99.99 110.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 108.325 -0.991 . . . . 99.99 108.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 87.02 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 27.8 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 12.57 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 37.56 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 5.43 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 6.92 109.755 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 5.61 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 12.68 108.724 177.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 32.78 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 20.0 m-70 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HD3' HD11 ' A' ' 68' ' ' LEU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 57.34 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 48.36 109.424 -175.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 97.85 109.031 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' ' 60' ' ' LEU . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 43.33 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 41.53 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 88.8 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 73.87 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.04 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 54.22 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 29.36 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 19.86 107.554 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 13.6 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 17.22 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 14.92 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 21.43 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 23.61 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 57.75 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.626 HD11 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 93.1 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 30.12 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 22.88 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 30.01 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 14.44 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 9.47 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 20.02 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 66.87 108.512 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HD2' HG12 ' A' ' 13' ' ' ILE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 95.56 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 94.48 114.066 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 73.2 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 48.9 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 94.19 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 55.88 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.406 HD21 ' HA3' ' A' ' 82' ' ' GLY . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 21.71 111.668 174.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 15.39 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 9.95 114.134 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 20.66 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 7.34 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 15.45 110.72 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 4.41 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 7.34 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 7.28 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 4.96 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 48.88 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 26.6 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 17.97 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.708 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 8.38 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 122' ' ' THR . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 121' ' ' GLY . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 20.1 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 13.71 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 20.05 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 56.76 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 62.97 109.857 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 56.46 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 77.42 113.621 -168.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.716 -0.476 . . . . 93.55 109.716 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 40.88 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.461 HE22 HG13 ' B' ' 55' ' ' VAL . 40.0 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 85.25 110.969 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.426 ' NE ' HG21 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 95.33 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 13.6 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.452 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 23.1 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 6.51 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 19.94 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 5.14 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 19.25 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 9.84 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 18.09 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 39.5 m-80 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 49.39 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 10.1 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 98.87 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 72.1 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.51 ' H ' HD23 ' B' ' 42' ' ' LEU . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 96.73 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 67.27 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 66.97 109.759 -168.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 35.64 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 74.75 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 43.74 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 89.61 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 29' ' ' PRO . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 85.91 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.461 HG13 HE22 ' B' ' 14' ' ' GLN . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 76.71 107.394 170.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 98.07 108.493 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 57.34 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.441 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 21.57 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 95.32 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 14.84 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 28.15 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 18.14 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 24.35 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 26.44 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 56.64 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 62.67 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 81.37 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 33.32 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 25.99 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 18.76 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 16.93 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 12.76 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 8.91 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 1.6 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 33.15 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 11.78 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 39.34 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 63.88 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 82.93 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 98.2 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.429 HG23 ' HG3' ' B' ' 94' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 71.23 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 59.87 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 71.19 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 50.37 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 36.29 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 87.59 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 37.19 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 13.07 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 10.37 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 12.29 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 8.75 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 59.14 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.708 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.512 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 13.3 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' B' ' 76' ' ' CYS . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 9.86 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 13.13 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.02 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 26.78 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 13.3 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . 0.47 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 29.79 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.466 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.408 ' HA ' ' ND2' ' C' ' 127' ' ' ASN . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 23.15 112.175 173.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 23.84 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 29.89 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 72.13 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 73.04 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 90.81 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 43.15 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 61.27 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.57 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 110.276 -0.268 . . . . 99.99 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 56.3 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 93.16 110.695 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 11.74 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 6.91 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 21.95 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . 0.646 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 5.12 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 9.28 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 8.82 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 12.04 108.385 167.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 30.41 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 48.75 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 55.24 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.425 ' HA ' ' HZ3' ' C' ' 36' ' ' TRP . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 88.6 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' TRP . . . . . 0.425 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 68.93 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 87.15 108.749 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 94.05 106.178 170.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.621 HD21 HD12 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 71.87 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 62.96 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 35.73 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 56.22 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 43.42 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.703 HD11 HD12 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 94.06 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 81.86 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' C' ' 102' ' ' CYS . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 29.6 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . 0.448 HG22 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 20.9 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.621 HD12 HD21 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 69.19 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 14.53 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.42 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 17.7 108.292 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 29.53 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 32.22 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 59.66 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 97.29 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 76.35 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 37.0 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 34.06 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 39.96 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' LEU . . . . . 0.448 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 16.54 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' CYS . . . . . 0.448 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 9.25 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 25.23 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 10.6 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ILE . . . . . 0.703 HD12 HD11 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 30.38 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.611 -0.144 . . . . 99.99 110.611 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' LEU . . . . . 0.686 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 68.51 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 56.52 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 56.59 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' PRO . . . . . 0.422 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 39.21 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 8.71 109.721 169.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . 0.498 HD12 HD23 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 37.06 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 16.74 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 9.85 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 5.88 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 7.64 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 20.64 110.54 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.431 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 13.9 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 8.58 110.443 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' THR . . . . . 0.476 HG23 HE21 ' C' ' 125' ' ' GLN . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 8.54 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 6.56 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' MET . . . . . 0.569 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 5.22 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 28.53 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 17.6 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 15.17 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 24.81 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 29.42 117.244 -177.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . 0.476 HE21 HG23 ' C' ' 115' ' ' THR . 0.6 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' LEU . . . . . 0.411 HD11 ' CH2' ' E' ' 290' ' ' TRP . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 59.85 110.443 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' B' ' 122' ' ' THR . 65.6 m-20 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 41.85 109.852 173.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 38.57 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 24.62 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 24.48 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 68.05 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 76.43 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.434 HD13 HG21 ' D' ' 105' ' ' ILE . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 79.46 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 53.22 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' TYR . . . . . 0.401 ' HB3' HG23 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 19.87 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 8.43 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 36.9 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.569 HD13 ' HE3' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 4.02 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 7.64 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 5.08 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 7.19 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 13.41 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . 0.84 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 12.01 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' PRO . . . . . 0.532 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 20.55 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 22.26 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 34.6 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 31.63 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 49.29 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 31.29 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 52.79 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.4 HD11 HG13 ' D' ' 62' ' ' VAL . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 74.77 109.787 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 66.01 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 77.52 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 38.8 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 48.36 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 52.73 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.71 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 82.32 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 96.95 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 55' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 82.8 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 58' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 44.56 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 59' ' ' VAL . . . . . 0.495 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 19.48 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 52.2 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 62' ' ' VAL . . . . . 0.4 HG13 HD11 ' D' ' 42' ' ' LEU . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 9.25 107.216 162.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 10.79 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 64' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 9.72 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 65' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 19.36 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 66' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 11.33 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 67' ' ' SER . . . . . 0.491 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 29.87 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 24.97 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 27.84 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 11.35 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 10.67 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 7.73 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 11.05 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 76' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 5.05 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 79' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 21.68 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 80' ' ' GLN . . . . . 0.422 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.6 tp-100 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 81' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.29 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 43.57 108.755 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 85' ' ' SER . . . . . 0.461 ' HB3' HG22 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 77.58 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 88.57 109.431 174.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 89' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 94' ' ' MET . . . . . 0.675 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 88.9 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 95.17 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 66.02 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 54.11 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 40.76 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 34.31 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 28.69 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 61.29 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 105' ' ' ILE . . . . . 0.434 HG21 HD13 ' D' ' 13' ' ' ILE . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 19.65 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.422 HD13 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 13.09 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 10.47 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 108' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 6.22 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 10.48 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 4.16 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 111' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 10.22 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.39 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 114' ' ' ILE . . . . . 0.717 HG23 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 5.37 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 7.06 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 6.71 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 117' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 5.08 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 5.65 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 10.21 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 6.99 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 18.26 111.252 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 20.06 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 16.85 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 14.84 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 76.73 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.476 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 20.32 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 28.37 111.445 -176.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 130' ' ' PRO . . . . . 0.449 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 32.68 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 69.78 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 290' ' ' TRP . . . . . 0.411 ' CH2' HD11 ' C' ' 126' ' ' LEU . 90.6 m95 . . . . . 0 CA--C 1.547 0.828 0 CA-C-O 121.656 0.741 . . . . 99.99 112.22 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' HD1' ' E' ' 290' ' ' TRP . 3.9 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.236 -0.411 . . . . 99.99 110.788 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -110.37 8.39 23.28 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 118.755 0.707 . . . . 99.99 111.149 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HH11 ' E' ' 289' ' ' ARG . 0.1 OUTLIER -115.01 45.45 1.61 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.596 0.712 . . . . 99.99 109.235 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' HG3' ' HA2' ' E' ' 292' ' ' GLY . 8.5 tt0 -53.2 109.19 0.4 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.502 -0.925 . . . . 99.99 108.502 172.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -47.39 -68.23 0.21 Allowed 'General case' 0 C--N 1.36 1.028 0 O-C-N 125.003 1.44 . . . . 99.99 111.008 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.3 t30 30.22 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.292 1.837 . . . . 99.99 113.099 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.74 63.03 0.84 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.604 1.162 . . . . 99.99 110.085 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.17 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.056 1.343 . . . . 99.99 110.981 -167.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.534 ' SD ' HG23 ' A' ' 89' ' ' ILE . 18.0 ptt? -102.02 132.58 47.78 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.612 1.165 . . . . 99.99 108.552 172.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -157.12 144.95 19.1 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.638 0.732 . . . . 99.99 111.157 -172.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -92.33 119.05 31.52 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 106.064 -1.828 . . . . 99.99 106.064 167.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -134.57 112.88 11.22 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.686 0.394 . . . . 99.99 110.834 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' C' ' 130' ' ' PRO . 38.1 mt -76.29 125.32 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.374 -0.602 . . . . 63.61 109.374 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -106.91 -17.78 14.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.589 0.756 . . . . 99.99 110.245 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -163.47 138.41 6.3 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.6 0.36 . . . . 87.02 110.371 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.906 ' HB ' HH12 ' C' ' 111' ' ' ARG . 66.0 mt -135.23 133.07 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.567 -1.271 . . . . 27.8 107.567 173.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.639 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 1.2 p90 -163.89 161.01 22.78 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.716 0.635 . . . . 37.37 110.983 -170.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.603 HG21 ' SG ' ' A' ' 113' ' ' CYS . 67.5 p -89.7 107.53 19.15 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.556 -0.905 . . . . 12.57 108.556 174.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 42.8 mtpt -70.82 -41.97 70.83 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.225 0.536 . . . . 37.56 110.007 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . 5.0 m-20 -136.08 134.23 38.18 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.406 -0.816 . . . . 38.09 109.443 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.74 146.29 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.876 1.27 . . . . 5.43 107.7 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -152.74 128.58 10.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.676 0.274 . . . . 6.92 111.139 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 75.2 t80 -131.61 124.82 30.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.191 1.397 . . . . 5.61 107.589 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 50.5 mt-10 -129.15 117.89 21.54 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.63 -0.878 . . . . 36.27 108.63 173.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 80.92 68.14 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 108.651 -0.87 . . . . 12.68 108.651 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.99 -36.17 39.54 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.924 2.416 . . . . 32.78 110.828 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -103.05 32.89 3.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.266 -1.334 . . . . 80.05 110.24 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.46 98.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.897 0.879 . . . . 31.49 112.679 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' ' HE3' ' B' ' 19' ' ' LYS . 84.0 Cg_endo -86.98 -3.71 8.02 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.521 1.481 . . . . 44.68 113.258 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -99.27 -9.8 23.17 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.028 0.931 . . . . 99.99 111.035 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -55.19 -28.52 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 124.611 1.164 . . . . 99.99 112.313 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.23 -39.81 18.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.001 0.92 . . . . 99.99 110.776 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.12 -21.53 36.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.772 0.429 . . . . 99.99 111.341 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -82.58 167.46 18.3 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.199 0.6 . . . . 99.99 112.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-20 -70.01 144.14 52.34 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.614 -1.176 . . . . 99.99 109.866 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' HZ2' ' HB3' ' E' ' 148' ' ' GLU . 40.6 t90 -84.35 63.47 7.8 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 172.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -144.58 67.49 14.31 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 123.825 0.85 . . . . 99.99 109.662 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HG3' ' H ' ' E' ' 471' ' ' LYS . 56.0 Cg_endo -87.59 147.64 7.29 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.194 1.93 . . . . 57.34 112.029 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 109.3 22.03 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 106.517 -1.66 . . . . 99.99 106.517 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' E' ' 467' ' ' ALA . 45.7 t -86.25 111.77 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.026 -0.731 . . . . 48.36 109.026 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 57.7 tttm -93.94 137.57 33.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.578 1.151 . . . . 99.99 110.252 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 HD21 ' E' ' 468' ' ' LEU . 44.2 tp -121.15 148.18 44.56 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.497 -1.297 . . . . 97.85 107.497 169.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.14 134.83 30.19 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.481 -0.933 . . . . 85.15 108.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 ' HB2' ' E' ' 464' ' ' MET . 82.1 mt -105.69 132.98 51.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.526 0.731 . . . . 99.99 109.961 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 10.4 t70 -146.96 139.92 25.2 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 123.677 0.791 . . . . 78.84 109.003 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.8 m -143.44 133.45 24.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.122 0.969 . . . . 43.33 109.947 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.26 153.54 41.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.379 1.072 . . . . 41.53 109.157 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -132.11 161.3 33.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.075 0.55 . . . . 88.8 110.208 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.1 t -157.69 152.78 25.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.634 0.774 . . . . 73.87 110.621 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.78 144.41 26.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.93 -0.767 . . . . 99.99 108.93 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.7 mt -119.28 -42.43 2.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.466 0.706 . . . . 99.99 110.18 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.34 -172.64 3.26 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.396 0.679 . . . . 99.99 110.262 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.0 110.81 2.6 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.764 0.826 . . . . 99.99 110.743 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 64.47 4.63 2.31 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.471 1.508 . . . . 99.99 112.841 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 75.2 t -103.76 114.57 43.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.39 -1.337 . . . . 99.99 107.39 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.487 ' HE1' ' HB3' ' E' ' 450' ' ' ASN . 30.6 t80 -128.65 166.19 19.39 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.8 tt0 -133.04 146.38 51.66 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.758 0.823 . . . . 57.04 110.856 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.9 t -132.86 131.94 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 106.978 -1.49 . . . . 54.22 106.978 162.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 58.7 t -109.45 136.09 46.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 124.197 0.999 . . . . 29.36 109.042 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.17 112.99 25.32 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 106.812 -1.551 . . . . 19.86 106.812 172.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 20.8 ttp180 -98.26 102.99 14.9 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 114' ' ' ILE . 17.5 t -94.25 130.06 43.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 107.26 -1.385 . . . . 13.6 107.26 172.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.4 m -120.7 110.71 16.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.286 0.565 . . . . 17.22 109.692 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 81.9 t -101.65 137.44 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.053 -1.462 . . . . 14.92 107.053 174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 14.9 m -144.99 149.71 35.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.02 -1.104 . . . . 21.43 108.02 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.42 126.22 27.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.249 -1.759 . . . . 23.61 106.249 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 p -141.9 155.28 45.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.656 0.382 . . . . 57.75 110.701 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 35' ' ' ASP . 3.0 tt -130.14 84.88 2.24 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.54 -119.53 5.81 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 115.135 -0.939 . . . . 93.1 111.302 -173.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -87.97 -27.58 21.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.186 0.594 . . . . 99.99 110.201 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.04 106.7 15.08 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.095 0.558 . . . . 99.99 110.463 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -79.89 135.02 36.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.502 0.721 . . . . 30.12 110.596 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' E' ' 471' ' ' LYS . . . -69.72 -66.78 0.54 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.59 0.756 . . . . 22.88 109.093 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.23 162.9 38.54 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.725 -1.579 . . . . 30.01 110.248 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 62.6 tp -127.9 139.7 52.45 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 107.362 -1.347 . . . . 14.44 107.362 167.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 61.4 m -142.19 95.82 2.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.235 -0.654 . . . . 14.43 109.235 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -123.31 127.26 48.28 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 109.135 -0.691 . . . . 35.14 109.135 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.36 112.14 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.894 0.878 . . . . 9.47 109.471 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.647 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 34.3 mt-30 -82.53 84.01 7.37 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.84 -1.17 . . . . 43.33 107.84 167.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -75.36 92.34 2.79 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 108.144 -1.058 . . . . 15.31 108.144 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.06 146.6 23.1 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 110.814 -0.915 . . . . 20.02 110.814 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -138.9 131.9 5.5 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.214 -1.154 . . . . 41.88 110.214 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.34 113.98 24.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.086 -0.709 . . . . 66.87 109.086 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD2' HG12 ' A' ' 13' ' ' ILE . 77.0 m-85 -112.63 117.57 32.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.578 1.151 . . . . 77.52 108.543 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 t -84.38 90.03 7.5 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.624 -1.251 . . . . 99.99 107.624 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 98' ' ' LEU . 14.2 tt -113.14 119.71 61.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.056 -0.974 . . . . 99.99 109.442 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.88 168.97 13.58 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 123.976 0.91 . . . . 99.99 110.754 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.23 -32.48 5.91 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.61 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.534 HG23 ' SD ' ' A' ' 9' ' ' MET . 1.4 pp -111.74 162.85 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 99.99 109.856 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.85 179.54 8.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.798 0.439 . . . . 99.99 111.133 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.19 -148.1 42.06 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.414 -0.812 . . . . 99.99 114.075 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -64.44 -21.01 66.52 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.15 0.58 . . . . 99.99 111.619 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -56.67 -65.62 0.58 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.092 0.957 . . . . 99.99 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' HG12 ' E' ' 452' ' ' VAL . 0.0 OUTLIER -67.92 -30.61 69.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 99.99 111.032 -177.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.38 91.68 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.603 0.761 . . . . 99.99 111.722 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -90.86 -20.38 22.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.784 -0.644 . . . . 99.99 111.558 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.896 0.478 . . . . 99.99 110.871 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 3.6 pp -100.95 -27.4 13.32 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.704 0.402 . . . . 99.99 110.668 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.71 -28.1 52.17 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 114.076 0.39 . . . . 99.99 114.076 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -43.93 1.29 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.233 0.613 . . . . 95.56 111.812 -173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -76.28 -47.5 23.51 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.394 0.678 . . . . 94.48 111.138 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 86.9 m -57.69 -50.47 87.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-O 118.178 -0.915 . . . . 73.2 113.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.443 ' HD3' HG11 ' A' ' 58' ' ' VAL . 34.1 Cg_endo -62.63 -31.25 79.52 Favored 'Trans proline' 0 C--N 1.387 2.588 0 C-N-CA 121.498 1.465 . . . . 48.9 112.464 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -67.84 -35.48 78.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.641 0.376 . . . . 94.19 111.156 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 43.2 mm -77.96 -27.6 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.776 0.43 . . . . 55.88 110.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.3 mt -72.62 -21.06 61.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.511 0.724 . . . . 21.71 111.328 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.4 -44.72 99.43 Favored Pre-proline 0 CA--C 1.563 1.474 0 N-CA-C 113.935 1.087 . . . . 15.39 113.935 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 87.6 Cg_exo -54.33 -39.66 86.09 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 122.455 2.104 . . . . 9.95 114.433 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' C' ' 108' ' ' PRO . 66.5 m-85 -76.33 -33.27 59.0 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.138 0.575 . . . . 20.66 111.251 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.67 67.83 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.882 -0.784 . . . . 7.34 108.882 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' C' ' 105' ' ' ILE . 33.2 ttm180 -55.41 -45.77 76.66 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.412 1.085 . . . . 15.45 109.62 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.72 -53.76 53.49 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 124.612 1.195 . . . . 46.26 110.263 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.603 ' SG ' HG21 ' A' ' 18' ' ' THR . 51.8 t -58.19 -50.68 72.68 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.169 0.918 . . . . 4.41 111.297 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.554 HG22 HD21 ' A' ' 126' ' ' LEU . 86.1 mt -56.22 -46.87 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.606 1.162 . . . . 7.34 110.778 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.701 HG23 ' HG3' ' A' ' 125' ' ' GLN . 16.0 m -56.67 -42.84 79.72 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 124.132 0.895 . . . . 7.28 111.504 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.2 t -71.0 -52.01 22.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.323 0.649 . . . . 4.96 111.195 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' CYS . 4.7 ppp? -69.65 -30.46 68.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.071 0.949 . . . . 48.88 112.353 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.64 -36.62 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 110.066 -0.346 . . . . 26.6 110.066 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -73.32 -21.25 60.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.762 0.825 . . . . 17.97 110.922 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.55 -24.89 62.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.655 0.782 . . . . 8.38 110.742 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.36 1.88 88.39 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.717 0.636 . . . . 6.18 112.73 170.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.53 HG22 HH21 ' B' ' 15' ' ' ARG . 24.0 m 62.84 25.61 15.16 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.293 1.437 . . . . 20.1 110.541 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -88.81 160.83 43.13 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 114.624 -1.171 . . . . 13.71 109.433 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' E' ' 131' ' ' TRP . 53.1 Cg_endo -66.48 156.76 63.86 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 122.155 1.903 . . . . 20.05 113.881 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.701 ' HG3' HG23 ' A' ' 115' ' ' THR . 61.8 tt0 -75.88 156.01 34.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.953 -1.476 . . . . 39.31 110.631 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 114' ' ' ILE . 2.1 pt? -142.76 102.35 4.02 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 122.073 0.939 . . . . 56.76 109.092 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' C' ' 15' ' ' ARG . 12.4 m-80 -99.57 87.26 3.53 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 107.945 -1.131 . . . . 38.41 107.945 -177.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.05 148.26 40.9 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.121 0.888 . . . . 62.97 110.315 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.499 ' O ' HD23 ' E' ' 142' ' ' LEU . . . -66.04 159.39 70.95 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 122.952 0.501 . . . . 56.46 110.964 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' C' ' 105' ' ' ILE . 93.8 Cg_endo -86.12 161.18 10.08 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.428 2.085 . . . . 77.42 113.078 170.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.577 ' HB ' HD21 ' E' ' 142' ' ' LEU . 14.3 p -143.06 142.13 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 107.995 -1.113 . . . . 99.99 107.995 171.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -104.42 89.58 3.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.311 0.645 . . . . 99.99 110.888 -167.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.461 ' HA ' ' HB3' ' A' ' 136' ' ' LEU . 3.9 m-30 -84.24 -8.95 58.89 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.082 0.553 . . . . 99.99 111.536 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.26 -49.3 64.89 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.224 0.61 . . . . 99.99 109.6 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.29 96.52 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.66 -1.155 . . . . 99.99 110.821 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 133' ' ' PHE . 45.5 tp -60.58 -39.76 89.24 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.414 1.086 . . . . 99.99 111.544 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.81 -52.0 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.451 0.7 . . . . 99.99 109.72 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.6 tpp -63.29 -39.25 94.04 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.85 -0.613 . . . . 99.99 110.581 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -60.85 -51.67 68.33 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.613 1.165 . . . . 99.99 111.426 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -30.76 67.35 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.582 -0.525 . . . . 99.99 109.582 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.8 -54.32 36.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 123.369 0.668 . . . . 99.99 110.495 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -158.4 -16.45 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.685 1.194 . . . . 99.99 110.63 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 71.09 -54.17 0.67 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 126.004 1.721 . . . . 99.99 111.36 -171.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -53.61 -26.92 24.05 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.384 1.473 . . . . 99.99 112.934 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.81 -173.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.983 1.313 . . . . 99.99 111.514 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.61 170.42 26.66 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 66.35 -70.95 0.1 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.376 1.471 . . . . 99.99 111.663 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.89 114.06 6.48 Favored Glycine 0 C--N 1.345 1.042 0 N-CA-C 111.568 -0.613 . . . . 99.99 111.568 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.6 p -69.41 87.64 0.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.397 0.679 . . . . 99.99 110.718 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.92 148.05 50.45 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.964 -1.016 . . . . 99.99 110.716 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 112.6 9.68 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -143.32 121.19 11.98 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.617 -166.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' E' ' 286' ' ' MET . 24.3 mp0 -78.87 -178.76 6.19 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 169.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.04 -23.31 67.28 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.099 0.56 . . . . 99.99 112.118 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 124.758 1.223 . . . . 99.99 110.848 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 C--O 1.241 0.639 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -163.29 -76.0 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 171.55 -44.21 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.438 1.495 . . . . 99.99 107.045 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.58 116.87 8.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.72 -1.582 . . . . 99.99 110.116 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.81 19.11 11.58 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 125.201 1.401 . . . . 99.99 111.642 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.49 -57.73 2.81 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.6 m 65.7 -77.32 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.951 1.3 . . . . 99.99 110.283 -174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -160.19 115.9 2.36 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.941 -1.874 . . . . 99.99 105.941 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.786 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 6.1 tpt 65.03 166.27 0.17 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.889 1.275 . . . . 99.99 112.367 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.3 m -144.63 103.79 3.97 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.458 -2.053 . . . . 99.99 105.458 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -122.92 137.51 54.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.262 0.625 . . . . 93.55 110.278 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -169.28 136.24 1.75 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.265 0.978 . . . . 99.99 110.413 165.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.0 117.22 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.455 -0.943 . . . . 40.88 108.455 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -98.92 -43.02 6.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.831 0.452 . . . . 85.25 111.364 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.53 HH21 HG22 ' A' ' 122' ' ' THR . 38.1 ttt85 -158.71 142.47 15.24 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 121.987 0.115 . . . . 95.33 111.005 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.8 mt -116.36 137.19 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.671 1.189 . . . . 13.6 108.612 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' B' ' 83' ' ' ILE . 27.1 p90 -171.06 -179.84 2.85 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.266 0.555 . . . . 23.1 112.126 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 21' ' ' ILE . 93.5 m -108.14 133.84 51.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.354 1.062 . . . . 6.51 109.889 173.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HD3' ' A' ' 29' ' ' PRO . 42.5 mtpt -96.57 -33.27 11.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.805 0.442 . . . . 19.94 111.561 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' B' ' 79' ' ' GLN . 14.4 t70 -152.28 142.18 22.08 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.1 0.476 . . . . 37.8 111.407 -172.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 18' ' ' THR . 39.3 mm -135.83 146.39 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.495 1.518 . . . . 5.14 108.446 178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -146.6 143.44 28.83 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.089 -0.959 . . . . 19.25 108.704 168.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.3 t80 -156.01 114.84 3.46 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.568 -1.271 . . . . 9.84 107.568 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' B' ' 75' ' ' LEU . 1.9 mp0 -126.19 114.59 18.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.9 -1.148 . . . . 50.65 107.9 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.34 88.69 6.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.983 0.513 . . . . 18.09 110.013 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.04 -28.56 34.89 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.127 2.552 . . . . 31.77 111.88 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.504 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 36.5 m-80 -118.55 30.81 7.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.377 1.071 . . . . 49.39 109.774 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.53 -51.76 14.98 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 125.023 1.329 . . . . 51.5 113.638 170.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_exo -79.13 -23.42 7.68 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.479 2.12 . . . . 70.98 112.663 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 18.3 t60 -79.29 -10.25 59.77 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.301 1.04 . . . . 99.99 111.712 -170.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.97 -26.81 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.853 0.861 . . . . 99.99 112.869 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.57 -36.96 56.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.975 0.91 . . . . 99.99 113.048 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 11.0 pt20 -82.37 -21.21 35.99 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.526 0.516 . . . . 99.99 112.314 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.7 mttt -111.4 107.0 16.09 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.019 0.928 . . . . 98.87 111.844 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -112.84 91.71 3.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.659 0.784 . . . . 99.99 110.475 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -166.95 175.81 7.4 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.404 1.081 . . . . 99.99 109.712 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.04 114.03 35.96 Favored Pre-proline 0 N--CA 1.484 1.271 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -67.35 158.9 54.81 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.096 1.864 . . . . 63.52 114.501 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 5.9 tp10 -50.45 128.44 19.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.611 -1.177 . . . . 99.99 109.982 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 64' ' ' VAL . 59.7 t -124.07 130.9 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 109.397 -0.594 . . . . 72.1 109.397 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.595 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 48.2 mtpt -118.94 107.65 13.81 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.283 1.433 . . . . 99.99 107.948 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.13 128.49 40.57 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.555 0.742 . . . . 96.73 110.094 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 24.6 t70 -134.71 141.1 46.42 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 107.114 -1.439 . . . . 92.63 107.114 171.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.407 HD22 ' O ' ' E' ' 10' ' ' LEU . 6.9 mp -126.69 167.55 15.57 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.687 -0.486 . . . . 67.27 109.687 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' B' ' 61' ' ' ARG . 27.1 t70 -153.74 153.68 32.67 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.551 -0.75 . . . . 58.71 110.528 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.6 m -110.65 104.81 13.54 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.259 1.024 . . . . 66.97 109.227 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.89 141.26 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.317 -0.994 . . . . 35.64 108.317 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -145.05 167.64 22.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.496 0.718 . . . . 74.75 109.991 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.9 p -151.77 137.01 17.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.425 -0.954 . . . . 43.74 108.425 173.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -88.69 127.54 35.58 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.212 -0.662 . . . . 89.61 109.212 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.484 HD12 HG23 ' B' ' 83' ' ' ILE . 19.5 mt -101.53 -43.52 5.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 71.01 110.148 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.38 -176.09 5.64 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.695 0.798 . . . . 85.91 110.479 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.25 119.28 9.31 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.241 -0.651 . . . . 99.99 109.241 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 70.37 -4.85 1.49 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.367 1.467 . . . . 99.99 112.74 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 58.1 t -101.32 107.0 20.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 107.389 -1.338 . . . . 76.71 107.389 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.52 ' HE2' ' HB2' ' B' ' 87' ' ' ALA . 30.1 m-85 -123.64 136.93 54.77 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 107.912 -1.144 . . . . 98.07 107.912 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.432 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.2 tm-20 -104.05 106.72 17.33 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.286 -1.746 . . . . 46.84 106.286 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.06 137.94 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 116.093 -0.503 . . . . 57.34 110.278 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.38 131.19 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.154 0.982 . . . . 21.57 109.964 -167.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -105.64 103.14 12.58 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.335 -0.987 . . . . 62.33 108.335 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' B' ' 45' ' ' ASP . 67.5 ttt-85 -86.25 125.29 33.46 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.192 0.597 . . . . 95.32 109.39 176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.31 106.72 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.1 1.36 . . . . 14.84 108.479 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 18.3 m -97.7 128.53 44.45 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.611 1.164 . . . . 28.15 109.707 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.513 HG13 HG13 ' B' ' 40' ' ' VAL . 85.5 t -126.43 119.22 53.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.512 1.125 . . . . 18.14 108.858 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 72.5 m -110.87 127.98 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 24.35 108.59 171.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -118.51 141.72 48.29 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.238 0.615 . . . . 26.44 109.647 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.4 m -147.82 127.51 13.37 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.614 0.571 . . . . 56.64 110.222 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -92.92 100.16 12.67 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.003 -1.48 . . . . 62.67 107.003 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.73 -133.62 12.4 Favored Glycine 0 C--N 1.347 1.144 0 CA-C-N 115.517 -0.765 . . . . 81.37 111.739 -172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.12 29.78 4.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.611 0.764 . . . . 99.99 110.024 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.79 136.77 46.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.843 0.857 . . . . 99.99 108.724 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -67.18 132.91 48.76 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.734 0.646 . . . . 33.32 109.962 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.78 -60.29 1.95 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.447 -0.946 . . . . 25.99 108.447 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' B' ' 118' ' ' VAL . 54.2 p90 -154.65 167.32 30.53 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.547 -1.206 . . . . 18.76 109.981 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' B' ' 24' ' ' GLU . 36.3 mt -128.06 139.89 52.27 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.19 -1.782 . . . . 16.93 106.19 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -148.58 151.64 35.41 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.912 -0.773 . . . . 12.76 108.912 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -164.0 137.06 5.22 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.253 -0.647 . . . . 30.38 109.253 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -131.42 147.21 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.085 0.954 . . . . 8.91 108.872 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' B' ' 20' ' ' ASP . 8.2 mt-30 -118.65 98.76 6.39 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.828 -1.175 . . . . 33.15 107.828 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.6 tp-100 -80.64 99.77 8.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.683 -0.858 . . . . 11.26 108.683 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.68 165.95 18.0 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 115.157 -0.928 . . . . 11.78 111.269 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.82 139.06 5.6 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.022 -0.831 . . . . 23.01 111.022 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 51' ' ' LEU . 68.0 mt -84.3 126.85 40.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 108.034 -1.099 . . . . 39.34 108.034 174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.81 150.15 44.36 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.37 1.068 . . . . 63.88 109.187 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.0 p -102.65 100.46 10.51 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.407 -1.701 . . . . 82.93 106.407 160.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 17.7 pt -137.15 98.0 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 121.572 0.701 . . . . 98.2 110.653 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' HE2' ' B' ' 56' ' ' TYR . . . -160.66 169.44 22.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.43 0.692 . . . . 99.99 110.742 175.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.18 -28.44 11.84 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.728 -0.215 . . . . 99.99 113.191 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.786 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.0 tt -67.81 154.38 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.07 0.948 . . . . 99.99 111.636 -175.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' E' ' 340' ' ' PHE . 10.7 tt0 -151.6 172.14 16.52 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.19 -171.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.421 ' H ' ' HG2' ' B' ' 90' ' ' GLU . . . 65.31 -135.23 36.55 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 123.644 0.64 . . . . 99.99 114.449 169.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 48.0 m -75.58 -42.57 51.71 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 123.789 0.836 . . . . 99.99 111.04 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -68.05 -18.94 64.83 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.178 -0.919 . . . . 99.99 112.185 -173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 23.3 ttt -55.52 -61.85 2.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.054 0.542 . . . . 99.99 111.141 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.413 ' HB2' HD21 ' B' ' 141' ' ' LEU . . . -65.19 -26.25 68.06 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.477 0.711 . . . . 99.99 111.548 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 56.4 t-80 -73.6 -26.67 60.91 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.916 0.886 . . . . 99.99 111.57 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 53.0 t -84.91 -66.8 0.85 Allowed 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.164 0.507 . . . . 99.99 110.441 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.409 HD13 HD22 ' E' ' 14' ' ' LEU . 2.0 pp -79.28 -2.64 42.23 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.177 0.591 . . . . 71.23 112.195 -174.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' B' ' 133' ' ' PHE . . . -112.96 -4.82 24.08 Favored Glycine 0 C--N 1.355 1.607 0 C-N-CA 123.244 0.449 . . . . 59.87 113.519 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' B' ' 134' ' ' ASP . . . -136.73 -55.49 0.73 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.502 1.151 . . . . 71.19 111.091 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.05 -52.55 48.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.862 0.865 . . . . 99.99 110.581 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 57.0 m -71.54 -50.01 10.9 Favored Pre-proline 0 CA--C 1.573 1.852 0 N-CA-C 113.188 0.81 . . . . 50.37 113.188 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 46.3 Cg_exo -61.04 -35.63 86.28 Favored 'Trans proline' 0 C--N 1.388 2.635 0 C-N-CA 122.096 1.864 . . . . 36.29 114.581 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -67.81 -23.55 65.2 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 113.289 0.848 . . . . 87.59 113.289 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 tt -91.61 -29.32 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 117.888 0.313 . . . . 37.19 110.968 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -85.06 -25.71 27.43 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.135 0.574 . . . . 13.07 112.337 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -57.66 -51.97 77.78 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 118.088 -0.958 . . . . 99.99 112.761 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.13 -29.05 73.34 Favored 'Trans proline' 0 C--N 1.389 2.689 0 C-N-CA 121.948 1.766 . . . . 10.37 113.314 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -76.05 -47.85 23.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.666 0.786 . . . . 12.29 112.28 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.62 -48.17 82.96 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.914 -0.402 . . . . 8.75 109.914 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -52.87 -54.72 30.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.077 1.351 . . . . 59.14 111.434 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.52 -37.05 85.64 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 123.588 0.555 . . . . 51.9 110.469 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.6 t -65.8 -39.32 90.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.556 0.535 . . . . 13.3 110.049 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.468 ' O ' HG23 ' B' ' 118' ' ' VAL . 62.2 mt -62.36 -54.61 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 109.037 -0.727 . . . . 9.86 109.037 173.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 31.5 m -57.95 -28.29 64.18 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.277 1.031 . . . . 13.13 111.149 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.9 t -75.06 -43.07 55.41 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 123.207 0.603 . . . . 8.02 110.623 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.4 mmt -67.47 -35.91 80.12 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 110.0 -0.37 . . . . 26.78 110.0 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 91.8 t -63.08 -46.89 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.107 0.963 . . . . 13.3 110.232 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 88.1 p -75.73 -22.17 56.82 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.626 -0.716 . . . . 29.79 111.824 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -78.56 -35.84 45.42 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.161 0.584 . . . . 11.55 109.589 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.19 -5.9 63.55 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.652 0.595 . . . . 16.97 112.57 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.4 p 57.47 56.02 5.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.391 1.876 . . . . 23.15 111.001 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -107.64 169.01 7.14 Favored Pre-proline 0 CA--C 1.557 1.247 0 CA-C-N 113.531 -1.668 . . . . 23.84 110.605 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.0 140.31 49.73 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.894 2.396 . . . . 29.89 112.532 169.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.12 119.44 7.84 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.77 1.228 . . . . 99.99 110.497 -175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.488 HD11 HG21 ' B' ' 40' ' ' VAL . 21.7 tp -130.6 108.74 10.14 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.412 0.685 . . . . 72.13 109.183 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.99 133.42 41.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.784 0.833 . . . . 73.04 110.881 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.646 ' HA ' HG23 ' E' ' 6' ' ' ILE . 65.6 mt -88.09 151.68 22.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.61 0.764 . . . . 90.81 112.573 -172.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.75 145.48 44.3 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.363 1.065 . . . . 43.15 111.669 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.59 104.9 1.19 Allowed 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.956 2.437 . . . . 61.27 112.03 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.95 155.07 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.151 0.58 . . . . 99.57 110.486 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -99.24 98.96 9.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.91 0.884 . . . . 99.99 110.743 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' B' ' 99' ' ' GLY . 6.2 m-85 -73.12 -29.45 62.91 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.706 0.802 . . . . 99.99 111.093 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' B' ' 100' ' ' ALA . 11.0 t70 -43.88 -65.97 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.824 1.649 . . . . 99.99 113.048 -169.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' B' ' 138' ' ' MET . . . -71.8 -31.85 67.0 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.543 -0.753 . . . . 99.99 111.669 -171.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.462 HD12 HD13 ' E' ' 10' ' ' LEU . 94.7 mt -57.44 -50.53 72.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.766 0.826 . . . . 99.99 111.48 -174.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' E' ' 11' ' ' LEU . 14.4 m-85 -80.91 -28.88 35.69 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.946 0.499 . . . . 99.99 111.944 175.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 142' ' ' GLN . 1.4 tmt? -59.95 -33.58 72.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.249 0.62 . . . . 99.99 110.321 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.0 -38.2 66.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.738 0.815 . . . . 99.99 110.423 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.28 -27.5 67.99 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.565 0.746 . . . . 99.99 112.738 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 95' ' ' ALA . 3.9 pp -97.84 4.63 49.67 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.962 0.505 . . . . 99.99 112.065 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' B' ' 138' ' ' MET . 89.0 mm-40 -86.83 110.3 19.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -155.27 85.75 1.08 Allowed 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 170.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 62.31 17.2 9.15 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 124.9 1.28 . . . . 99.99 112.253 168.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.59 -5.52 53.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.213 1.005 . . . . 99.99 112.43 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.44 -34.75 85.63 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.498 0.499 . . . . 99.99 113.147 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.03 87.93 2.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.045 0.938 . . . . 99.99 109.315 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.71 67.86 2.93 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 115.45 -0.795 . . . . 99.99 111.884 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 17.4 p -84.12 -25.08 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.286 0.634 . . . . 99.99 110.545 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.667 ' HG2' ' HB3' ' E' ' 411' ' ' ALA . 8.6 tp10 65.39 -75.84 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.606 1.562 . . . . 99.99 111.497 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 60.29 77.79 0.31 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.154 1.382 . . . . 99.99 112.344 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -107.16 -61.31 1.57 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.469 -0.787 . . . . 99.99 109.646 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . 0.433 ' HG3' ' H ' ' B' ' 154' ' ' ASP . 11.0 pt20 -162.8 -64.23 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.85 0.46 . . . . 99.99 110.689 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' B' ' 153' ' ' GLN . 20.4 t70 -178.73 -55.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 -172.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-N 114.029 -1.441 . . . . 99.99 107.415 174.167 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 119.57 -0.253 . . . . 99.99 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m 62.05 91.25 0.07 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.799 1.24 . . . . 99.99 112.133 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.42 -48.84 68.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.85 -0.796 . . . . 99.99 108.85 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 66.59 -72.68 0.08 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.421 1.488 . . . . 99.99 110.423 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -136.97 -73.73 0.43 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 44.45 75.99 0.09 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.562 1.545 . . . . 99.99 112.436 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 29.7 p -81.1 64.16 5.74 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 121.936 0.874 . . . . 99.99 109.839 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -85.09 85.32 7.49 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 114.594 -1.184 . . . . 99.99 108.941 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.78 ' SD ' ' HA3' ' C' ' 148' ' ' GLY . 4.0 mpp? 60.79 112.96 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.277 1.431 . . . . 99.99 111.291 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 87.5 m -85.92 122.54 30.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.862 0.865 . . . . 99.99 109.969 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' C' ' 97' ' ' CYS . 37.5 m-85 -124.55 118.56 26.84 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.053 0.541 . . . . 99.99 110.122 172.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 1.8 tm0? -161.24 136.07 7.38 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.774 -1.195 . . . . 99.99 107.774 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.66 119.82 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.426 -0.953 . . . . 56.3 108.426 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 19.9 mm-40 -74.28 -52.54 12.01 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.235 0.614 . . . . 93.16 109.8 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' ND2' ' A' ' 127' ' ' ASN . 16.0 ptp180 178.58 162.89 0.72 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.445 1.098 . . . . 99.99 110.556 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -121.54 150.43 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.888 1.275 . . . . 11.74 107.948 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.454 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.3 p90 -172.95 163.35 4.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.643 0.735 . . . . 19.28 111.638 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.581 HG21 ' SG ' ' C' ' 113' ' ' CYS . 67.8 p -84.46 116.75 23.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.872 -1.058 . . . . 6.91 108.302 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' C' ' 59' ' ' VAL . 9.1 mtmt -77.43 -49.77 14.12 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.299 -1.0 . . . . 21.95 108.299 172.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 15.9 m-20 -133.05 140.53 47.76 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 114.445 -1.252 . . . . 50.62 109.157 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.8 mt -138.08 146.18 27.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 106.696 -1.594 . . . . 5.12 106.696 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -157.59 151.0 23.68 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.531 0.681 . . . . 9.28 110.228 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -144.99 141.42 28.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.374 -1.713 . . . . 8.82 106.374 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.668 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.5 mt-10 -137.23 138.98 40.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.496 -1.298 . . . . 30.58 107.496 174.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -155.59 83.16 3.66 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.467 -0.938 . . . . 12.04 108.467 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.77 -47.53 6.86 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.593 2.195 . . . . 30.41 111.736 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 72' ' ' THR . 88.5 m-20 -96.72 35.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.058 0.943 . . . . 61.38 110.658 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.628 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -57.98 -46.05 99.73 Favored Pre-proline 0 CA--C 1.562 1.437 0 C-N-CA 124.098 0.959 . . . . 26.66 113.466 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' D' ' 83' ' ' ILE . 85.1 Cg_endo -79.98 -30.47 2.21 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 121.927 1.751 . . . . 35.22 112.988 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -66.98 -19.37 65.71 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.566 1.546 . . . . 48.75 111.981 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 8.2 p -53.52 -33.95 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.405 1.082 . . . . 55.24 113.699 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.443 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.7 m-85 -66.17 -28.57 68.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.685 0.624 . . . . 99.99 112.685 -171.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -111.61 24.08 13.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.619 0.768 . . . . 97.11 111.664 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -113.37 175.84 5.28 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.047 0.451 . . . . 88.6 109.965 173.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.0 123.59 25.44 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' C' ' 32' ' ' PHE . 67.6 m95 -80.43 73.45 7.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.57 0.748 . . . . 99.99 110.148 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.84 81.6 2.4 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.1 142.35 4.5 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 122.707 2.271 . . . . 68.93 111.871 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.33 95.03 8.07 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' C' ' 65' ' ' THR . 3.1 p -75.94 99.0 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-N 114.55 -1.205 . . . . 87.15 110.359 -175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 7.6 tmtm? -94.62 129.49 41.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.336 -1.302 . . . . 99.99 109.023 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.77 149.93 25.21 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.33 0.652 . . . . 94.05 110.773 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 28.5 t70 -146.8 146.34 30.21 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.151 0.98 . . . . 99.99 108.791 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.519 HD21 HD12 ' C' ' 60' ' ' LEU . 5.2 tt -136.01 123.68 22.37 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.412 -1.329 . . . . 71.87 107.412 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 3.1 t70 -112.09 149.81 31.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.011 0.925 . . . . 92.17 108.742 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -126.88 138.22 53.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.512 0.725 . . . . 62.96 110.183 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.27 151.49 33.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.937 0.895 . . . . 35.73 109.617 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.511 ' HB2' HD21 ' E' ' 278' ' ' LEU . 36.2 p -159.88 142.13 13.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.1 0.56 . . . . 56.22 110.618 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -162.7 133.71 4.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.806 0.843 . . . . 43.42 109.71 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' E' ' 275' ' ' LYS . 42.2 tt0 -75.1 141.69 43.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.785 -0.45 . . . . 99.99 109.785 173.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' C' ' 57' ' ' GLU . 26.1 mt -107.95 -46.18 3.82 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.777 1.231 . . . . 61.44 110.798 -173.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.47 -177.38 5.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.791 -1.095 . . . . 94.06 110.319 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.98 107.27 0.97 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.28 0.987 . . . . 99.99 110.325 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 72.27 8.13 5.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.894 1.677 . . . . 99.99 112.002 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.88 117.61 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 123.781 0.832 . . . . 81.86 109.141 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.55 ' HD2' HD22 ' E' ' 278' ' ' LEU . 4.1 m-85 -118.76 155.72 30.63 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 124.225 1.01 . . . . 99.99 108.692 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.665 ' HB2' HD11 ' C' ' 51' ' ' LEU . 33.9 tt0 -114.46 136.82 52.59 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.049 0.94 . . . . 35.21 110.053 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' C' ' 102' ' ' CYS . 21.2 t -124.39 122.34 63.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 107.962 -1.125 . . . . 29.6 107.962 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.426 HG21 ' HE2' ' C' ' 19' ' ' LYS . 84.9 t -117.86 130.86 72.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 123.647 0.779 . . . . 20.9 109.664 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.62 HD23 HD12 ' C' ' 106' ' ' LEU . 3.4 mm? -123.5 108.23 12.43 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.655 1.182 . . . . 69.19 107.985 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.0 ttm180 -80.89 135.24 35.88 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.818 -0.808 . . . . 99.99 108.818 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 t -118.06 131.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.389 -1.337 . . . . 14.53 107.389 170.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 21.1 m -132.27 119.13 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 20.42 108.89 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.407 HG23 HD13 ' C' ' 114' ' ' ILE . 24.8 t -112.81 134.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.016 -1.105 . . . . 17.7 108.016 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 9.2 m -121.24 151.69 39.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.662 -1.236 . . . . 29.53 107.662 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.18 103.48 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.342 -1.355 . . . . 32.22 107.342 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . 0.438 ' HB3' HG23 ' C' ' 72' ' ' THR . 48.1 p -149.01 130.84 15.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.515 0.326 . . . . 59.66 110.838 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.42 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.3 OUTLIER -100.64 60.9 0.99 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.827 0.851 . . . . 97.29 109.448 176.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.03 -116.89 5.6 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 110.684 -0.966 . . . . 76.35 110.684 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -87.24 -30.73 20.72 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.089 -1.078 . . . . 99.99 108.089 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.69 88.84 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.359 -1.291 . . . . 77.02 109.875 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . 0.438 HG23 ' HB3' ' C' ' 67' ' ' SER . 32.5 m -87.43 135.37 33.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.037 -0.529 . . . . 37.0 110.295 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.5 -61.13 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.772 0.829 . . . . 34.06 109.664 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -165.18 178.06 7.23 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.343 0.657 . . . . 39.96 112.066 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.2 tm? -148.6 148.96 30.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.414 1.886 . . . . 16.54 106.741 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.0 t -149.77 138.19 20.67 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.181 -1.044 . . . . 10.97 108.181 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -148.14 126.01 11.95 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.919 0.488 . . . . 36.61 110.65 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' C' ' 113' ' ' CYS . 86.9 t -134.58 114.92 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.819 0.848 . . . . 9.25 109.35 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 39.9 mt-30 -88.93 93.03 9.46 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.825 -1.176 . . . . 25.23 107.825 171.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.472 HE22 HG22 ' C' ' 18' ' ' THR . 8.5 tp-100 -81.67 124.2 29.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.633 -1.167 . . . . 10.64 109.421 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.37 146.45 18.17 Favored Glycine 0 C--N 1.336 0.581 0 O-C-N 123.401 0.438 . . . . 10.6 112.132 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -140.94 129.18 3.99 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 110.636 -0.986 . . . . 19.17 110.636 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.539 HD12 HD11 ' C' ' 51' ' ' LEU . 17.1 mm -102.07 123.52 55.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.569 ' HE1' ' HG ' ' C' ' 102' ' ' CYS . 47.9 m-85 -131.1 119.96 22.7 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.325 -0.991 . . . . 49.62 108.325 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.3 m -70.95 99.52 1.8 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.346 -0.612 . . . . 92.15 109.346 172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' C' ' 10' ' ' THR . 36.3 pt -132.76 141.57 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.453 1.101 . . . . 99.99 109.765 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . 179.5 -173.4 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.088 0.955 . . . . 99.99 111.059 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.98 -5.6 32.3 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 111.787 -0.525 . . . . 99.99 111.787 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 37.0 mm 65.18 79.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.454 1.502 . . . . 99.99 107.561 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' C' ' 94' ' ' MET . 13.6 mt-10 -94.17 -25.71 16.99 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.525 -1.671 . . . . 99.99 109.982 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 -111.75 4.2 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-N 115.774 -0.648 . . . . 99.99 113.542 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 74.6 p -71.05 -22.26 62.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.329 0.652 . . . . 99.99 111.575 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -71.99 -47.78 49.59 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.455 0.702 . . . . 99.99 109.561 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.567 ' HB3' ' HB2' ' C' ' 90' ' ' GLU . 18.6 ptm -69.09 -24.9 64.2 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.226 0.21 . . . . 99.99 111.091 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.02 68.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.321 0.648 . . . . 99.99 111.346 175.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.39 -56.93 6.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.535 -0.543 . . . . 99.99 109.535 167.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 42.1 t -51.14 -51.61 51.93 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.573 0.953 . . . . 99.99 113.573 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' E' ' 280' ' ' LEU . 1.9 pp -93.01 -27.32 17.08 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.901 0.48 . . . . 99.99 112.132 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . 0.427 ' N ' HD12 ' C' ' 98' ' ' LEU . . . -103.59 4.39 46.96 Favored Glycine 0 N--CA 1.477 1.398 0 N-CA-C 113.97 0.348 . . . . 68.51 113.97 -172.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -150.06 -61.96 0.21 Allowed 'General case' 0 C--O 1.246 0.893 0 C-N-CA 122.809 0.444 . . . . 56.52 111.463 -173.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.484 ' O ' HG12 ' C' ' 105' ' ' ILE . 43.6 m-85 -58.45 -60.35 3.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.537 0.735 . . . . 99.99 111.21 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.569 ' HG ' ' HE1' ' C' ' 84' ' ' PHE . 24.7 t -59.11 -45.0 99.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.674 0.99 . . . . 56.59 113.674 -173.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -50.19 -35.51 43.2 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.115 1.877 . . . . 39.21 114.307 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.84 -31.34 45.65 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.67 0.788 . . . . 71.72 111.092 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 130' ' ' PRO . 40.7 mm -73.15 -36.7 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.019 0.527 . . . . 8.71 110.529 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.62 HD12 HD23 ' C' ' 60' ' ' LEU . 51.6 mt -87.57 -19.9 27.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.045 0.938 . . . . 37.06 111.142 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -51.2 -53.88 44.11 Favored Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 124.611 1.164 . . . . 16.74 113.253 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . 0.453 ' HB3' ' CD2' ' A' ' 109' ' ' TYR . 38.5 Cg_endo -65.68 -36.13 34.13 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 121.825 1.683 . . . . 9.85 113.247 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -67.9 -41.31 82.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.475 0.71 . . . . 5.88 111.507 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.97 95.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.573 . . . . 7.64 109.837 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.906 HH12 ' HB ' ' A' ' 16' ' ' ILE . 17.8 ttp180 -68.65 -37.58 79.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.935 -1.03 . . . . 20.64 111.145 -173.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.06 -42.63 84.42 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.816 0.698 . . . . 38.86 109.408 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.581 ' SG ' HG21 ' C' ' 18' ' ' THR . 2.1 m -57.03 -41.39 78.53 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.167 0.917 . . . . 13.9 112.31 174.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.548 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 90.7 mt -69.65 -45.8 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.104 0.562 . . . . 8.58 110.851 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 59.0 m -67.13 -27.54 67.4 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.052 0.941 . . . . 8.54 110.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -77.27 -45.7 25.49 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 123.751 0.821 . . . . 6.56 109.439 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.452 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -65.11 -35.64 81.77 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.316 1.046 . . . . 5.22 112.324 -174.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.06 -38.67 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.824 -0.436 . . . . 28.53 109.824 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -72.82 -23.11 60.73 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.68 0.792 . . . . 17.6 110.94 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -78.47 -36.06 45.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.321 1.048 . . . . 7.72 109.542 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.47 0.69 68.59 Favored Glycine 0 C--N 1.355 1.597 0 O-C-N 123.816 0.697 . . . . 10.8 112.406 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p 58.27 56.25 4.59 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.423 1.889 . . . . 15.17 110.524 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.503 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 38.8 m-85 -123.77 155.07 67.16 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 113.377 -1.738 . . . . 24.81 110.028 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.567 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 57.1 Cg_exo -52.18 127.08 22.31 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.306 2.67 . . . . 29.42 111.648 173.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' B' ' 119' ' ' SER . 32.6 mt-30 -61.02 145.94 48.9 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.445 -0.798 . . . . 72.03 112.517 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.476 HD21 HG21 ' C' ' 40' ' ' VAL . 49.0 tp -137.12 116.47 12.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.27 -0.877 . . . . 59.85 109.123 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.54 130.05 49.27 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.785 -0.82 . . . . 41.85 108.785 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 30.5 tp -71.68 139.91 49.42 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.299 0.64 . . . . 38.57 110.916 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.406 ' H ' HD12 ' C' ' 128' ' ' LEU . . . -71.24 143.66 88.58 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.19 0.996 . . . . 24.62 110.544 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.575 ' HG3' HD12 ' A' ' 13' ' ' ILE . 80.2 Cg_endo -68.9 142.87 53.09 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 123.112 2.542 . . . . 24.48 112.309 -175.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.96 132.54 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 109.318 -0.623 . . . . 68.05 109.318 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -84.86 70.18 10.83 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.935 1.294 . . . . 99.99 110.802 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -61.78 -45.17 95.03 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.433 -0.803 . . . . 99.99 112.311 -174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.661 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 17.5 t70 -82.59 -32.71 28.31 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 118.815 -0.612 . . . . 99.99 111.819 -175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.17 -33.04 25.38 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.101 0.875 . . . . 99.99 111.838 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.18 -56.59 15.39 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.082 0.953 . . . . 99.99 110.843 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -68.27 -21.78 64.78 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.555 0.742 . . . . 99.99 111.339 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -77.75 -51.63 10.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.117 0.967 . . . . 99.99 110.0 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -65.99 -33.53 76.01 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.406 0.682 . . . . 99.99 110.873 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -70.59 -154.52 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.942 0.897 . . . . 99.99 110.286 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 52.1 tp -147.17 131.43 17.47 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 121.107 -0.996 . . . . 99.99 109.789 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.25 120.3 36.29 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -62.2 -42.36 99.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.99 0.916 . . . . 99.99 112.295 -168.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -101.62 11.22 39.29 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.939 0.896 . . . . 99.99 110.267 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 73.75 -62.07 0.48 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.706 1.602 . . . . 99.99 111.458 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -165.3 -60.26 0.02 OUTLIER Glycine 0 C--N 1.336 0.538 0 N-CA-C 110.059 -1.217 . . . . 99.99 110.059 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.39 104.19 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.252 1.421 . . . . 99.99 111.376 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . 0.78 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . -97.37 38.21 3.18 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-O 119.542 -0.588 . . . . 99.99 112.725 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 19.6 m 70.7 -72.28 0.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.697 1.599 . . . . 99.99 112.488 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.83 116.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.161 1.784 . . . . 99.99 109.2 -171.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.15 -46.23 75.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.019 1.328 . . . . 99.99 111.828 -173.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -87.54 -29.34 21.38 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.5 -0.773 . . . . 99.99 110.754 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.88 28.6 17.48 Favored 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 124.354 1.061 . . . . 99.99 109.476 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -150.77 -63.73 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.631 0.772 . . . . 99.99 109.654 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 179.145 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.005 -0.369 . . . . 99.99 110.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m 71.8 -67.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.192 1.397 . . . . 99.99 110.494 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -76.41 170.82 15.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.653 0.781 . . . . 99.99 108.922 166.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 66.82 22.19 10.3 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.131 0.972 . . . . 99.99 111.665 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -76.77 158.76 30.67 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.018 0.527 . . . . 99.99 110.502 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -117.96 179.87 3.96 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.567 0.747 . . . . 99.99 109.737 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 11.5 m -79.5 83.46 5.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.166 0.587 . . . . 99.99 110.365 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -170.76 139.12 1.47 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.914 1.286 . . . . 99.99 107.549 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 26.2 ttt -34.9 133.04 0.3 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.002 0.921 . . . . 99.99 112.977 171.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -118.94 138.97 52.42 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' D' ' 86' ' ' ILE . 76.4 t80 -143.79 130.31 20.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.821 -1.178 . . . . 76.43 107.821 -174.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -141.62 117.4 10.42 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.495 HD13 HG21 ' D' ' 105' ' ' ILE . 63.6 mt -75.79 113.12 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.062 -1.088 . . . . 41.34 108.062 170.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -88.3 -41.93 12.57 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.302 0.641 . . . . 79.46 110.689 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -158.11 131.75 7.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.67 -171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.532 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -121.32 128.25 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.024 -1.102 . . . . 53.22 108.024 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.33 161.79 10.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.501 0.667 . . . . 19.87 111.174 -168.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -94.31 116.75 29.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.409 -0.96 . . . . 8.43 108.409 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.628 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 40.2 mtpt -82.62 -30.17 29.61 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.597 -0.52 . . . . 36.9 109.597 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 9.7 t70 -150.37 146.28 26.62 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.048 -0.723 . . . . 36.68 109.048 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.452 HD12 ' HG3' ' C' ' 117' ' ' MET . 79.6 mt -141.16 155.12 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.657 1.183 . . . . 4.02 108.305 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.9 t -154.13 145.6 23.12 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.476 1.11 . . . . 7.64 109.801 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.3 t80 -153.05 116.08 4.58 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 105.517 -2.031 . . . . 5.08 105.517 169.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.89 110.92 11.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.368 0.667 . . . . 28.73 110.071 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.75 86.99 9.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.7 0.8 . . . . 7.19 108.994 -178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.32 -40.41 4.47 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.856 2.371 . . . . 13.41 112.723 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -96.44 20.57 10.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.152 0.981 . . . . 11.97 110.315 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.36 -63.77 1.02 Allowed Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 114.551 1.315 . . . . 12.01 114.551 -167.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.507 ' HB2' HD13 ' C' ' 51' ' ' LEU . 48.8 Cg_endo -77.26 -16.22 15.61 Favored 'Trans proline' 0 C--N 1.378 2.111 0 CA-C-N 121.326 1.509 . . . . 20.55 112.877 -172.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -75.79 -43.51 45.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.099 1.36 . . . . 22.26 109.744 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.02 -6.75 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 CA-C-N 115.358 -0.837 . . . . 34.6 112.265 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 20.6 m-30 -72.35 -9.89 59.08 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.622 0.601 . . . . 32.96 112.622 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.07 -16.49 64.04 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.581 0.752 . . . . 99.99 110.307 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' D' ' 71' ' ' GLU . 98.0 mttt -103.09 110.53 22.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.287 1.435 . . . . 31.63 110.444 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -111.33 82.88 1.68 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.047 0.939 . . . . 99.99 109.394 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . 0.454 ' HB3' HD21 ' E' ' 155' ' ' LEU . 44.2 p90 -161.41 171.69 17.79 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.545 0.738 . . . . 49.29 109.465 168.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.42 116.67 24.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 123.616 0.572 . . . . 99.99 110.39 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.78 137.19 80.32 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.768 2.312 . . . . 31.29 112.095 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.69 111.35 5.41 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.977 -0.749 . . . . 99.99 108.977 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 64' ' ' VAL . 72.4 t -108.13 131.73 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.296 0.638 . . . . 52.79 110.45 -169.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -93.5 128.95 39.84 Favored 'General case' 0 C--O 1.249 1.035 0 N-CA-C 105.947 -1.871 . . . . 99.99 105.947 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.47 113.92 26.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.28 -1.748 . . . . 74.77 106.28 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 8.5 t70 -129.42 121.14 26.74 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.667 -1.235 . . . . 99.99 107.667 -166.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' D' ' 133' ' ' PHE . 4.9 mp -127.51 133.52 49.83 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.827 0.346 . . . . 66.01 110.496 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.688 ' HA ' ' HB3' ' E' ' 111' ' ' LEU . 29.3 t70 -136.83 162.52 32.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.999 1.32 . . . . 79.72 108.001 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -130.71 172.49 11.91 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.642 -0.662 . . . . 77.52 111.08 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.93 150.5 3.15 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.039 1.336 . . . . 38.8 107.879 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 63.2 p -170.76 172.37 5.74 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.448 0.536 . . . . 48.36 112.448 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 75.5 p -163.68 157.05 18.79 Favored 'General case' 0 C--O 1.246 0.907 0 C-N-CA 124.629 1.171 . . . . 52.73 108.622 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -87.16 120.69 28.7 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.595 -0.891 . . . . 99.71 108.595 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.85 28.06 2.66 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.778 1.231 . . . . 82.32 108.288 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -162.7 148.19 12.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.478 -1.237 . . . . 96.95 109.553 -167.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -93.05 118.22 30.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.408 0.683 . . . . 99.99 109.792 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 65.77 11.73 7.8 Favored 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.556 1.142 . . . . 99.99 111.892 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.569 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 69.5 t -137.26 143.89 33.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 106.07 -1.826 . . . . 82.8 106.07 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.691 ' HB2' HD22 ' E' ' 100' ' ' LEU . 47.4 t80 -141.53 139.41 33.22 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.36 127.21 41.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 55.89 109.35 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.25 133.78 66.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 108.4 -0.963 . . . . 44.56 108.4 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.66 121.35 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.852 0.861 . . . . 19.48 109.24 -175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' D' ' 103' ' ' PRO . 44.0 tp -97.7 116.62 30.27 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.238 0.615 . . . . 52.2 109.615 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' D' ' 79' ' ' GLN . 74.2 mtt180 -86.92 96.52 10.28 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -91.06 115.64 30.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 108.6 -0.889 . . . . 9.25 108.6 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 6.2 m -124.98 132.92 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.9 0.857 . . . . 10.79 109.464 -167.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.507 HG13 HG13 ' D' ' 40' ' ' VAL . 39.9 t -124.75 106.22 16.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 126.268 1.827 . . . . 9.72 107.952 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.727 ' HB ' ' HG2' ' E' ' 257' ' ' GLN . 1.4 p -105.72 95.46 5.82 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.354 -0.98 . . . . 19.36 108.354 176.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.18 143.62 33.11 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.192 -1.367 . . . . 11.33 110.82 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.545 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 66.8 m -141.07 137.84 33.16 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.676 0.79 . . . . 29.87 111.089 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -112.71 113.0 24.91 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.904 1.281 . . . . 24.97 107.89 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.08 -134.05 26.92 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 123.381 0.425 . . . . 27.84 113.342 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 31.23 1.77 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.55 0.74 . . . . 76.3 111.757 -177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' D' ' 34' ' ' LYS . 11.1 pt-20 -154.82 157.37 37.81 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 122.905 0.482 . . . . 81.89 109.969 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.3 m -72.07 133.4 45.23 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.753 -0.658 . . . . 11.35 110.945 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.545 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.47 -62.73 1.56 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.241 1.016 . . . . 10.67 108.686 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -160.72 162.35 32.49 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 114.697 -1.138 . . . . 7.73 110.957 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.49 HD21 HE22 ' E' ' 257' ' ' GLN . 61.7 mt -126.84 106.32 9.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.965 1.306 . . . . 11.05 107.52 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' D' ' 114' ' ' ILE . 48.8 t -116.82 143.77 45.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.84 -0.8 . . . . 12.97 108.84 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -157.08 138.34 13.73 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.06 -0.718 . . . . 47.96 109.06 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -133.04 118.18 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 108.491 -0.929 . . . . 5.05 108.491 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.807 ' HG2' ' HG2' ' D' ' 61' ' ' ARG . 39.3 mt-30 -87.16 84.09 7.32 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 108.362 -0.977 . . . . 21.68 108.362 168.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.58 103.77 9.72 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 114.363 -1.29 . . . . 8.01 107.692 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.44 160.11 21.93 Favored Glycine 0 C--N 1.336 0.558 0 CA-C-N 115.976 -0.556 . . . . 11.29 111.752 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.66 140.74 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.725 -0.55 . . . . 22.6 111.725 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' C' ' 29' ' ' PRO . 62.0 mt -94.46 105.92 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 107.807 -1.183 . . . . 43.57 107.807 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -116.34 123.63 48.11 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.111 0.564 . . . . 45.01 110.618 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 42.3 m -83.56 130.07 34.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.334 1.054 . . . . 77.58 110.021 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.625 HG13 HD11 ' E' ' 97' ' ' ILE . 39.0 pt -141.94 143.26 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.408 0.549 . . . . 88.57 109.647 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -165.4 159.0 16.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.74 0.816 . . . . 99.99 109.79 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.06 17.24 67.69 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.504 0.503 . . . . 99.99 113.77 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.46 144.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.507 1.123 . . . . 99.99 108.746 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -136.74 166.88 22.54 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.538 0.735 . . . . 99.99 111.431 -173.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.45 -142.68 25.12 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.066 0.841 . . . . 99.99 114.004 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -82.79 -35.61 26.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 99.99 110.079 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.658 ' HB3' ' HG2' ' E' ' 79' ' ' GLU . 46.6 mt-30 -63.09 -28.24 69.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.492 1.117 . . . . 99.99 111.304 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 16.8 ttt -47.39 -63.16 1.12 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.707 1.603 . . . . 99.99 112.604 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -87.78 -12.29 45.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.343 0.657 . . . . 88.9 112.096 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -74.58 -15.79 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.419 0.554 . . . . 99.99 111.383 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' D' ' 86' ' ' ILE . 31.9 p -60.95 -42.24 97.86 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.149 -0.315 . . . . 95.17 110.149 172.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.622 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.7 pp -85.56 -19.41 31.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.028 0.531 . . . . 99.99 110.724 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.12 14.5 60.53 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 120.171 -0.238 . . . . 66.02 113.577 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.25 -68.13 0.09 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.115 0.458 . . . . 54.11 110.928 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -65.15 -46.48 80.71 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.378 0.51 . . . . 40.76 112.378 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.622 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.7 m -64.51 -45.08 76.78 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 113.778 1.029 . . . . 34.31 113.778 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' D' ' 60' ' ' LEU . 2.8 Cg_exo -75.4 -17.64 18.52 Favored 'Trans proline' 0 C--N 1.379 2.133 0 CA-C-N 121.346 1.517 . . . . 28.69 112.452 173.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.448 HD21 ' ND2' ' D' ' 132' ' ' ASN . 34.7 t-20 -68.7 -32.42 72.21 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.281 -0.637 . . . . 61.29 109.281 173.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.495 HG21 HD13 ' D' ' 13' ' ' ILE . 25.8 mm -59.95 -43.07 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 123.895 0.878 . . . . 19.65 110.344 167.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.14 -24.67 61.49 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.016 -0.993 . . . . 13.09 111.963 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.61 -46.91 93.83 Favored Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 114.262 1.208 . . . . 10.47 114.262 -170.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.06 -31.81 66.2 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.221 1.948 . . . . 6.22 114.294 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -88.12 -24.96 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.705 0.802 . . . . 10.48 111.345 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.55 86.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.017 0.527 . . . . 4.16 109.91 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 20.5 ttp180 -55.91 -51.44 67.6 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.429 -1.26 . . . . 10.22 110.343 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.13 -45.37 83.54 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.214 . . . . 32.24 111.013 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.36 -45.57 93.82 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.758 0.661 . . . . 3.39 111.306 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.484 HG12 ' SG ' ' D' ' 76' ' ' CYS . 76.5 mt -63.34 -49.89 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 115.011 -0.995 . . . . 5.37 110.883 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -53.58 -44.66 69.52 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 124.273 0.983 . . . . 7.06 110.964 -174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -64.67 -39.97 94.6 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.599 -1.182 . . . . 6.71 110.691 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.419 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.6 mtm -72.84 -32.4 65.44 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.836 0.454 . . . . 5.08 111.671 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 114' ' ' ILE . 70.2 t -60.95 -46.34 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.425 0.69 . . . . 5.65 109.596 173.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -73.05 -28.06 62.1 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.788 -0.642 . . . . 10.21 111.21 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' D' ' 116' ' ' SER . 65.8 mtt-85 -68.84 -28.94 67.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.514 0.726 . . . . 6.99 110.406 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.77 6.25 83.21 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.758 0.661 . . . . 7.43 112.56 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 5.1 m 65.2 18.38 11.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.172 1.389 . . . . 18.26 111.692 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -82.22 153.71 69.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 123.208 0.603 . . . . 10.7 109.549 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' D' ' 36' ' ' TRP . 71.5 Cg_exo -53.76 135.34 62.24 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.764 2.309 . . . . 20.06 112.629 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -49.28 120.34 3.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.203 . . . . 16.85 112.584 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 33.6 tp -108.14 109.97 21.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.017 0.527 . . . . 14.84 110.172 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -100.45 111.41 23.67 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 107.807 -1.182 . . . . 76.73 107.807 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 7.1 mp -66.46 131.01 45.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.012 0.525 . . . . 20.32 110.63 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 133.98 72.23 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 109.835 -0.432 . . . . 28.37 109.835 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.57 137.15 45.29 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 122.764 2.31 . . . . 32.68 112.253 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.655 HG21 HG11 ' E' ' 121' ' ' VAL . 7.3 p -143.43 142.91 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.789 0.836 . . . . 69.78 109.304 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.48 ' HB2' ' HA2' ' E' ' 74' ' ' GLY . 16.6 m120 -93.33 99.99 12.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.411 0.684 . . . . 99.99 110.419 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.571 ' HA ' HD13 ' D' ' 136' ' ' LEU . 40.2 p90 -70.89 -17.2 62.71 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.0 0.92 . . . . 99.99 109.974 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' D' ' 138' ' ' MET . 1.5 m-20 -34.98 -52.59 0.55 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.851 2.061 . . . . 99.99 111.866 171.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.69 91.1 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.69 1.196 . . . . 99.99 112.403 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' D' ' 133' ' ' PHE . 5.9 mp -72.74 -52.44 15.1 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.662 -0.699 . . . . 99.99 110.13 -173.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' E' ' 111' ' ' LEU . 6.8 t80 -69.79 -29.87 67.29 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.981 0.512 . . . . 99.99 110.807 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.512 ' HB2' ' HE3' ' D' ' 138' ' ' MET . 36.7 ttm -53.74 -43.55 69.21 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.679 1.192 . . . . 99.99 110.819 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.15 -42.51 80.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.605 -1.179 . . . . 99.99 109.687 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' E' ' 109' ' ' TYR . 55.3 m-85 -64.93 -27.69 69.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.663 0.616 . . . . 99.99 112.663 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.28 -49.25 67.74 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.007 0.523 . . . . 99.99 110.798 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -78.72 2.86 18.23 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.367 0.667 . . . . 99.99 111.407 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -118.46 49.78 1.25 Allowed 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . 0.468 HE21 ' HD1' ' E' ' 109' ' ' TYR . 8.7 tp-100 -156.21 128.25 7.46 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.048 -1.433 . . . . 99.99 109.04 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -135.53 29.03 3.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 99.99 109.928 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.87 -64.71 3.72 Favored Glycine 0 C--N 1.359 1.807 0 O-C-N 123.512 0.507 . . . . 99.99 111.852 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 54.65 94.11 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.437 . . . . 99.99 112.579 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.26 -0.33 86.88 Favored Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.51 -0.605 . . . . 99.99 113.326 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 24.2 m 69.34 -66.37 0.26 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.615 1.566 . . . . 99.99 110.295 -173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -118.62 -80.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.971 0.908 . . . . 99.99 109.109 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 44.26 -131.32 0.82 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.097 1.359 . . . . 99.99 110.682 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 62.2 t60 70.14 4.79 5.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.062 0.945 . . . . 99.99 112.506 164.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.76 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.821 0.848 . . . . 99.99 110.469 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.31 -62.83 1.48 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.793 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 C-N-CA 123.622 0.769 . . . . 99.99 110.232 -173.199 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.543 ' SD ' ' HE3' ' B' ' 41' ' ' LYS . 1.5 pmm? . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 70.84 108.24 0.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.662 1.185 . . . . 99.99 108.348 -164.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -55.75 136.34 51.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.861 0.865 . . . . 99.99 110.818 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . 0.633 ' H ' ' HB3' ' E' ' 218' ' ' LEU . 41.0 m 66.71 108.86 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.265 1.426 . . . . 99.99 110.968 -169.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.474 HG22 ' H ' ' B' ' 40' ' ' VAL . 10.2 p -55.26 -43.57 74.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.17 0.988 . . . . 99.99 111.094 175.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' B' ' 128' ' ' LEU . 50.5 mm -84.35 89.32 2.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-O 121.91 0.862 . . . . 99.99 108.846 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.64 -169.21 2.65 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 113.517 -1.674 . . . . 99.99 108.886 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.434 ' H ' ' H ' ' E' ' 9' ' ' ALA . 2.1 tm? -165.82 -23.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.452 -0.944 . . . . 99.99 108.452 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' E' ' 8' ' ' LEU . . . 70.65 -86.7 0.03 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.636 1.174 . . . . 99.99 110.834 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.462 HD13 HD12 ' B' ' 136' ' ' LEU . 43.9 tp -171.42 -94.61 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.052 0.541 . . . . 99.99 110.157 -174.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HE1' ' B' ' 137' ' ' PHE . 20.0 tp 166.6 139.29 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 N-CA-C 106.309 -1.737 . . . . 99.99 106.309 -166.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . 0.442 ' HG2' ' HA ' ' B' ' 45' ' ' ASP . 42.1 Cg_exo -59.56 -43.33 40.15 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.834 2.356 . . . . 99.99 113.414 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 44.5 tp -156.69 155.12 31.16 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.749 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 98' ' ' LEU . 52.9 mt -72.53 173.51 8.79 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 121.27 0.557 . . . . 99.99 111.656 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.83 112.46 7.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.07 -0.968 . . . . 99.99 110.089 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -65.57 -40.44 41.33 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 114.706 1.373 . . . . 99.99 114.706 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.52 -17.89 53.73 Favored 'Trans proline' 0 C--N 1.402 3.345 0 CA-C-N 122.013 1.755 . . . . 99.99 113.597 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.6 -62.94 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 N-CA-C 108.968 -0.753 . . . . 99.99 108.968 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 14.8 t 179.69 177.34 0.61 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.233 1.413 . . . . 99.99 109.162 172.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 116.17 13.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.308 0.643 . . . . 99.99 109.742 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.34 54.68 2.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.956 0.903 . . . . 99.99 111.579 -169.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.34 134.07 3.3 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.631 -0.507 . . . . 99.99 109.631 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.8 p -74.02 145.84 84.14 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.862 0.865 . . . . 99.99 110.45 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' E' ' 323' ' ' GLN . 74.0 Cg_endo -74.59 160.28 41.53 Favored 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.391 2.061 . . . . 99.99 110.775 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.76 176.56 7.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.41 1.084 . . . . 99.99 109.012 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . 0.562 ' HB2' ' HD3' ' E' ' 27' ' ' PRO . 58.5 mtm -136.08 -55.83 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 107.97 -1.122 . . . . 99.99 107.97 169.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' E' ' 26' ' ' MET . 89.0 Cg_endo -92.42 96.9 0.18 Allowed 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 121.765 1.644 . . . . 99.99 110.743 172.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' E' ' 50' ' ' ASP . 57.6 t -63.31 115.47 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 115.093 -0.958 . . . . 99.99 110.475 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' E' ' 53' ' ' ALA . 57.4 tp 76.29 -58.8 0.52 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.716 1.606 . . . . 99.99 111.675 175.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' E' ' 27' ' ' PRO . 36.0 mt-10 -92.62 117.77 30.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.776 0.83 . . . . 99.99 110.65 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -70.01 -29.15 66.15 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 99.99 110.575 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -74.65 -32.29 62.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.498 -0.774 . . . . 99.99 109.739 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.88 80.16 0.22 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.018 1.327 . . . . 99.99 110.831 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.16 37.09 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 108.482 -0.933 . . . . 99.99 108.482 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 56.16 99.99 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.587 1.555 . . . . 99.99 112.866 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.94 84.58 0.11 Allowed Glycine 0 C--N 1.341 0.841 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 78.83 6.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 mt 28.01 -93.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.676 0 C-N-CA 126.307 1.843 . . . . 99.99 112.233 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.33 -85.1 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.989 1.316 . . . . 99.99 108.59 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.34 -48.73 5.51 Favored Pre-proline 0 N--CA 1.48 1.043 0 CA-C-O 119.125 -0.464 . . . . 99.99 110.268 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.59 157.07 18.92 Favored 'Trans proline' 0 C--N 1.388 2.644 0 CA-C-N 120.193 1.105 . . . . 99.99 111.515 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.36 -10.43 38.85 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-N 116.129 -0.487 . . . . 99.99 112.887 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.67 -138.67 16.51 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.608 -0.597 . . . . 99.99 111.608 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.37 153.59 37.69 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.107 0.563 . . . . 99.99 109.848 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -60.77 -48.56 81.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.991 0.516 . . . . 99.99 111.023 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . 0.265 3.4 ppt_? 31.96 55.88 0.33 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.387 1.875 . . . . 99.99 113.776 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.35 -33.67 74.01 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.461 -1.7 . . . . 99.99 111.516 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -61.59 -50.82 71.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.567 0.747 . . . . 99.99 109.952 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.96 -84.24 0.01 OUTLIER Glycine 0 C--N 1.363 2.076 0 O-C-N 124.51 1.131 . . . . 99.99 115.103 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . 0.457 ' HB2' HG13 ' E' ' 28' ' ' VAL . 19.3 t70 -69.57 -17.69 63.57 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.901 1.281 . . . . 99.99 111.897 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.86 -34.43 75.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.559 1.144 . . . . 99.99 112.682 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -24.87 64.69 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.171 0.434 . . . . 99.99 112.171 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . 0.592 ' HB2' HD12 ' E' ' 29' ' ' LEU . . . -89.92 -14.12 34.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.573 0.749 . . . . 99.99 110.932 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.29 86.61 0.81 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.088 0.555 . . . . 99.99 110.918 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 71.87 -71.76 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.911 1.684 . . . . 99.99 110.543 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 79.48 126.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.616 1.567 . . . . 99.99 109.022 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 69.44 -161.74 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.675 1.19 . . . . 99.99 110.467 -170.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . 0.741 ' HA ' ' HB3' ' E' ' 61' ' ' ASP . 14.7 t 74.79 21.12 2.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.048 1.339 . . . . 99.99 111.208 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mp -64.07 -66.53 0.53 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.949 0.5 . . . . 99.99 110.205 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -83.0 -22.75 33.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.776 0.831 . . . . 99.99 110.82 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . 0.741 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 9.7 t70 -76.24 112.55 12.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.585 ' HZ3' ' HD2' ' E' ' 63' ' ' PRO . 0.0 OUTLIER -94.28 113.0 59.71 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.555 0.742 . . . . 99.99 110.695 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.585 ' HD2' ' HZ3' ' E' ' 62' ' ' LYS . 93.1 Cg_endo -84.12 -11.58 8.59 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.294 1.996 . . . . 99.99 112.548 168.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.2 155.92 5.59 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.798 0.686 . . . . 99.99 112.402 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' HZ3' ' E' ' 65' ' ' LYS . 0.0 OUTLIER -170.11 172.75 6.23 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.898 1.279 . . . . 99.99 109.637 162.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -166.09 157.82 13.89 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 tp -171.13 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.702 1.201 . . . . 99.99 108.96 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.513 HG22 ' H ' ' E' ' 69' ' ' LEU . 10.9 mt -130.09 -178.97 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.145 -1.057 . . . . 99.99 108.145 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' E' ' 70' ' ' LEU . 14.0 tp -139.0 -160.05 1.02 Allowed 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 107.991 -1.115 . . . . 99.99 107.991 168.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.555 ' H ' ' HG ' ' E' ' 69' ' ' LEU . 91.5 mt -62.64 -32.39 73.42 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.929 0.892 . . . . 99.99 112.179 -174.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 pp -120.34 153.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.359 -0.978 . . . . 99.99 108.359 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.77 80.01 0.05 OUTLIER Glycine 0 C--N 1.346 1.136 0 O-C-N 123.324 0.39 . . . . 99.99 112.209 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.4 131.98 41.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.618 -0.882 . . . . 99.99 108.618 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' D' ' 132' ' ' ASN . . . -167.44 159.86 33.31 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 120.906 -0.664 . . . . 99.99 113.982 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -154.11 118.27 4.79 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.234 -1.025 . . . . 99.99 108.234 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.42 131.24 44.36 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 124.052 0.845 . . . . 99.99 113.32 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.43 150.68 41.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.377 0.671 . . . . 99.99 111.594 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 29.2 t -75.67 -16.18 60.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.707 1.203 . . . . 99.99 112.643 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' D' ' 93' ' ' GLN . 0.3 OUTLIER -55.5 -52.33 64.03 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.884 0.874 . . . . 99.99 110.5 -176.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' E' ' 235' ' ' GLU . 53.5 mt 63.27 76.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.563 1.145 . . . . 99.99 108.74 -171.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -87.53 131.95 34.2 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.235 -0.893 . . . . 99.99 110.782 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 111.75 23.65 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.935 -1.876 . . . . 99.99 105.935 162.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' D' ' 11' ' ' PHE . . . -81.99 -89.29 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 118.882 -0.58 . . . . 99.99 112.522 -168.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.548 ' HD3' ' HG3' ' E' ' 193' ' ' PRO . 31.3 mtm180 77.08 178.15 0.16 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.486 1.514 . . . . 99.99 112.009 -171.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB ' ' D' ' 13' ' ' ILE . 25.6 t-20 -144.17 159.07 43.28 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.044 -0.98 . . . . 99.99 109.279 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -174.44 86.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.458 1.503 . . . . 99.99 107.104 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.43 167.17 21.2 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.374 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 69.08 -77.1 0.05 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.249 1.419 . . . . 99.99 111.229 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.98 -60.96 4.8 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.116 -0.394 . . . . 99.99 112.116 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.12 31.76 10.72 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.976 1.31 . . . . 99.99 112.2 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.4 0.44 Allowed Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.184 -0.766 . . . . 99.99 111.184 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.05 131.73 12.73 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 111.031 -0.827 . . . . 99.99 111.031 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -61.1 -69.18 0.25 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.03 0.932 . . . . 99.99 111.693 -172.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -165.28 172.83 11.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.969 0.508 . . . . 99.99 110.488 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -146.63 145.12 29.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.108 0.963 . . . . 99.99 110.045 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . 0.435 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . 140.76 -104.72 0.4 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.996 -0.442 . . . . 99.99 111.996 173.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.625 HD11 HG13 ' D' ' 86' ' ' ILE . 24.4 pt -90.12 98.64 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.271 0.628 . . . . 99.99 110.232 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.52 -46.35 90.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.671 0.788 . . . . 99.99 111.78 -174.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.63 127.67 40.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.475 0.71 . . . . 99.99 109.157 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' D' ' 56' ' ' TYR . 3.2 mp -124.53 83.07 58.33 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.883 -1.154 . . . . 99.99 107.883 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -98.72 116.98 0.11 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 122.585 2.19 . . . . 99.99 112.507 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -68.6 158.98 32.86 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 166.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 73.6 p -60.4 -43.45 96.64 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.337 -0.847 . . . . 99.99 109.703 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.77 92.84 0.21 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -60.76 -46.18 91.47 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.889 0.875 . . . . 99.99 110.274 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -99.81 140.49 33.94 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.162 -1.051 . . . . 99.99 108.162 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . 0.791 ' HB ' ' HA ' ' E' ' 110' ' ' ALA . 1.3 p -74.64 83.04 2.06 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.616 0.766 . . . . 99.99 112.197 -174.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -82.13 -40.22 22.18 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.511 1.125 . . . . 99.99 109.728 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.468 ' HD1' HE21 ' D' ' 144' ' ' GLN . 0.4 OUTLIER -77.77 -22.32 50.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.53 0.332 . . . . 99.99 110.674 169.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . 0.791 ' HA ' ' HB ' ' E' ' 107' ' ' THR . . . 69.97 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.479 1.511 . . . . 99.99 112.614 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.688 ' HB3' ' HA ' ' D' ' 45' ' ' ASP . 46.8 tp -71.69 -44.82 63.55 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.6 129.36 34.84 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.854 -0.795 . . . . 99.99 108.854 171.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -92.48 22.09 4.87 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 99.99 111.005 -173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 85.44 120.54 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.604 1.962 . . . . 99.99 110.984 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 14.0 m -58.13 -19.96 36.74 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.053 1.741 . . . . 99.99 113.705 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 -20.3 57.66 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 114.311 0.484 . . . . 99.99 114.311 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' E' ' 117' ' ' LYS . 0.0 OUTLIER -128.95 155.04 80.27 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.872 0.869 . . . . 99.99 108.762 176.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' HB1' ' E' ' 253' ' ' ALA . 47.0 Cg_exo -57.19 106.16 0.22 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.294 2.663 . . . . 99.99 111.844 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.6 -50.04 54.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.992 0.917 . . . . 99.99 110.243 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -170.12 -51.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.744 1.218 . . . . 99.99 108.003 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.69 ' HA ' ' HG3' ' E' ' 245' ' ' LYS . 29.9 m -104.88 140.87 21.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 C-N-CA 123.888 0.875 . . . . 99.99 109.618 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 20.5 p -142.23 -56.48 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.761 0.824 . . . . 99.99 110.178 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . 0.406 ' HB3' ' HE3' ' E' ' 245' ' ' LYS . 30.2 t70 -67.86 142.3 56.16 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.327 -175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -130.79 152.07 50.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.736 1.214 . . . . 99.99 108.403 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.05 104.49 4.31 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.949 0.5 . . . . 99.99 109.8 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -158.54 173.27 16.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.457 1.103 . . . . 96.83 109.394 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 34.4 p -155.09 141.32 18.52 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.997 0.519 . . . . 99.99 110.472 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.91 175.94 6.5 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.618 0.767 . . . . 74.48 111.057 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.9 m -135.85 142.11 44.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.987 0.915 . . . . 99.99 109.983 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.82 -165.49 1.14 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.182 0.993 . . . . 99.99 110.368 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 124' ' ' PRO . 21.0 p90 -154.29 172.66 17.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.64 0.776 . . . . 99.99 110.712 -172.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 52.9 m -146.93 -84.09 0.12 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.039 0.535 . . . . 99.99 111.729 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.624 ' H ' ' HG2' ' E' ' 148' ' ' GLU . 26.2 m 50.13 80.23 0.08 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.294 1.437 . . . . 99.99 110.563 -163.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.68 98.41 1.8 Allowed Glycine 0 C--N 1.344 0.993 0 CA-C-N 114.427 -1.261 . . . . 89.58 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' C' ' 12' ' ' GLN . 27.1 m -63.55 169.28 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.577 0.751 . . . . 99.99 110.995 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' E' ' 145' ' ' ASP . 30.8 ttmt -163.02 171.61 16.24 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 42.7 m 75.93 129.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.915 1.286 . . . . 99.99 110.087 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -114.59 -54.13 2.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.05 0.94 . . . . 99.99 109.455 -175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -73.53 125.89 28.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.386 0.674 . . . . 99.99 110.658 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.24 -63.43 4.48 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.64 0.588 . . . . 99.99 112.508 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' E' ' 465' ' ' LYS . . . -113.31 131.77 55.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.98 0.912 . . . . 99.99 109.011 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 131' ' ' VAL . 7.8 mp -97.0 41.25 1.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.938 0.895 . . . . 99.99 109.982 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 144.66 91.08 0.12 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.185 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' E' ' 467' ' ' ALA . 4.2 p -147.97 82.08 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 122.097 0.951 . . . . 99.99 108.924 168.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' E' ' 136' ' ' LYS . 12.7 t70 -153.36 121.15 6.02 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.794 -1.094 . . . . 99.99 108.522 167.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.47 88.94 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.517 -0.919 . . . . 99.99 108.517 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -142.33 113.09 7.38 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.15 -0.932 . . . . 99.99 109.501 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . 0.624 ' HG2' ' H ' ' E' ' 133' ' ' THR . 4.0 tm-20 -165.33 -67.87 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 98.11 3.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.251 -0.886 . . . . 99.99 110.322 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.63 162.15 27.98 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 107.032 -1.47 . . . . 99.99 107.032 163.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -53.3 114.35 5.95 Favored Pre-proline 0 N--CA 1.48 1.062 0 C-N-CA 122.702 0.401 . . . . 99.99 110.693 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -57.75 139.97 92.05 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 99.99 111.868 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 48.4 p -86.43 -178.19 6.38 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.293 -0.867 . . . . 99.99 111.081 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.68 -0.64 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 123.809 0.844 . . . . 99.99 112.156 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' D' ' 36' ' ' TRP . 2.1 tm? -49.33 -37.41 24.34 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.328 1.451 . . . . 99.99 112.399 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.23 102.5 0.09 Allowed 'General case' 0 C--N 1.36 1.035 0 N-CA-C 108.324 -0.991 . . . . 99.99 108.324 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' E' ' 160' ' ' ALA . 54.4 ttm -94.19 -23.88 17.72 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.195 -0.911 . . . . 99.99 111.246 -166.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 68.36 -67.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.095 1.358 . . . . 99.99 111.681 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -63.12 -3.75 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.83 1.252 . . . . 99.99 113.25 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' E' ' 157' ' ' MET . . . -51.8 -36.27 47.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.46 1.104 . . . . 99.99 111.581 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -100.14 87.65 3.52 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.536 -0.912 . . . . 99.99 108.536 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.2 136.79 24.23 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.185 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.21 79.16 2.33 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.557 0.743 . . . . 99.99 111.057 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 56.05 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.644 1.578 . . . . 99.99 112.545 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 18.1 m 61.56 72.31 0.52 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 125.513 1.525 . . . . 99.99 110.638 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -95.74 -63.34 0.97 Allowed Glycine 0 C--N 1.342 0.9 0 CA-C-N 114.087 -1.415 . . . . 99.99 111.698 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.27 -46.69 0.54 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 125.783 1.633 . . . . 99.99 111.505 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.05 -17.16 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 126.272 1.829 . . . . 99.99 114.58 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 6.7 m -75.87 18.81 0.24 Allowed 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 124.942 1.297 . . . . 99.99 114.093 -168.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . 0.433 HG23 ' H ' ' E' ' 171' ' ' ALA . 2.2 t -145.14 -72.64 0.25 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.615 0.643 . . . . 99.99 112.031 -175.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . 0.433 ' H ' HG23 ' E' ' 170' ' ' THR . . . -97.03 23.8 6.9 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.565 0.746 . . . . 99.99 112.675 -164.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -114.88 -78.44 0.58 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.834 0.453 . . . . 99.99 110.134 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . 0.493 HD23 ' H ' ' E' ' 238' ' ' THR . 54.7 tp -154.45 118.96 4.83 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 109.569 -0.53 . . . . 99.99 109.569 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.9 175.82 7.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.765 0.826 . . . . 99.99 109.542 168.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -52.68 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.064 0.946 . . . . 99.99 111.283 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 52.51 31.12 9.35 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.353 1.061 . . . . 99.99 113.062 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 54.9 p -63.32 -34.22 12.63 Favored Pre-proline 0 CA--C 1.567 1.633 0 N-CA-C 114.524 1.305 . . . . 99.99 114.524 -174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . 0.594 ' HA ' ' SG ' ' E' ' 190' ' ' CYS . 3.1 Cg_exo -86.19 41.74 0.87 Allowed 'Trans proline' 0 C--N 1.393 2.9 0 C-N-CA 122.291 1.994 . . . . 99.99 113.603 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.83 83.38 4.18 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.824 0.45 . . . . 99.99 110.305 176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' E' ' 190' ' ' CYS . . . -166.62 -143.87 0.06 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.263 1.025 . . . . 99.99 109.365 -176.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.25 131.29 34.83 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.364 -0.606 . . . . 99.99 109.364 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . 0.464 HG21 ' H ' ' E' ' 186' ' ' THR . 5.3 m -133.62 116.83 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.406 1.082 . . . . 99.99 109.078 -175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -82.72 62.12 6.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.613 0.765 . . . . 99.99 110.898 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 176.83 -31.02 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.596 1.159 . . . . 99.99 110.493 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t 71.68 106.49 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 125.051 1.34 . . . . 99.99 108.268 -163.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . 0.464 ' H ' HG21 ' E' ' 182' ' ' VAL . 43.4 m 72.0 112.96 0.06 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.258 1.423 . . . . 99.99 109.642 -170.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 41.3 m 73.14 164.29 0.28 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.794 1.238 . . . . 99.99 112.073 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 73.94 133.75 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.752 1.621 . . . . 99.99 110.727 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.9 -140.76 0.53 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.3 1.44 . . . . 99.99 112.582 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' E' ' 178' ' ' PRO . 23.2 t 74.0 -70.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.983 1.313 . . . . 99.99 110.585 -169.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . 0.499 ' HD2' HG22 ' E' ' 232' ' ' THR . 59.2 t80 -155.49 148.47 24.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.285 0.634 . . . . 99.99 109.491 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 79.93 -176.89 54.55 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 123.423 0.452 . . . . 99.99 112.636 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . 0.548 ' HG3' ' HD3' ' E' ' 84' ' ' ARG . 44.5 Cg_endo -84.61 -3.31 9.95 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.234 2.623 . . . . 99.99 112.541 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 14.3 m 66.81 -165.57 0.22 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 124.914 1.286 . . . . 99.99 111.12 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . 0.503 ' HB2' ' H ' ' E' ' 61' ' ' ASP . . . -73.98 80.49 1.68 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 108.764 -0.828 . . . . 99.99 108.764 167.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 22.4 m -61.56 -49.82 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.719 -0.845 . . . . 99.99 108.719 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 15.1 m 48.49 87.62 0.02 OUTLIER 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.523 1.765 . . . . 99.99 111.828 170.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.62 91.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.699 0.624 . . . . 99.99 110.177 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 67.27 166.42 0.23 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.423 1.489 . . . . 99.99 110.536 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' E' ' 201' ' ' PRO . 75.5 m -61.42 117.72 30.09 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' E' ' 200' ' ' CYS . 11.9 Cg_exo -70.91 69.49 2.27 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.366 2.71 . . . . 99.99 112.298 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -87.55 -22.93 41.51 Favored Glycine 0 N--CA 1.469 0.89 0 CA-C-O 119.617 -0.546 . . . . 99.99 113.324 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 6.0 t30 68.99 -67.62 0.21 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.643 1.577 . . . . 99.99 110.779 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -150.85 50.15 0.86 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 61.2 tp 71.46 -77.53 0.05 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.657 1.583 . . . . 99.99 110.428 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . 0.703 ' HG2' ' HG3' ' E' ' 207' ' ' LYS . 42.2 tt0 -106.23 -77.95 0.58 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.343 0.657 . . . . 99.99 109.496 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . 0.703 ' HG3' ' HG2' ' E' ' 206' ' ' GLU . 84.4 mttt -119.23 -58.7 1.91 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.53 -0.915 . . . . 99.99 108.53 -176.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 101.62 -43.86 1.64 Allowed Glycine 0 C--N 1.351 1.391 0 CA-C-N 115.467 -0.788 . . . . 99.99 112.178 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 80.79 -75.72 2.22 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 112.166 -0.374 . . . . 99.99 112.166 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -147.56 113.99 5.96 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -109.83 162.09 12.79 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.515 0.509 . . . . 99.99 112.171 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 48.0 p -71.43 120.01 16.4 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.222 0.609 . . . . 99.99 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 11.8 mt 61.47 170.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.711 0 C-N-CA 124.902 1.281 . . . . 99.99 111.098 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' E' ' 219' ' ' ASN . 71.9 p -93.56 5.41 51.68 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.16 -0.963 . . . . 99.99 111.146 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.52 -33.3 75.6 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.104 0.409 . . . . 99.99 112.104 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . 0.44 ' HB2' HD12 ' E' ' 217' ' ' LEU . 42.7 mt-30 -83.77 -50.28 8.28 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.664 0.786 . . . . 99.99 109.559 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' E' ' 216' ' ' GLN . 6.2 mp -85.59 93.6 8.85 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.991 -1.004 . . . . 99.99 109.737 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . 0.633 ' HB3' ' H ' ' E' ' 4' ' ' SER 0.253 4.0 pp 59.25 -63.03 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 127.69 2.396 . . . . 99.99 116.282 168.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . 0.543 ' HB3' ' HB ' ' E' ' 214' ' ' THR . 54.8 t30 -72.28 77.41 1.0 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.364 1.066 . . . . 99.99 112.068 -172.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 158.29 -55.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.771 2.428 . . . . 99.99 107.363 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -108.31 89.46 3.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.001 0.92 . . . . 99.99 108.87 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -125.59 37.92 4.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.767 0.827 . . . . 99.99 111.214 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -69.52 101.05 1.51 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.253 -1.017 . . . . 99.99 108.253 168.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 20.2 m -61.93 143.8 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 124.217 0.948 . . . . 99.99 111.947 -172.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 21.4 p -80.31 77.88 7.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.267 0.627 . . . . 99.99 109.694 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' E' ' 84' ' ' ARG . 3.0 mm? 54.47 -88.26 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 125.511 1.524 . . . . 99.99 111.283 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' E' ' 84' ' ' ARG . . . 67.95 177.59 12.17 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-O 119.475 -0.625 . . . . 99.99 114.283 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 45.8 52.91 9.11 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 115.651 1.02 . . . . 99.99 115.651 167.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' E' ' 83' ' ' ALA . . . 86.98 46.84 4.96 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.91 77.21 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.068 1.347 . . . . 99.99 114.148 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' E' ' 62' ' ' LYS . 22.0 tptm -85.3 -75.05 0.38 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.771 -177.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.499 HG22 ' HD2' ' E' ' 191' ' ' TYR . 23.8 p -136.53 -84.09 0.36 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.6 0.76 . . . . 99.99 109.58 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' E' ' 62' ' ' LYS . 1.5 m-85 70.9 140.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 125.458 1.503 . . . . 99.99 111.33 -175.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.06 27.91 16.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.955 0.902 . . . . 99.99 111.829 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' E' ' 80' ' ' ILE . 2.0 tm-20 -71.88 153.84 41.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.015 -1.106 . . . . 99.99 108.015 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 18.1 m -60.22 91.26 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.614 0.766 . . . . 99.99 111.555 -176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -151.94 141.37 21.58 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.19 -0.914 . . . . 99.99 109.198 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.493 ' H ' HD23 ' E' ' 173' ' ' LEU . 39.1 p -86.15 130.35 34.55 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.312 -0.625 . . . . 99.99 109.312 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -73.37 -11.12 60.37 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.342 0.657 . . . . 99.99 111.178 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 103.27 -34.47 5.74 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.908 -0.587 . . . . 99.99 111.838 -177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 49.96 -73.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 127.133 2.173 . . . . 99.99 113.69 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.2 t90 72.43 -66.79 0.29 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.761 1.624 . . . . 99.99 111.819 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -77.83 78.43 4.33 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.992 0.917 . . . . 99.99 108.719 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.94 18.91 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 114.844 -1.071 . . . . 99.99 110.789 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.69 ' HG3' ' HA ' ' E' ' 121' ' ' VAL . 38.5 mmtm -84.4 -65.57 0.99 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.093 0.557 . . . . 99.99 111.709 -171.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 24.8 p 59.85 -173.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 125.414 1.486 . . . . 99.99 111.708 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.6 pp -76.3 -18.05 59.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 121.525 -0.734 . . . . 99.99 111.069 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -58.19 -14.33 6.82 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 124.818 1.247 . . . . 99.99 113.465 -175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -62.86 -11.99 21.88 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.223 1.564 . . . . 99.99 115.223 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 31.5 mm-40 -43.33 -30.11 0.49 Allowed 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.846 1.425 . . . . 99.99 114.846 -163.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -51.78 -56.07 16.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.432 0.693 . . . . 99.99 111.481 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -85.61 -41.6 15.08 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 123.407 0.442 . . . . 99.99 110.54 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . 0.595 ' HB1' ' HG3' ' E' ' 118' ' ' PRO . . . -72.91 2.56 6.61 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.347 1.059 . . . . 99.99 113.678 -168.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -66.76 0.34 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 156.14 78.0 0.02 OUTLIER Glycine 0 C--N 1.344 1.027 0 C-N-CA 121.727 -0.273 . . . . 99.99 112.494 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -91.25 43.51 1.15 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.732 0.777 . . . . 99.99 109.488 172.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . 0.727 ' HG2' ' HB ' ' D' ' 65' ' ' THR . 58.4 tp60 -168.75 153.48 5.97 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.268 -0.878 . . . . 99.99 109.832 -175.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 47.8 tp 82.82 -45.84 0.14 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.845 2.058 . . . . 99.99 109.835 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' E' ' 264' ' ' SER . 14.6 p -103.8 23.82 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 C-N-CA 124.731 1.212 . . . . 99.99 109.058 171.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.8 t 69.46 -69.78 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.232 1.413 . . . . 99.99 110.385 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 178.62 -158.67 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.025 1.73 . . . . 99.99 108.366 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.39 -19.0 63.82 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.542 0.737 . . . . 99.99 112.178 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -84.41 2.43 40.69 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.297 1.039 . . . . 99.99 112.596 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' E' ' 259' ' ' VAL . 19.6 p -57.69 94.7 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-O 121.608 0.718 . . . . 99.99 111.222 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 26.6 tp -103.9 17.09 24.83 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.026 -0.988 . . . . 99.99 109.88 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 57.9 t30 61.9 87.36 0.1 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.461 1.104 . . . . 99.99 110.738 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 22.7 t 61.22 87.55 0.09 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.054 1.342 . . . . 99.99 110.18 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.11 -68.07 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.638 -172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.3 t -164.48 44.97 0.1 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 122.226 1.012 . . . . 99.99 110.306 -172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -33.37 0.59 Allowed 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 115.469 -0.787 . . . . 99.99 112.726 -169.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -81.15 -69.13 0.63 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.19 0.441 . . . . 99.99 112.19 -168.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -117.63 -13.07 10.24 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.244 0.618 . . . . 99.99 111.289 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.93 -28.39 70.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.2 1.0 . . . . 99.99 112.022 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -83.96 -22.63 31.39 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.51 0.724 . . . . 99.99 112.072 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' C' ' 50' ' ' GLN . 82.1 tttt -103.12 122.16 46.37 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 122.582 0.353 . . . . 99.99 111.245 -171.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -95.51 -62.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 124.448 3.432 . . . . 99.99 113.247 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.554 HD23 ' H ' ' E' ' 277' ' ' LEU . 2.7 pt? -106.82 -159.71 0.71 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.991 0.916 . . . . 99.99 109.8 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.55 HD22 ' HD2' ' C' ' 56' ' ' TYR . 65.4 tp 84.03 123.46 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.025 1.73 . . . . 99.99 110.732 176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -151.57 42.06 0.73 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.158 -0.474 . . . . 99.99 112.106 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' C' ' 98' ' ' LEU . 4.5 mm? -89.07 176.84 6.82 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.173 0.589 . . . . 99.99 110.66 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 65.3 23.64 12.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.657 1.183 . . . . 99.99 111.625 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.607 0.763 . . . . 99.99 110.116 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -167.91 150.28 5.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.62 1.168 . . . . 99.99 109.077 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -136.99 126.59 3.75 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 110.94 -0.864 . . . . 99.99 110.94 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -86.6 -1.79 57.96 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.5 0.72 . . . . 99.99 111.729 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 153' ' ' GLN . 3.3 mpp? -91.64 107.11 19.75 Favored Pre-proline 0 N--CA 1.477 0.878 0 N-CA-C 109.453 -0.573 . . . . 99.99 109.453 174.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.01 172.28 12.09 Favored 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.686 2.258 . . . . 99.99 110.808 171.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.94 -85.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' A' ' 3' ' ' GLU . 79.1 mtt180 54.34 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 124.494 1.117 . . . . 99.99 112.093 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.526 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 95.8 m95 -99.15 107.03 19.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.925 -1.139 . . . . 99.99 107.925 172.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.95 -13.25 62.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.66 1.184 . . . . 99.99 111.715 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . 0.403 ' HA2' ' HG3' ' A' ' 4' ' ' GLN . . . -149.01 173.72 28.83 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.351 -0.694 . . . . 99.99 111.704 175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.35 143.72 89.53 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.956 3.104 . . . . 99.99 112.936 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -142.55 159.75 41.62 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.835 0.854 . . . . 99.99 110.558 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -157.13 96.81 1.61 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.388 1.075 . . . . 99.99 108.567 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 29.9 m -59.42 -52.28 66.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.595 0.758 . . . . 99.99 110.351 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 20.7 m-30 -93.42 42.49 1.1 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.609 -0.723 . . . . 99.99 111.006 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -63.72 -49.94 71.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.857 0.863 . . . . 99.99 110.401 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 171.12 -137.58 4.47 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.195 -1.162 . . . . 99.99 110.195 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 56.98 23.91 8.86 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.264 1.025 . . . . 99.99 111.637 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' C' ' 124' ' ' PRO . 12.0 tt -128.53 137.9 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 124.558 1.143 . . . . 99.99 108.575 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -160.53 165.31 31.08 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.826 -1.175 . . . . 99.99 107.826 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.429 ' HZ3' ' HB2' ' E' ' 303' ' ' LYS . 0.1 OUTLIER -90.35 105.73 12.57 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.222 1.009 . . . . 99.99 108.313 177.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -75.6 108.0 2.6 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.528 2.152 . . . . 99.99 110.31 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -66.17 96.78 0.35 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.119 0.568 . . . . 99.99 110.196 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.617 HG12 HG21 ' E' ' 6' ' ' ILE . 27.6 m -78.52 120.22 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.888 -0.596 . . . . 99.99 110.364 -175.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 156.13 48.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.444 0.698 . . . . 99.99 110.91 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 53.8 t -108.16 80.07 1.33 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 168.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 5.3 p -95.28 104.11 14.33 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.809 . . . . 99.99 109.537 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.93 -37.66 4.77 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.891 2.394 . . . . 99.99 113.167 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.26 109.79 0.02 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 125.128 1.371 . . . . 99.99 110.689 -173.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.47 -30.44 15.8 Favored 'Trans proline' 0 C--N 1.384 2.432 0 C-N-CA 123.75 2.967 . . . . 99.99 114.215 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . 0.551 ' NE2' ' HG3' ' E' ' 206' ' ' GLU . 0.0 OUTLIER -126.82 122.4 34.63 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.604 -0.888 . . . . 99.99 108.604 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' E' ' 314' ' ' ARG . 0.1 OUTLIER -86.99 -70.88 0.58 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.49 0.716 . . . . 99.99 110.106 -176.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -131.85 -43.96 0.98 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.032 0.533 . . . . 99.99 110.106 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -165.48 129.36 2.29 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.433 1.093 . . . . 99.99 108.506 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 50.3 m -80.76 104.17 11.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.777 0.431 . . . . 99.99 110.127 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.55 160.26 72.8 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 123.866 0.867 . . . . 99.99 110.491 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.31 84.28 0.27 Allowed 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 122.424 2.083 . . . . 99.99 112.098 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 38.4 m -83.79 82.54 8.28 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.578 0.751 . . . . 99.99 109.484 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 63.4 tp -163.17 132.74 4.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.88 -1.054 . . . . 99.99 108.906 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -138.69 111.17 7.52 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 74.9 mt-30 -86.83 -83.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.522 0.729 . . . . 99.99 110.659 -169.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 77.2 mtm -140.97 -46.03 0.39 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.144 0.978 . . . . 99.99 110.157 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 30.3 m 70.64 -66.92 0.27 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.933 1.693 . . . . 99.99 111.224 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.34 -32.85 74.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.205 1.002 . . . . 99.99 112.247 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' E' ' 330' ' ' GLU . 7.1 tmtm? 78.26 -62.96 0.33 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.538 1.535 . . . . 99.99 110.708 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -64.67 -7.18 9.68 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.794 0.838 . . . . 99.99 112.961 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.9 tt -55.15 -28.26 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 125.717 1.607 . . . . 99.99 111.95 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' E' ' 327' ' ' LYS . 12.2 pt-20 -65.22 -40.64 94.37 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.423 0.689 . . . . 99.99 110.601 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.69 -27.95 68.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.36 1.064 . . . . 99.99 109.265 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' E' ' 408' ' ' LEU . 0.8 OUTLIER 46.1 -159.78 0.03 OUTLIER 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.516 1.927 . . . . 99.99 112.241 -177.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 69.4 m -141.57 -159.6 0.98 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.017 0.927 . . . . 99.99 108.667 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 104.83 0.35 Allowed 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.041 0.924 . . . . 99.99 110.292 171.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -166.72 -31.74 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.52 1.128 . . . . 99.99 109.386 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.47 ' O ' ' HA3' ' E' ' 407' ' ' GLY . 3.5 tm-20 78.83 -75.03 0.05 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.452 1.501 . . . . 99.99 108.99 177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' E' ' 415' ' ' LYS . 2.4 ptmt 79.87 -30.83 0.13 Allowed 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 126.235 1.814 . . . . 99.99 113.677 170.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -60.36 -31.47 74.07 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 123.494 0.568 . . . . 99.99 113.413 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.38 100.57 9.31 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . 0.443 ' HE1' ' HB3' ' B' ' 90' ' ' GLU . 33.7 t80 -95.44 44.93 1.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.245 1.018 . . . . 99.99 109.589 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.5 tp 57.6 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.876 1.271 . . . . 99.99 110.868 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -147.76 129.38 15.05 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.873 -1.158 . . . . 99.99 107.873 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.1 149.94 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.914 0.885 . . . . 99.99 108.848 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.49 143.8 44.45 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.489 0.716 . . . . 99.99 109.675 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -82.54 67.14 3.77 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 111.405 -0.678 . . . . 99.99 111.405 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 61.17 -157.62 0.34 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.038 1.335 . . . . 99.99 111.447 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 44.2 p -68.43 169.59 10.49 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 123.008 0.523 . . . . 99.99 110.119 167.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . 0.618 HG13 ' HB2' ' E' ' 351' ' ' GLN . 22.2 pt -58.12 133.4 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 110.167 -0.309 . . . . 99.99 110.167 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.96 148.33 51.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.311 0.644 . . . . 99.99 110.04 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 61.1 tttm 78.66 -9.55 1.49 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.947 1.299 . . . . 99.99 112.171 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . 0.618 ' HB2' HG13 ' E' ' 348' ' ' ILE . 16.4 tt0 -55.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.533 1.133 . . . . 99.99 111.02 177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -100.62 128.76 46.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.007 -0.997 . . . . 99.99 108.817 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -97.22 1.3 49.56 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.75 1.22 . . . . 99.99 110.636 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.54 27.59 3.8 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.416 1.487 . . . . 99.99 110.539 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.03 44.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.644 0.778 . . . . 99.99 110.997 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -63.63 -52.46 58.73 Favored Pre-proline 0 CA--C 1.562 1.418 0 CA-C-O 118.588 -0.72 . . . . 99.99 111.093 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.66 -54.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.016 0 CA-C-N 120.917 1.363 . . . . 99.99 112.165 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 51.3 t 63.12 -75.39 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.965 1.706 . . . . 99.99 111.944 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 112.3 -160.07 13.36 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 115.561 -0.745 . . . . 99.99 111.841 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -162.98 152.61 15.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.828 0.851 . . . . 99.99 108.772 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.06 73.51 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 CA-C-O 122.419 1.104 . . . . 99.99 111.626 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -91.13 70.04 2.05 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 114.906 -1.043 . . . . 99.99 111.071 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -66.3 -56.99 8.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.73 0.812 . . . . 99.99 109.074 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 1.5 p -122.13 103.23 8.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.188 0.995 . . . . 99.99 108.632 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.45 137.12 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.871 0.868 . . . . 99.99 110.095 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.93 174.05 6.55 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.907 0.883 . . . . 99.99 110.816 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.37 -16.09 59.43 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.079 -0.964 . . . . 99.99 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.75 -52.17 50.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.666 1.187 . . . . 99.99 111.501 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -69.45 -36.26 76.43 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.027 -0.988 . . . . 99.99 111.238 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.17 97.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.112 0.565 . . . . 99.99 111.493 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.54 -41.27 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.762 0.425 . . . . 99.99 111.058 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -67.98 -24.5 65.15 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.682 0.393 . . . . 99.99 110.454 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.475 ' HA ' ' HG2' ' E' ' 376' ' ' GLU . 36.8 ttm180 -64.27 -26.83 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.829 0.706 . . . . 99.99 111.49 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.51 74.03 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.014 -0.539 . . . . 99.99 110.256 172.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 7.3 mp -85.33 -25.29 27.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.865 0.866 . . . . 99.99 111.875 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . 0.48 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 6.1 pt-20 -71.22 -13.78 62.03 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.154 0.798 . . . . 99.99 113.154 -172.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.47 -31.29 6.14 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.467 0.707 . . . . 99.99 112.247 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.16 93.27 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.592 0.757 . . . . 99.99 111.616 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -65.01 -38.25 90.32 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.679 0.791 . . . . 99.99 110.187 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . 0.48 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 65.1 mttm -69.92 -21.26 63.31 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.523 0.729 . . . . 99.99 111.997 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.41 -30.22 66.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.711 0.804 . . . . 99.99 111.049 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -72.55 -10.07 74.97 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.82 -0.989 . . . . 99.99 114.837 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.76 172.97 0.27 Allowed 'General case' 0 CA--C 1.567 1.612 0 C-N-CA 123.973 0.909 . . . . 99.99 110.414 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 31.9 p -68.21 97.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 109.314 -0.624 . . . . 99.99 109.314 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.87 -41.27 67.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.662 0.785 . . . . 99.99 110.433 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.45 103.92 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 114.917 -1.038 . . . . 99.99 109.026 170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.95 108.36 9.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 108.655 -0.868 . . . . 99.99 108.655 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.85 114.84 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.203 -0.666 . . . . 99.99 109.203 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 10.7 t -80.39 158.36 26.02 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-N 115.893 -0.594 . . . . 99.99 109.565 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.89 89.6 2.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' E' ' 351' ' ' GLN . 61.5 t0 -94.42 109.9 21.73 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.974 -1.121 . . . . 99.99 107.974 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . 0.609 ' HA ' HD12 ' E' ' 348' ' ' ILE . 0.7 OUTLIER -81.81 158.8 23.95 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.812 0.671 . . . . 99.99 112.812 -171.145 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -101.26 161.75 13.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.721 -1.127 . . . . 99.99 110.45 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -74.63 -37.52 62.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.416 0.686 . . . . 99.99 109.884 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' E' ' 399' ' ' VAL . . . -99.27 123.41 43.53 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.702 0.801 . . . . 99.99 110.018 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 21.0 m -77.47 91.58 3.92 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.01 0.924 . . . . 99.99 112.176 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 53.89 -79.55 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.878 1.671 . . . . 99.99 114.165 167.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 41.5 pt -65.75 -29.94 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.741 0.816 . . . . 99.99 111.974 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' E' ' 395' ' ' ALA . 8.9 p -98.92 7.84 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 C-N-CA 123.69 0.796 . . . . 99.99 110.784 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.45 62.42 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-O 118.737 -0.649 . . . . 99.99 112.115 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.24 129.98 8.97 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 121.691 1.594 . . . . 99.99 110.543 166.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -81.6 -45.23 16.12 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.339 0.656 . . . . 99.99 110.472 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m -105.6 142.97 34.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.095 0.958 . . . . 99.99 109.554 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -83.86 159.69 21.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.111 0.564 . . . . 99.99 109.823 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' E' ' 410' ' ' GLN . . . -88.09 112.91 52.43 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-O 119.038 -0.506 . . . . 99.99 109.775 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' E' ' 410' ' ' GLN . 85.9 Cg_endo -76.55 127.12 9.44 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.362 2.041 . . . . 99.99 111.333 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' E' ' 336' ' ' GLU . . . -64.15 -174.07 3.35 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 120.011 -0.327 . . . . 99.99 113.674 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' E' ' 332' ' ' LEU . 6.1 mp 72.93 -68.87 0.21 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.82 1.248 . . . . 99.99 109.571 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 75.5 p -65.83 -40.15 91.52 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.082 0.953 . . . . 99.99 110.272 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . 0.431 ' HG3' ' HB1' ' E' ' 405' ' ' ALA . 0.0 OUTLIER -84.5 95.81 8.93 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 106.264 -1.754 . . . . 99.99 106.264 161.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . 0.667 ' HB3' ' HG2' ' B' ' 150' ' ' GLU . . . -59.13 -47.2 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.079 0.862 . . . . 99.99 111.507 -172.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.486 ' HB2' ' HD3' ' E' ' 337' ' ' LYS . 82.3 mt 52.89 67.76 0.94 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.883 1.273 . . . . 99.99 111.171 170.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.37 29.34 0.19 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.081 1.352 . . . . 99.99 113.957 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 14.8 t -144.94 10.19 1.33 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.406 0.682 . . . . 99.99 111.165 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.514 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 7.9 mtpm? -100.87 -174.58 2.66 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.197 0.522 . . . . 99.99 111.636 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -50.01 -33.16 17.19 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.616 1.967 . . . . 99.99 112.95 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . 0.444 ' HA3' ' HE3' ' E' ' 337' ' ' LYS . . . -73.34 74.13 1.07 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 112.082 -0.407 . . . . 99.99 112.082 172.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -127.63 167.12 16.84 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.578 1.151 . . . . 99.99 109.843 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.39 166.92 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.445 0.698 . . . . 99.99 109.388 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 4.7 tpt 72.61 15.53 4.95 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.291 1.436 . . . . 99.99 110.884 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 59.5 t 65.71 -79.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 125.555 1.542 . . . . 99.99 110.941 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -144.34 8.91 1.4 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.414 0.686 . . . . 99.99 110.665 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 38.8 m 56.52 61.36 2.71 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.968 1.307 . . . . 99.99 110.683 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 71.0 t80 67.08 -73.64 0.08 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.061 1.344 . . . . 99.99 111.265 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 77.66 -116.45 4.5 Favored Glycine 0 C--N 1.341 0.815 0 N-CA-C 111.419 -0.672 . . . . 99.99 111.419 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -157.79 131.61 7.98 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.325 0.65 . . . . 99.99 109.554 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 22.7 t -105.29 -152.25 0.46 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.413 1.085 . . . . 99.99 108.543 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -82.97 39.59 0.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.407 1.083 . . . . 99.99 111.436 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -80.05 -55.53 4.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.814 1.245 . . . . 99.99 109.863 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.4 1.63 15.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 113.505 -1.68 . . . . 99.99 112.513 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 21.2 m -54.4 -33.52 59.47 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.783 0.833 . . . . 99.99 112.196 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.26 -29.9 63.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.653 0.781 . . . . 99.99 110.891 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -73.87 -14.05 61.01 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.251 0.62 . . . . 99.99 111.361 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -86.15 45.47 1.23 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 99.99 110.474 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.0 m 65.46 21.57 11.84 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.987 1.315 . . . . 99.99 110.529 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -85.27 132.11 10.88 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.353 -0.693 . . . . 99.99 112.923 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 35.9 t 79.84 -38.87 0.18 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.009 1.724 . . . . 99.99 112.839 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.59 144.14 56.6 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.521 0.728 . . . . 99.99 112.085 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.21 78.18 5.69 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.902 -1.147 . . . . 99.99 107.902 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -76.87 -41.15 45.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.581 -0.736 . . . . 99.99 109.918 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 16.9 tt -161.83 144.23 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 CA-C-N 115.294 -0.866 . . . . 99.99 110.222 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -137.92 67.28 1.42 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 107.73 -1.211 . . . . 99.99 107.73 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 64.91 -75.28 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.296 1.438 . . . . 99.99 110.607 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -171.38 -36.3 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.448 1.499 . . . . 99.99 108.803 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 153.02 179.25 28.39 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 115.13 -0.941 . . . . 99.99 111.461 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.95 128.38 17.65 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.444 2.096 . . . . 99.99 110.782 173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -81.19 -10.38 59.63 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.091 0.556 . . . . 99.99 109.803 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.44 167.0 0.28 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.69 1.596 . . . . 99.99 111.365 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.99 -171.06 3.39 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.277 0.631 . . . . 99.99 111.515 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' A' ' 56' ' ' TYR . 25.8 t-20 -146.78 -64.82 0.29 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.391 0.676 . . . . 99.99 109.368 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.66 -36.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.342 0.657 . . . . 99.99 109.804 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.443 HG13 HD21 ' A' ' 98' ' ' LEU . 27.3 m -117.96 -174.99 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.976 0.91 . . . . 99.99 110.098 173.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -101.13 -53.65 1.0 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.197 -1.161 . . . . 99.99 110.197 167.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 19.2 tp 64.01 12.81 7.21 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.622 1.569 . . . . 99.99 112.352 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 33.4 p -84.76 84.19 7.77 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.372 0.605 . . . . 99.99 110.465 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -139.24 135.33 33.79 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.558 -0.904 . . . . 99.99 108.558 175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.82 -29.12 70.48 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.377 1.071 . . . . 99.99 111.417 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 13.3 m -89.97 112.07 23.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.122 -0.696 . . . . 99.99 109.122 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.07 108.22 11.2 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 85.3 mt 67.54 -161.3 0.22 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.612 1.165 . . . . 99.99 110.174 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -133.51 30.26 3.83 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.447 0.699 . . . . 99.99 109.757 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -126.72 106.63 9.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.854 0.862 . . . . 99.99 109.12 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 45.7 m -79.53 86.06 5.23 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.424 ' HB2' HD11 ' A' ' 44' ' ' LEU . 20.7 ttt -69.82 134.32 48.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.688 -171.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' E' ' 141' ' ' ALA . 2.9 tmtp? -84.87 135.85 33.9 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . 0.406 ' N ' ' HD3' ' E' ' 465' ' ' LYS . . . -92.47 -149.08 0.24 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.86 1.264 . . . . 99.99 111.601 -175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . 0.638 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . . . 76.61 48.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 125.445 1.498 . . . . 99.99 110.311 -174.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -121.15 -3.24 9.54 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.057 -0.974 . . . . 99.99 113.372 -171.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . 0.504 ' H ' HG11 ' A' ' 40' ' ' VAL . . . -165.75 98.14 0.15 Allowed Glycine 0 C--N 1.348 1.213 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.4 176.1 5.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.902 0.881 . . . . 99.99 111.063 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.569 0.748 . . . . 99.99 110.611 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttm . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -110.42 -27.93 8.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.207 0.603 . . . . 99.99 109.996 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.63 102.12 4.47 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 108.714 -0.847 . . . . 99.99 108.714 169.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.43 9.82 10.24 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.657 0.783 . . . . 99.99 112.294 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 77.61 -34.17 0.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.667 1.587 . . . . 99.99 113.159 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t30 69.68 102.06 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.289 1.036 . . . . 99.99 110.707 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -100.07 157.91 16.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.601 0.76 . . . . 99.99 112.237 -173.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 62.5 -167.79 0.2 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.741 1.216 . . . . 99.99 112.034 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.68 43.83 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 109.079 -0.712 . . . . 99.99 109.079 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.07 144.0 0.23 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.185 1.394 . . . . 99.99 108.203 -172.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 12.2 t80 -95.63 127.33 41.57 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 167.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -149.87 111.72 4.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.265 1.026 . . . . 99.99 108.664 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG12 ' HD2' ' A' ' 84' ' ' PHE . 22.0 mt -70.3 120.43 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.494 -0.558 . . . . 63.61 109.494 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -88.96 -39.87 13.43 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.995 0.809 . . . . 99.99 110.223 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -171.05 119.29 0.5 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.556 -0.259 . . . . 87.02 111.273 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.37 135.37 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 109.044 -0.725 . . . . 27.8 109.044 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -158.79 176.32 12.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.341 1.056 . . . . 37.37 110.892 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 p -98.52 124.39 43.23 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.953 0.501 . . . . 12.57 109.933 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -91.04 -33.8 15.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.02 0.528 . . . . 37.56 110.779 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -143.98 141.96 30.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.605 -0.725 . . . . 38.09 109.452 176.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -138.52 150.62 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 125.224 1.41 . . . . 5.43 108.075 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -157.9 142.13 16.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.901 0.88 . . . . 6.92 110.418 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 87.5 t80 -144.77 128.06 16.79 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.767 1.227 . . . . 5.61 108.161 171.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 45.9 mt-10 -117.31 133.47 55.95 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.453 -0.943 . . . . 36.27 108.453 172.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -149.66 66.8 8.43 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.614 -1.254 . . . . 12.68 107.614 163.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.1 -36.32 29.92 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.856 1.704 . . . . 32.78 110.352 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.4 m-20 -93.69 15.8 15.46 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.402 -1.272 . . . . 80.05 111.027 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -46.34 -47.21 46.67 Favored Pre-proline 0 N--CA 1.498 1.937 0 N-CA-C 114.08 1.141 . . . . 31.49 114.08 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -87.76 -11.05 4.94 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.586 2.191 . . . . 44.68 113.625 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -93.78 -33.76 13.45 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.667 0.787 . . . . 99.99 112.313 -168.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 71' ' ' GLU . 39.6 t -62.67 -22.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 123.319 0.647 . . . . 99.99 110.775 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.87 -37.91 69.43 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.713 1.205 . . . . 99.99 111.66 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.83 -42.17 16.72 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.577 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -83.81 171.79 12.79 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.908 0.883 . . . . 99.99 111.714 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.96 125.73 24.86 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.102 0.561 . . . . 99.99 111.244 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -95.09 83.11 3.86 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.451 -0.795 . . . . 99.99 109.335 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -137.52 64.68 45.84 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 123.46 0.704 . . . . 99.99 110.0 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 7.3 Cg_exo -77.46 144.62 22.91 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.711 2.274 . . . . 57.34 112.378 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 126.82 43.13 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.526 1.131 . . . . 99.99 108.262 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' THR . 43.2 t -87.19 91.83 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.797 0.808 . . . . 48.36 110.79 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 45.0 tttp -89.21 114.79 26.16 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.531 0.732 . . . . 99.99 110.331 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD13 ' SD ' ' E' ' 464' ' ' MET . 2.2 tt -117.47 130.33 56.39 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.7 -0.852 . . . . 97.85 108.7 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.15 130.21 56.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.12 0.968 . . . . 85.15 109.922 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.66 133.46 52.06 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.996 0.918 . . . . 99.99 109.782 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.9 t70 -159.79 158.33 30.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.26 1.024 . . . . 78.84 109.032 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.9 m -126.42 149.18 49.43 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.788 0.835 . . . . 43.33 110.783 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.69 139.64 47.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.163 1.385 . . . . 41.53 107.991 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 p -133.66 152.98 52.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.801 0.84 . . . . 88.8 110.295 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.8 t -160.49 161.89 32.93 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.122 0.969 . . . . 73.87 109.65 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -114.39 127.95 56.1 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.938 -0.764 . . . . 99.99 108.938 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.71 -41.82 9.49 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.341 0.656 . . . . 99.99 110.461 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.03 -173.92 4.77 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.648 0.779 . . . . 99.99 110.612 -175.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.07 118.57 11.4 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.481 -0.563 . . . . 99.99 109.481 173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 72.35 -9.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.336 1.854 . . . . 99.99 112.773 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 60.0 t -100.37 111.44 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 108.685 -0.857 . . . . 99.99 108.685 -177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -122.46 162.86 20.9 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.382 -0.97 . . . . 99.99 108.382 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -132.82 136.7 46.43 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 123.975 0.91 . . . . 57.04 109.745 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HD3' ' A' ' 103' ' ' PRO . 46.7 t -125.28 131.46 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.083 -1.08 . . . . 54.22 108.083 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.507 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 22.7 t -118.74 135.95 57.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.725 1.21 . . . . 29.36 108.59 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -103.81 120.53 41.16 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.941 -1.133 . . . . 19.86 107.941 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 4.4 tpp180 -84.42 101.17 11.81 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 176.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.66 123.97 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.291 -0.633 . . . . 13.6 109.291 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 27.8 m -120.84 136.02 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.772 -0.825 . . . . 17.22 108.772 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 114' ' ' ILE . 75.7 t -132.44 107.68 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 107.765 -1.198 . . . . 14.92 107.765 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 8.3 m -114.03 147.24 39.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.836 -0.801 . . . . 21.43 108.836 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.55 106.76 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.367 -1.716 . . . . 23.61 106.367 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 48.4 t -149.31 154.33 38.83 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.528 0.331 . . . . 57.75 111.239 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.0 tp -131.78 74.56 1.59 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 99.99 109.524 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -84.8 0.78 Allowed Glycine 0 C--N 1.351 1.405 0 CA-C-N 114.82 -1.082 . . . . 93.1 112.762 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.666 ' HB3' ' HA2' ' E' ' 338' ' ' GLY . 9.3 pt-20 -98.47 -25.88 14.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.66 1.184 . . . . 99.99 111.0 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 31' ' ' VAL . 26.3 tp10 -109.61 92.12 3.92 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.076 0.55 . . . . 99.99 110.143 -169.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.1 m -73.93 128.98 36.97 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 120.906 0.384 . . . . 30.12 110.293 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -76.12 -62.42 1.61 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.407 -0.96 . . . . 22.88 108.407 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 162.33 37.65 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.408 -0.815 . . . . 30.01 111.072 176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 42.2 tp -131.94 141.03 49.19 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.051 -1.463 . . . . 14.44 107.051 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.402 ' SG ' ' HD1' ' A' ' 23' ' ' PHE . 79.4 m -143.43 104.44 4.24 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.6 1.16 . . . . 14.43 108.368 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.9 122.59 35.05 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.379 0.672 . . . . 35.14 109.87 -175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.98 111.97 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 124.017 0.927 . . . . 9.47 109.645 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.8 mp0 -84.15 84.95 7.43 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.245 -1.021 . . . . 43.33 108.245 170.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HG3' HD22 ' A' ' 106' ' ' LEU . 8.3 tp-100 -79.0 108.27 12.36 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.394 -1.276 . . . . 15.31 109.149 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -109.03 159.11 14.25 Favored Glycine 0 CA--C 1.506 -0.487 0 CA-C-O 121.146 0.304 . . . . 20.02 112.504 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.89 137.02 6.45 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.229 -0.748 . . . . 41.88 111.229 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.13 114.48 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.25 -1.018 . . . . 66.87 108.25 169.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.659 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 40.1 m-85 -118.81 120.21 36.69 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.799 -1.186 . . . . 77.52 107.799 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t -77.25 99.97 5.67 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 pt -138.12 116.13 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.242 1.017 . . . . 99.99 109.873 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.55 174.26 1.24 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.445 1.098 . . . . 99.99 109.32 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.17 6.06 88.94 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.318 -0.401 . . . . 99.99 112.53 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.61 142.3 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.723 1.609 . . . . 99.99 107.914 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -131.15 176.65 8.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.583 0.753 . . . . 99.99 111.21 -169.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.23 -149.06 51.66 Favored Glycine 0 C--N 1.356 1.694 0 CA-C-N 115.133 -0.939 . . . . 99.99 113.819 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 t -58.96 -27.23 65.16 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.138 0.975 . . . . 99.99 111.82 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.79 -53.3 59.51 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.742 0.817 . . . . 99.99 111.308 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.591 ' SD ' HG22 ' E' ' 451' ' ' VAL . 15.5 ptm -81.22 -37.27 28.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.698 -0.228 . . . . 99.99 110.422 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.34 83.35 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.116 0.885 . . . . 99.99 112.117 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -75.5 -41.69 54.73 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.72 0.637 . . . . 99.99 110.34 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 50.9 t -54.66 -37.08 65.28 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.695 0.622 . . . . 99.99 111.873 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 99' ' ' GLY . 3.4 pp -100.93 -33.55 10.15 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.833 0.679 . . . . 99.99 112.833 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.425 ' N ' HD12 ' A' ' 98' ' ' LEU . . . -89.01 -18.22 54.53 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 113.909 0.324 . . . . 99.99 113.909 -168.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -139.78 -60.5 0.54 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.849 0.459 . . . . 95.56 110.925 -175.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 59.1 t80 -51.39 -57.12 9.8 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.127 1.371 . . . . 94.48 114.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.7 m -62.11 -50.01 82.25 Favored Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 118.011 -0.995 . . . . 73.2 112.677 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HD3' HG11 ' A' ' 58' ' ' VAL . 35.5 Cg_endo -64.77 -25.41 60.89 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 121.936 1.758 . . . . 48.9 112.369 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 2.5 t30 -61.85 -45.32 94.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.573 0.749 . . . . 94.19 109.964 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 47.9 mm -84.65 -18.13 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.842 -1.072 . . . . 55.88 111.016 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 103' ' ' PRO . 39.3 mt -69.98 -20.28 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.147 0.579 . . . . 21.71 111.775 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -64.55 -44.82 75.81 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.059 -0.972 . . . . 15.39 113.365 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 74.8 Cg_exo -54.62 -34.17 82.13 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.359 2.039 . . . . 9.95 114.432 169.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -31.57 42.19 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.83 0.452 . . . . 20.66 111.18 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.25 77.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.479 -0.563 . . . . 7.34 109.479 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.506 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.5 ttm180 -57.7 -41.48 81.77 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 124.701 1.25 . . . . 15.45 110.903 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.554 ' HG2' HH22 ' B' ' 120' ' ' ARG . 31.4 tt0 -52.71 -43.5 65.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.401 1.08 . . . . 46.26 110.789 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.6 t -80.19 -40.78 26.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.915 0.886 . . . . 4.41 112.224 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 64' ' ' VAL . 57.3 mt -62.53 -58.84 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.409 1.083 . . . . 7.34 110.311 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.516 HG23 ' HG3' ' A' ' 125' ' ' GLN . 54.7 m -60.47 -31.38 70.4 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.541 1.136 . . . . 7.28 111.379 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -66.4 -44.15 83.83 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.159 0.584 . . . . 4.96 110.662 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.41 -32.51 73.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.643 0.377 . . . . 48.88 111.334 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 114' ' ' ILE . 79.1 t -64.35 -47.24 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 123.293 0.637 . . . . 26.6 109.936 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -72.21 -26.25 61.96 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.518 . . . . 17.97 111.867 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.664 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 89.0 mtt-85 -76.42 -30.58 57.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.48 0.712 . . . . 8.38 110.085 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.417 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -75.94 -2.41 71.21 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.492 -0.776 . . . . 6.18 112.98 172.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.478 HG22 HH21 ' B' ' 15' ' ' ARG . 9.3 m 62.98 17.48 10.12 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 125.252 1.421 . . . . 20.1 110.454 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 152.93 73.94 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.181 1.393 . . . . 13.71 110.11 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' E' ' 131' ' ' TRP . 71.7 Cg_exo -54.64 113.32 1.32 Allowed 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.103 2.535 . . . . 20.05 113.031 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' HG23 ' A' ' 115' ' ' THR . 4.7 tt0 -48.63 134.31 15.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.545 1.138 . . . . 39.31 112.784 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD12 HD21 ' E' ' 470' ' ' LEU . 1.6 tt -133.44 110.76 10.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.623 -1.251 . . . . 56.76 107.623 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.28 106.7 17.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.739 0.816 . . . . 38.41 109.596 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.76 129.35 37.74 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.213 1.005 . . . . 62.97 110.219 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.89 145.0 96.67 Favored Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.104 0.562 . . . . 56.46 112.239 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.547 ' HG3' HD11 ' C' ' 105' ' ' ILE . 92.3 Cg_endo -74.22 149.44 40.66 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.553 2.169 . . . . 77.42 111.57 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' E' ' 140' ' ' GLY . 14.3 m -117.85 112.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 107.75 -1.204 . . . . 99.99 107.75 172.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -104.09 81.18 1.81 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.301 -1.0 . . . . 99.99 108.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.94 -27.09 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.201 -1.363 . . . . 99.99 112.482 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.39 -49.68 7.07 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.324 0.49 . . . . 99.99 112.324 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 138' ' ' MET . . . -68.3 -23.8 64.78 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.386 0.884 . . . . 99.99 113.386 -164.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -72.43 -30.73 64.88 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.03 0.832 . . . . 99.99 109.808 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.55 -38.46 62.72 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.96 -0.564 . . . . 99.99 110.323 170.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.476 ' HB2' ' HA ' ' A' ' 135' ' ' ALA . 73.1 mtp -67.63 -19.61 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.741 0.416 . . . . 99.99 111.632 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.531 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 79.4 m-20 -59.24 -42.95 92.31 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.568 0.542 . . . . 99.99 110.511 170.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -66.82 -35.18 79.47 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 115.6 -0.727 . . . . 99.99 110.875 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.26 -52.26 55.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.398 0.279 . . . . 99.99 111.149 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -176.6 -8.54 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.559 0.948 . . . . 99.99 113.559 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 26.7 mt-30 -72.85 82.63 1.19 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.719 0.771 . . . . 99.99 109.952 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -156.39 11.33 0.26 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.403 -1.271 . . . . 99.99 109.912 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.04 89.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.615 1.166 . . . . 99.99 111.979 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.65 127.7 2.94 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -141.15 143.48 34.28 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.613 0.765 . . . . 99.99 109.304 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.26 -115.19 0.65 Allowed Glycine 0 C--N 1.339 0.742 0 N-CA-C 110.959 -0.856 . . . . 99.99 110.959 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 57.1 p 48.14 -85.02 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.435 1.494 . . . . 99.99 112.295 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.631 ' HG3' ' H ' ' A' ' 151' ' ' GLU . 14.1 pt-20 34.93 -91.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 126.237 1.815 . . . . 99.99 114.316 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.631 ' H ' ' HG3' ' A' ' 150' ' ' GLU . 40.2 tt0 -118.45 -17.02 9.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.824 1.25 . . . . 99.99 109.5 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 72.74 -75.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.897 1.679 . . . . 99.99 110.465 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 60.72 96.13 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.843 1.257 . . . . 99.99 112.135 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.4 t70 70.0 -76.85 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.204 1.401 . . . . 99.99 113.549 168.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.386 0 C-N-CA 125.9 1.68 . . . . 99.99 114.108 -165.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 119.653 -0.213 . . . . 99.99 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -75.7 -82.84 0.07 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.246 -0.65 . . . . 99.99 109.246 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 169.16 106.35 0.01 OUTLIER 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.951 1.7 . . . . 99.99 106.51 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -102.46 168.69 9.15 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.28 0.632 . . . . 99.99 109.476 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 62.74 -87.16 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.798 1.239 . . . . 99.99 109.998 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 65.2 t30 50.71 33.04 7.67 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.004 1.322 . . . . 99.99 112.847 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.9 p 49.14 71.84 0.35 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.945 1.298 . . . . 99.99 111.574 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 70.28 96.83 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.22 1.408 . . . . 99.99 110.376 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.449 ' HB3' HG23 ' B' ' 89' ' ' ILE . 22.4 ptm 57.98 -177.18 0.07 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 126.482 1.913 . . . . 99.99 114.393 173.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -133.36 138.5 46.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.33 1.052 . . . . 99.99 108.57 172.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -139.39 134.21 32.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.021 0.928 . . . . 93.55 109.765 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -154.42 139.44 17.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.774 0.671 . . . . 99.99 109.653 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.3 108.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.241 -1.392 . . . . 40.88 107.241 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -82.28 -49.81 9.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.795 0.438 . . . . 85.25 110.015 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.588 ' HG3' ' HB1' ' E' ' 128' ' ' ALA . 50.1 ttt180 -160.94 141.07 11.06 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.034 0.533 . . . . 95.33 110.439 -176.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.52 137.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 124.43 1.092 . . . . 13.6 108.061 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -163.39 177.17 9.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.041 0.937 . . . . 23.1 110.703 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.754 HG21 HD11 ' B' ' 21' ' ' ILE . 77.2 m -114.72 132.46 56.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.01 0.924 . . . . 6.51 109.807 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -97.82 -37.77 9.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.878 0.471 . . . . 19.94 111.166 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -134.37 140.89 46.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.647 0.379 . . . . 37.8 110.349 -171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.754 HD11 HG21 ' B' ' 18' ' ' THR . 45.6 mm -139.19 149.49 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.798 1.239 . . . . 5.14 107.8 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.461 ' OG ' ' HB3' ' B' ' 77' ' ' GLU . 73.9 p -160.09 153.63 22.43 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.394 -0.595 . . . . 19.25 109.394 166.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' B' ' 117' ' ' MET . 83.4 t80 -155.18 111.99 3.26 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.165 -1.05 . . . . 9.84 108.165 171.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -117.91 115.54 25.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.159 -1.052 . . . . 50.65 108.159 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -106.84 86.75 2.48 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 123.421 0.688 . . . . 18.09 109.163 171.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -66.54 -32.99 38.11 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.588 2.192 . . . . 31.77 111.323 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -115.54 25.12 11.04 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 49.39 110.301 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -39.18 -53.17 3.92 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 114.741 1.385 . . . . 51.5 114.741 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 6.0 Cg_endo -83.03 -17.32 6.89 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 122.321 2.014 . . . . 70.98 112.813 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -92.51 -7.45 47.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.82 1.248 . . . . 99.99 110.924 -177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.22 -29.03 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.493 1.117 . . . . 99.99 112.153 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -52.17 -31.48 31.59 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.232 1.013 . . . . 99.99 112.973 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.635 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 3.9 pt20 -62.7 -34.21 76.68 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.245 0.618 . . . . 99.99 112.265 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 90.4 mttt -98.51 108.92 21.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.687 0.795 . . . . 98.87 110.861 -172.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.74 78.13 2.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.478 0.711 . . . . 99.99 110.766 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -158.63 172.94 17.36 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.756 0.823 . . . . 99.99 109.592 165.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.11 122.51 75.82 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.99 149.21 91.19 Favored 'Trans proline' 0 C--N 1.381 2.276 0 C-N-CA 122.71 2.273 . . . . 63.52 113.528 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.36 101.54 5.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.144 -1.428 . . . . 99.99 107.144 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' OE1' ' E' ' 3' ' ' GLN . 47.7 t -87.38 158.22 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.207 -0.906 . . . . 72.1 108.935 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.479 ' HE2' ' HB2' ' B' ' 43' ' ' ASP . 56.3 tttt -115.94 124.75 51.35 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' NE2' ' E' ' 3' ' ' GLN . 47.7 mt -95.54 125.88 40.44 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.77 -1.196 . . . . 96.73 107.77 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' HE2' ' B' ' 41' ' ' LYS . 23.4 t0 -161.27 156.15 23.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.353 -1.351 . . . . 92.63 107.353 -176.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' E' ' 11' ' ' LEU . 1.3 pt? -141.04 153.21 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 123.532 0.733 . . . . 67.27 109.4 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 18.9 t70 -121.3 151.34 40.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 124.076 0.95 . . . . 58.71 108.673 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 78.0 p -108.13 122.69 47.42 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.3 1.04 . . . . 66.97 109.904 -167.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 59' ' ' VAL . . . -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.779 0.432 . . . . 35.64 109.856 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 63.8 m -144.65 163.81 32.84 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.804 0.842 . . . . 74.75 109.899 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 85.7 p -156.22 145.18 20.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.197 0.599 . . . . 43.74 110.476 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -81.69 125.91 31.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.876 0.47 . . . . 89.61 109.813 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' B' ' 57' ' ' GLU . 13.1 mt -100.98 -44.18 5.81 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.45 0.7 . . . . 71.01 109.395 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -142.05 -174.9 4.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.329 -1.305 . . . . 85.91 108.512 173.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.13 133.38 34.41 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.258 -0.645 . . . . 99.99 109.258 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 63.43 4.33 1.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.156 1.382 . . . . 99.99 112.559 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 50.5 t -123.98 117.07 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.428 1.091 . . . . 76.71 108.131 175.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.7 154.93 44.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.418 -0.586 . . . . 98.07 109.418 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.4 tt0 -98.54 106.6 18.9 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.346 -1.353 . . . . 46.84 107.346 172.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.497 HG13 ' HE1' ' E' ' 15' ' ' PHE . 56.0 t -104.03 116.25 47.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 107.992 -1.114 . . . . 57.34 107.992 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 47' ' ' ALA . 33.4 t -121.07 143.77 32.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 108.745 -0.835 . . . . 21.57 108.745 -175.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.6 112.63 15.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 106.514 -1.662 . . . . 62.33 106.514 171.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.833 ' HD3' ' HG3' ' B' ' 79' ' ' GLN . 10.9 ttp180 -85.61 133.68 34.04 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.203 -0.665 . . . . 95.32 109.203 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.69 104.68 17.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 125.024 1.33 . . . . 14.84 108.418 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.453 HG22 ' HG3' ' B' ' 77' ' ' GLU . 61.1 p -98.96 119.95 38.6 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.954 0.883 . . . . 28.15 109.705 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.597 HG21 HD11 ' E' ' 6' ' ' ILE . 43.1 t -124.23 97.55 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.851 1.26 . . . . 18.14 109.699 -168.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 90.5 m -88.88 133.73 34.19 Favored 'General case' 0 C--O 1.211 -0.94 0 N-CA-C 107.296 -1.372 . . . . 24.35 107.296 167.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.58 126.6 24.28 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.101 -0.703 . . . . 26.44 109.101 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.46 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.0 m -141.73 136.08 30.42 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.199 0.523 . . . . 56.64 111.229 -172.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 23.2 mt -93.97 101.69 13.75 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.705 -1.22 . . . . 62.67 107.705 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.01 -119.28 6.72 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.974 -0.557 . . . . 81.37 112.296 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 19.22 19.98 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.601 1.16 . . . . 99.99 110.96 -177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HZ1' ' B' ' 34' ' ' LYS . 12.5 tp10 -145.93 139.78 26.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.672 0.389 . . . . 99.99 110.131 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.07 135.53 57.28 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.048 0.842 . . . . 33.32 111.509 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.94 -65.43 1.02 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.339 -1.356 . . . . 25.99 107.339 172.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.51 166.97 27.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.374 -1.285 . . . . 18.76 110.318 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 76.0 mt -130.56 148.71 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.789 -1.56 . . . . 16.93 106.789 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.49 ' SG ' HG23 ' B' ' 114' ' ' ILE . 42.0 t -159.56 133.99 7.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.996 -0.742 . . . . 12.76 108.996 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' OG ' ' B' ' 22' ' ' SER . 40.9 tt0 -144.82 123.66 12.67 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.173 -0.677 . . . . 30.38 109.173 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.2 t -129.79 147.34 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.501 0.72 . . . . 8.91 110.903 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.833 ' HG3' ' HD3' ' B' ' 61' ' ' ARG . 40.7 mt-30 -113.36 109.68 19.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.873 0.869 . . . . 33.15 108.664 168.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.3 tp-100 -91.96 100.76 13.36 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 107.863 -1.162 . . . . 11.26 107.863 168.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 142.8 17.01 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.279 -0.873 . . . . 11.78 111.449 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.57 125.29 2.97 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.865 -0.894 . . . . 23.01 110.865 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.441 HG23 HD12 ' B' ' 51' ' ' LEU . 51.5 mt -85.55 127.77 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.917 -1.512 . . . . 39.34 106.917 171.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -136.75 139.03 41.56 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 123.816 0.846 . . . . 63.88 108.82 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.6 t -88.02 91.5 8.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.273 -1.38 . . . . 82.93 107.273 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 pt -136.93 116.51 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.179 0.992 . . . . 98.2 111.378 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.75 171.43 20.32 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.646 0.778 . . . . 99.99 110.388 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.53 -30.94 8.78 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-N 116.098 -0.501 . . . . 99.99 112.147 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.531 HD13 ' H ' ' B' ' 89' ' ' ILE . 0.2 OUTLIER -91.13 165.58 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.987 0.915 . . . . 99.99 111.688 176.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.17 147.45 3.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.24 1.016 . . . . 99.99 109.462 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.49 -105.88 0.74 Allowed Glycine 0 CA--C 1.539 1.542 0 N-CA-C 115.535 0.974 . . . . 99.99 115.535 170.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.6 m -72.61 -49.46 31.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.413 1.085 . . . . 99.99 112.22 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -69.01 -20.95 64.16 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.509 -0.314 . . . . 99.99 110.67 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.719 ' SD ' HG22 ' E' ' 18' ' ' VAL . 56.1 ttp -85.11 -27.43 26.26 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.199 0.6 . . . . 99.99 110.952 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.59 83.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.618 0.767 . . . . 99.99 112.065 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.597 ' HA ' ' HB3' ' B' ' 137' ' ' PHE . 31.7 t-80 -71.55 -37.03 71.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.425 0.69 . . . . 99.99 111.448 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.19 -42.12 96.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.786 0.835 . . . . 99.99 110.826 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 50.4 mt -82.53 -21.72 35.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.269 0.628 . . . . 71.23 110.916 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 -38.71 24.79 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 123.736 0.647 . . . . 59.87 113.896 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.3 -36.58 0.44 Allowed 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 117.275 0.538 . . . . 71.19 112.192 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -70.95 -64.34 0.92 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.093 0.957 . . . . 99.99 112.355 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 77.0 m -70.09 -46.66 22.11 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 118.226 -0.893 . . . . 50.37 113.369 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.29 -21.18 71.75 Favored 'Trans proline' 0 C--N 1.396 3.06 0 C-N-CA 122.064 1.843 . . . . 36.29 112.932 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.32 -32.75 68.79 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.07 0.948 . . . . 87.59 112.268 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.53 -43.8 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 123.435 0.694 . . . . 37.19 110.293 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.82 -13.19 59.97 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 13.07 111.922 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . 0.509 ' HB3' ' HD3' ' B' ' 108' ' ' PRO . 61.2 t80 -58.99 -55.82 42.53 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 125.003 1.321 . . . . 99.99 113.075 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' B' ' 107' ' ' PHE . 22.3 Cg_exo -65.51 -21.47 60.0 Favored 'Trans proline' 0 C--N 1.395 2.99 0 C-N-CA 121.884 1.723 . . . . 10.37 113.032 -176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . 0.425 ' HE2' HG21 ' D' ' 115' ' ' THR . 97.6 m-85 -80.01 -52.9 7.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.199 0.999 . . . . 12.29 111.347 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.08 -41.27 78.5 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 123.03 0.532 . . . . 8.75 110.142 173.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 20.8 ttt-85 -53.4 -58.4 7.25 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.843 1.339 . . . . 59.14 111.783 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.39 -29.49 68.19 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.756 0.66 . . . . 51.9 110.197 -171.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.664 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 3.3 t -68.73 -39.71 80.24 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.886 -0.597 . . . . 13.3 110.251 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.49 HG23 ' SG ' ' B' ' 76' ' ' CYS . 83.2 mt -67.7 -43.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.344 0.658 . . . . 9.86 110.779 171.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.3 m -61.52 -30.65 70.77 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.578 0.751 . . . . 13.13 110.617 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 37.7 t -70.74 -39.64 73.18 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.016 0.926 . . . . 8.02 109.882 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' B' ' 23' ' ' PHE . 36.3 mmt -64.81 -40.3 94.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.919 0.488 . . . . 26.78 110.925 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.25 -36.14 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.243 1.017 . . . . 13.3 110.387 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -38.19 87.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.367 1.067 . . . . 29.79 111.032 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.554 HH22 ' HG2' ' A' ' 112' ' ' GLU . 85.6 mtt-85 -77.56 -33.2 54.1 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.404 -0.816 . . . . 11.55 110.892 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.49 -6.05 88.01 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.48 0.488 . . . . 16.97 112.535 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 22.8 p 63.56 25.88 14.53 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.331 1.852 . . . . 23.15 112.86 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -76.69 162.46 70.45 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 123.982 0.913 . . . . 23.84 109.773 172.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.6 124.91 11.63 Favored 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 122.916 2.411 . . . . 29.89 112.308 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -56.97 122.79 13.12 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.922 0.764 . . . . 99.99 111.036 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' E' ' 6' ' ' ILE . 58.4 mt -117.31 110.31 17.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.654 0.782 . . . . 72.13 109.613 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -90.65 102.34 15.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.174 -1.417 . . . . 73.04 107.174 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.4 tt -58.42 114.09 2.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.297 1.039 . . . . 90.81 110.663 -172.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.09 145.29 83.23 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.491 1.116 . . . . 43.15 112.036 -170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 107' ' ' PHE . 53.8 Cg_endo -68.39 121.7 8.67 Favored 'Trans proline' 0 C--N 1.388 2.622 0 C-N-CA 122.674 2.249 . . . . 61.27 112.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' E' ' 8' ' ' LEU . 16.4 m -89.92 150.1 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.496 0.718 . . . . 99.57 110.882 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -109.02 82.87 1.66 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.629 0.772 . . . . 99.99 111.267 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -88.02 -5.61 58.41 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.062 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.76 -57.95 9.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.518 1.127 . . . . 99.99 112.776 -170.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -76.04 -33.35 59.62 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.42 0.688 . . . . 99.99 111.633 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.412 HD23 ' HG2' ' B' ' 151' ' ' GLU . 3.2 tm? -59.0 -55.83 30.15 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.108 0.963 . . . . 99.99 109.639 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.597 ' HB3' ' HA ' ' B' ' 96' ' ' HIS . 79.1 m-85 -78.69 -14.86 59.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.719 0.808 . . . . 99.99 112.364 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 44.0 ttm -67.09 -35.66 80.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.658 0.383 . . . . 99.99 110.022 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -76.71 -6.93 54.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.162 0.585 . . . . 99.99 112.341 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.75 -47.79 61.73 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.907 0.483 . . . . 99.99 110.781 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -94.18 -7.88 40.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.367 0.267 . . . . 99.99 110.954 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 55.37 -82.47 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.039 1.735 . . . . 99.99 111.362 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.82 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.31 1.444 . . . . 99.99 113.46 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.15 -29.11 17.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.853 0.861 . . . . 99.99 110.991 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.66 -78.33 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 O-C-N 123.846 0.716 . . . . 99.99 110.543 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.57 -57.23 4.17 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.096 0.248 . . . . 99.99 113.542 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' E' ' 212' ' ' SER . 39.2 tt0 -134.86 88.84 2.47 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.449 1.1 . . . . 99.99 108.719 -176.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.14 59.0 0.01 OUTLIER Glycine 0 C--O 1.24 0.522 0 N-CA-C 110.202 -1.159 . . . . 99.99 110.202 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 49.6 m -75.55 -76.68 0.14 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 122.863 0.465 . . . . 99.99 110.471 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 50.5 -91.28 0.02 OUTLIER 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.029 1.331 . . . . 99.99 111.866 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.412 ' HG2' HD23 ' B' ' 136' ' ' LEU . 2.9 tm-20 173.25 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.91 1.684 . . . . 99.99 106.573 -177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 18.9 t60 173.17 -55.34 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.039 1.736 . . . . 99.99 107.19 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -71.42 -45.82 61.71 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.919 -1.037 . . . . 99.99 110.172 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.4 153.29 43.79 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.089 -0.96 . . . . 99.99 111.814 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.416 0 C-N-CA 124.299 1.04 . . . . 99.99 109.918 -176.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmt . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 109.676 -0.49 . . . . 99.99 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 66.81 1.25 2.17 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.757 1.223 . . . . 99.99 112.402 -170.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.85 -54.63 5.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.374 1.07 . . . . 99.99 109.263 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.542 HE22 ' HB2' ' E' ' 147' ' ' HIS . 6.5 tp-100 -157.56 159.03 36.71 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.392 -1.276 . . . . 99.99 109.673 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 68.79 -79.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.338 1.455 . . . . 99.99 110.953 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 63.29 -71.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.189 1.396 . . . . 99.99 110.51 -173.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.471 ' HA ' ' CE1' ' C' ' 152' ' ' HIS . 15.2 t -80.03 28.08 0.3 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.092 1.357 . . . . 99.99 112.075 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 55.01 -154.23 0.3 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 124.356 1.062 . . . . 99.99 109.792 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 59.9 mtt 65.71 162.03 0.14 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.991 1.108 . . . . 99.99 113.991 163.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -128.7 113.65 15.63 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.14 -0.936 . . . . 99.99 108.835 167.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.44 ' H ' ' HB ' ' E' ' 146' ' ' ILE . 30.7 t80 -126.22 119.76 28.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.735 -1.58 . . . . 99.99 106.735 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -158.69 143.89 16.29 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 118.393 0.542 . . . . 99.99 112.27 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.2 122.57 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.214 -1.032 . . . . 56.3 108.214 164.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -85.46 -49.71 7.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.019 0.372 . . . . 93.16 110.76 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -171.26 159.9 6.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.669 0.606 . . . . 99.99 110.91 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.91 151.52 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.759 1.223 . . . . 11.74 108.177 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.423 ' HE1' HG12 ' C' ' 83' ' ' ILE . 20.7 p90 -174.95 166.02 3.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.414 0.626 . . . . 19.28 111.419 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.483 HG22 ' NE2' ' C' ' 80' ' ' GLN . 81.8 p -91.56 114.6 27.18 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.467 -0.788 . . . . 6.91 109.788 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' D' ' 28' ' ' ALA . 7.7 mmmt -79.36 -48.1 14.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.739 -0.837 . . . . 21.95 108.739 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 4.6 t70 -133.58 138.21 45.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.975 -1.011 . . . . 50.62 109.418 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -134.87 144.84 33.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.549 -1.649 . . . . 5.12 106.549 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 48.3 t -156.8 151.35 25.55 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.448 0.642 . . . . 9.28 111.067 -173.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 86.5 t80 -156.61 121.47 4.58 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 107.208 -1.404 . . . . 8.82 107.208 175.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 49.4 mt-10 -123.53 113.88 19.32 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.689 -0.485 . . . . 30.58 109.689 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -139.86 73.47 33.62 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.297 -0.631 . . . . 12.04 109.297 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.76 -15.42 37.06 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.267 1.978 . . . . 30.41 110.843 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.475 ' O ' HG23 ' C' ' 31' ' ' VAL . 2.7 m-20 -102.99 11.55 37.19 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.908 1.283 . . . . 61.38 110.564 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -56.71 -46.81 99.8 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 114.749 1.388 . . . . 26.66 114.749 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' D' ' 51' ' ' LEU . 16.7 Cg_exo -69.38 -34.9 14.85 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 121.784 1.656 . . . . 35.22 111.937 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -66.21 -28.72 68.96 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.108 -1.405 . . . . 48.75 111.574 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.547 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 53.1 t -57.84 -34.94 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.576 0.75 . . . . 55.24 111.936 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.15 -31.22 72.32 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 112.962 0.727 . . . . 99.99 112.962 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.28 18.96 18.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.253 0.621 . . . . 97.11 110.695 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 27.6 ttpt -112.82 162.19 16.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.985 0.914 . . . . 88.6 110.382 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.26 114.77 2.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.669 1.188 . . . . 99.99 110.132 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -81.03 62.61 5.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 99.99 110.383 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.27 80.97 1.57 Allowed Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 108.694 -0.854 . . . . 99.99 108.694 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 58.8 Cg_endo -93.04 164.12 2.57 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 123.025 2.483 . . . . 68.93 112.29 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.76 101.91 13.76 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.722 -0.844 . . . . 99.99 108.722 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.475 HG11 ' HB ' ' E' ' 296' ' ' THR . 7.2 m -84.44 101.48 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.12 -0.945 . . . . 87.15 110.357 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -101.62 127.87 48.16 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.43 0.692 . . . . 99.99 109.486 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 tp -85.8 122.11 29.41 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.209 -1.404 . . . . 94.05 107.209 174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.0 104.77 7.97 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.62 158.95 15.44 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.274 0.63 . . . . 71.87 110.486 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 5.1 t70 -144.78 141.89 29.56 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.158 0.983 . . . . 92.17 109.03 175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -112.43 136.0 52.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.488 0.715 . . . . 62.96 110.4 -174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -147.49 151.35 36.23 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.773 0.829 . . . . 35.73 109.325 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 62.4 p -156.42 156.66 34.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.4 0.68 . . . . 56.22 109.8 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -158.91 145.42 16.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.603 0.761 . . . . 43.42 109.661 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -81.13 135.62 35.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.582 HD11 HD12 ' C' ' 83' ' ' ILE . 64.8 mt -111.11 -60.36 1.84 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.288 0.566 . . . . 61.44 110.198 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.19 -173.94 3.67 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.306 -0.861 . . . . 94.06 110.06 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.58 119.51 11.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.901 -1.045 . . . . 99.99 109.174 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 72.23 -1.51 2.89 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.444 1.498 . . . . 99.99 112.295 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.641 HG21 ' HD3' ' E' ' 152' ' ' PRO . 41.5 t -116.66 121.62 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.234 0.613 . . . . 81.86 109.63 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -133.21 142.47 48.6 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.559 ' HB2' HD11 ' C' ' 51' ' ' LEU . 42.9 tt0 -83.7 141.65 31.31 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.933 0.893 . . . . 35.21 110.334 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.463 HG11 HD21 ' C' ' 98' ' ' LEU . 82.3 t -123.62 131.37 73.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 123.832 0.853 . . . . 29.6 109.013 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 50.9 t -121.92 131.94 72.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 124.325 1.05 . . . . 20.9 108.36 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' C' ' 106' ' ' LEU . 3.0 tm? -128.59 111.25 13.02 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.056 -1.831 . . . . 69.19 106.056 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.765 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 8.1 ttm180 -83.36 121.11 26.72 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.392 1.077 . . . . 99.99 109.722 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.72 104.86 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.542 -1.281 . . . . 14.53 107.542 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 25.3 m -108.32 124.35 50.2 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.376 -0.972 . . . . 20.42 108.376 176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.43 109.92 30.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 108.447 -0.945 . . . . 17.7 108.447 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.8 m -98.75 136.26 39.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.512 -0.551 . . . . 29.53 109.512 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.91 103.5 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.517 -1.29 . . . . 32.22 107.517 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.4 p -147.44 133.32 19.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.038 0.535 . . . . 59.66 109.644 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' C' ' 38' ' ' PRO . 1.4 pp -102.75 36.4 2.21 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.586 0.754 . . . . 97.29 110.39 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.32 -121.52 2.58 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.895 -1.048 . . . . 76.35 111.091 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -88.62 -19.03 26.79 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.389 0.676 . . . . 99.99 109.641 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -87.62 112.48 22.35 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.89 0.876 . . . . 77.02 109.317 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -89.14 139.29 30.62 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.772 -0.649 . . . . 37.0 110.938 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.08 -66.05 0.87 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.65 0.78 . . . . 34.06 109.063 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -163.45 177.33 8.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.578 0.704 . . . . 39.96 110.906 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.4 tm? -133.35 143.07 48.74 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.524 -1.658 . . . . 16.54 106.524 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 46.6 t -146.92 129.67 16.13 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.251 -1.018 . . . . 10.97 108.251 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.432 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 34.1 tt0 -142.9 135.87 28.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.304 0.642 . . . . 36.61 109.992 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 88.8 t -137.36 116.26 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.272 0.629 . . . . 9.25 109.57 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 53.2 mt-30 -86.59 89.04 7.78 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 107.455 -1.313 . . . . 25.23 107.455 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.483 ' NE2' HG22 ' C' ' 18' ' ' THR . 6.6 tp-100 -79.75 121.14 24.97 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.837 -1.074 . . . . 10.64 108.641 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.31 149.26 19.32 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 111.292 -0.723 . . . . 10.6 111.292 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.82 115.72 0.96 Allowed Glycine 0 CA--C 1.507 -0.41 0 N-CA-C 110.211 -1.156 . . . . 19.17 110.211 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.582 HD12 HD11 ' C' ' 51' ' ' LEU . 19.2 mm -82.97 125.68 40.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.852 -0.796 . . . . 30.38 108.852 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' C' ' 102' ' ' CYS . 36.6 m-85 -132.64 136.01 46.22 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.343 -0.614 . . . . 49.62 109.343 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t -105.55 96.41 6.49 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.681 -0.859 . . . . 92.15 108.681 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -138.17 138.35 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.618 ' HA ' HD21 ' E' ' 277' ' ' LEU . . . -155.61 -32.66 0.09 Allowed 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 113.91 1.078 . . . . 99.99 113.91 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.87 -48.16 22.4 Favored Glycine 0 N--CA 1.471 1.002 0 N-CA-C 114.524 0.57 . . . . 99.99 114.524 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' C' ' 94' ' ' MET . 2.3 pp -57.43 153.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.527 0.731 . . . . 99.99 112.668 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -161.09 158.66 28.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.162 0.585 . . . . 99.99 111.708 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' C' ' 94' ' ' MET . . . 74.74 -119.68 6.12 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.781 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 79.4 p -78.84 -25.73 44.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.076 0.55 . . . . 99.99 111.065 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.17 -53.27 60.14 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.144 0.902 . . . . 99.99 109.397 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' C' ' 91' ' ' GLY . 4.8 ptm -68.64 -33.55 74.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.438 -1.255 . . . . 99.99 110.762 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.87 78.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.719 0.808 . . . . 99.99 111.694 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.87 -29.09 25.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.594 0.758 . . . . 99.99 110.897 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 88.4 m -68.87 -41.29 78.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.933 0.493 . . . . 99.99 111.205 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' E' ' 281' ' ' PHE . 1.2 tt -92.83 -45.45 7.99 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.804 -0.443 . . . . 99.99 109.804 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.32 -20.19 79.13 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 114.656 0.623 . . . . 68.51 114.656 -170.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -119.67 -56.29 2.05 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 117.36 0.58 . . . . 56.52 111.503 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -67.73 -54.57 18.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.74 -0.663 . . . . 99.99 111.299 -172.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.428 ' SG ' HG11 ' C' ' 58' ' ' VAL . 7.0 t -55.64 -53.16 65.64 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 117.585 -1.198 . . . . 56.59 113.832 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.1 -22.21 35.45 Favored 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 121.936 1.727 . . . . 39.21 112.439 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -70.84 -39.15 73.15 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.118 0.567 . . . . 71.72 110.602 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 130' ' ' PRO . 26.4 mm -74.83 -40.48 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.858 0.863 . . . . 8.71 110.875 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' C' ' 60' ' ' LEU . 8.9 tt -74.39 -32.31 62.67 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.045 -0.98 . . . . 37.06 110.517 -173.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -53.33 -56.99 18.72 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 117.198 -1.382 . . . . 16.74 114.155 -174.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . 0.458 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 14.2 Cg_endo -54.86 -36.54 91.71 Favored 'Trans proline' 0 C--N 1.391 2.794 0 C-N-CA 122.549 2.166 . . . . 9.85 113.877 -173.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -69.85 -43.64 71.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.919 0.39 . . . . 5.88 110.963 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.72 85.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.646 -0.706 . . . . 7.64 110.519 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -62.19 -45.36 93.72 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.314 1.446 . . . . 20.64 111.08 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.515 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.5 OUTLIER -70.37 -37.46 74.57 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.842 0.713 . . . . 38.86 110.22 -178.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' C' ' 18' ' ' THR . 56.2 m -63.4 -36.66 84.47 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.525 0.516 . . . . 13.9 111.697 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.522 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 64.9 mt -69.68 -47.01 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.529 0.731 . . . . 8.58 110.27 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -69.03 -30.45 68.83 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.057 0.543 . . . . 8.54 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 39.7 t -67.06 -40.94 87.16 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.925 -0.769 . . . . 6.56 108.925 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.531 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.39 -29.49 69.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.677 0.791 . . . . 5.22 111.668 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 114' ' ' ILE . 79.6 t -69.61 -41.24 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.764 0.425 . . . . 28.53 110.229 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 97.6 p -75.05 -30.24 60.96 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 122.864 0.465 . . . . 17.6 111.434 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -70.84 -42.57 69.98 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.912 0.885 . . . . 7.72 109.477 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.18 -4.5 68.48 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.824 0.703 . . . . 10.8 113.08 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p 54.52 56.66 6.57 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.187 1.795 . . . . 15.17 111.762 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -115.86 165.34 14.87 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 113.234 -1.803 . . . . 24.81 109.351 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.35 116.49 2.87 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.477 2.785 . . . . 29.42 113.526 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.96 112.86 2.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.092 0.957 . . . . 72.03 112.352 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.584 HD13 ' HA ' ' E' ' 296' ' ' THR . 8.3 tt -131.82 119.2 20.91 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.228 -1.397 . . . . 59.85 107.228 172.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -89.51 131.21 35.65 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 107.749 -1.204 . . . . 41.85 107.749 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.25 135.58 44.16 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.602 0.761 . . . . 38.57 111.08 -170.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -58.47 138.74 85.45 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 124.85 1.26 . . . . 24.62 112.946 -170.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 31.9 Cg_exo -60.64 95.86 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.443 2.762 . . . . 24.48 112.936 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.1 p -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 121.638 0.732 . . . . 68.05 110.519 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.4 81.98 1.87 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.258 1.023 . . . . 99.99 111.14 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.72 -41.97 97.98 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.321 -0.854 . . . . 99.99 110.757 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.733 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 36.2 t70 -61.39 -44.55 96.96 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 114.839 -1.073 . . . . 99.99 111.862 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.97 -22.85 66.0 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.28 -59.56 2.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.604 0.762 . . . . 99.99 109.105 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 62.4 m-85 -73.47 -14.09 61.18 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.755 0.822 . . . . 99.99 112.472 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -62.51 -42.6 99.61 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 99.99 110.544 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.25 -36.41 70.93 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.916 0.76 . . . . 99.99 110.95 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.66 -146.09 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 124.031 0.932 . . . . 99.99 110.14 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp 68.28 177.87 0.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.405 1.082 . . . . 99.99 110.916 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 72.13 109.41 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.133 1.373 . . . . 99.99 111.266 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -111.19 -61.79 1.64 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.91 0.862 . . . . 99.99 109.459 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -64.21 -18.02 64.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.906 1.682 . . . . 99.99 113.065 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.48 -67.64 0.26 Allowed 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.682 1.593 . . . . 99.99 110.639 -175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.2 -87.06 0.5 Allowed Glycine 0 C--N 1.344 0.988 0 N-CA-C 110.763 -0.935 . . . . 99.99 110.763 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 63.76 11.11 5.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.176 1.39 . . . . 99.99 111.805 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 58.92 -107.63 1.26 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.6 m 73.4 -41.74 0.5 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 126.091 1.756 . . . . 99.99 113.614 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -51.29 -43.52 61.64 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.288 1.435 . . . . 99.99 112.97 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.36 -37.41 86.93 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.038 0.836 . . . . 99.99 111.403 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' C' ' 7' ' ' THR . 68.1 m80 55.76 21.61 4.85 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.084 0.953 . . . . 99.99 112.55 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 69.05 -58.32 0.5 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.834 1.653 . . . . 99.99 111.868 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 65.24 80.2 0.23 Allowed 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.657 1.583 . . . . 99.99 111.976 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 N-CA-C 108.316 -0.994 . . . . 99.99 108.316 170.584 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.427 0.156 . . . . 99.99 110.673 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.22 158.45 34.07 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.213 0.605 . . . . 99.99 110.177 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -83.63 -47.52 11.17 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -81.12 163.04 23.42 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.648 -0.706 . . . . 99.99 109.432 173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -63.7 -37.49 87.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.753 0.421 . . . . 99.99 110.603 170.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . 0.405 HD22 ' N ' ' D' ' 6' ' ' ASN . 0.8 OUTLIER -101.3 -159.55 0.74 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.271 1.029 . . . . 99.99 109.2 174.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -121.67 -72.38 0.69 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.154 0.581 . . . . 99.99 111.195 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 66.88 152.99 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 125.016 1.326 . . . . 99.99 112.306 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.434 ' SD ' HG13 ' D' ' 89' ' ' ILE . 13.4 tpt -36.93 122.53 0.83 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.607 -0.724 . . . . 99.99 112.077 166.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p -116.7 118.76 33.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -132.38 101.58 5.4 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.165 -1.42 . . . . 76.43 107.165 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -139.17 157.71 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.56 HG21 HG23 ' D' ' 16' ' ' ILE . 10.9 mt -96.88 111.42 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 108.185 -1.043 . . . . 41.34 108.185 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . 0.438 ' HA ' HG21 ' E' ' 306' ' ' VAL . 86.2 mm-40 -82.37 -30.86 30.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.022 0.929 . . . . 79.46 111.985 -170.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -162.24 118.92 2.03 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.366 -0.605 . . . . 99.99 109.366 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.56 HG23 HG21 ' D' ' 13' ' ' ILE . 0.0 OUTLIER -110.49 123.25 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 107.34 -1.356 . . . . 53.22 107.34 171.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -157.68 156.07 31.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.903 0.859 . . . . 19.87 112.372 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -84.23 116.96 23.22 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.312 -1.313 . . . . 8.43 108.525 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -87.49 -17.38 32.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.957 0.503 . . . . 36.9 110.227 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.647 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 11.3 t70 -161.67 145.19 12.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.029 0.932 . . . . 36.68 109.656 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.531 HD13 ' HE3' ' C' ' 117' ' ' MET . 81.4 mt -148.05 146.65 17.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 125.735 1.614 . . . . 4.02 108.186 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 43.7 t -154.63 144.99 22.06 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.427 1.091 . . . . 7.64 108.999 173.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 93.4 t80 -152.87 125.88 8.49 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 105.743 -1.947 . . . . 5.08 105.743 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -133.2 117.65 17.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.566 0.621 . . . . 28.73 110.214 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -131.51 77.92 72.43 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 108.681 -0.859 . . . . 7.19 108.681 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.54 -34.87 14.39 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.432 2.088 . . . . 13.41 111.194 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -98.12 16.98 19.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 11.97 110.322 -173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' C' ' 19' ' ' LYS . . . -50.15 -59.14 7.61 Favored Pre-proline 0 CA--C 1.564 1.486 0 N-CA-C 114.762 1.393 . . . . 12.01 114.762 -166.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -73.83 -15.41 23.89 Favored 'Trans proline' 0 C--N 1.386 2.524 0 CA-C-N 121.655 1.627 . . . . 20.55 112.414 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -76.87 -50.71 12.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.165 1.386 . . . . 22.26 109.999 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.14 -4.75 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.529 0 CA-C-N 115.719 -0.673 . . . . 34.6 112.489 -169.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.85 -21.42 66.79 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 123.031 0.532 . . . . 32.96 112.239 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.95 -22.8 66.51 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.595 0.758 . . . . 99.99 110.948 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -90.87 85.15 5.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.87 0.868 . . . . 31.63 110.183 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.48 82.95 6.85 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.971 0.891 . . . . 99.99 110.776 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -155.37 179.92 8.7 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.799 0.84 . . . . 49.29 109.173 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.19 115.81 35.8 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 123.191 0.596 . . . . 99.99 109.782 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.93 135.98 58.69 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.414 2.076 . . . . 31.29 110.242 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.79 111.35 4.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.845 -1.168 . . . . 99.99 107.845 174.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 84.5 t -106.64 120.29 57.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.537 0.735 . . . . 52.79 109.701 -173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 60.2 tttt -89.44 124.74 34.75 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 168.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.56 HD11 HD22 ' D' ' 128' ' ' LEU . 3.8 mm? -97.1 112.64 24.33 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.864 -1.161 . . . . 74.77 107.864 172.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.76 113.48 19.75 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.869 -1.53 . . . . 99.99 106.869 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.606 ' HB2' HD22 ' E' ' 111' ' ' LEU . 9.2 mp -115.92 155.6 27.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.959 0.885 . . . . 66.01 111.058 -173.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -147.81 156.84 43.15 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 126.029 1.732 . . . . 79.72 108.196 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 20.5 p -135.81 143.47 45.2 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.472 0.653 . . . . 77.52 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.02 161.72 41.36 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.297 1.439 . . . . 38.8 107.73 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.453 ' HB2' ' CE2' ' D' ' 56' ' ' TYR . 61.6 p -168.02 169.26 11.36 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.51 0.324 . . . . 48.36 111.353 -172.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 67.6 p -167.79 145.71 4.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.921 0.488 . . . . 52.73 110.774 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -82.88 121.82 27.44 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.393 -0.965 . . . . 99.71 108.393 167.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' C' ' 29' ' ' PRO . 0.8 OUTLIER -138.53 23.97 2.69 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.56 1.144 . . . . 82.32 109.142 -176.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.15 159.89 7.69 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.287 -0.87 . . . . 96.95 111.439 -167.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -94.22 120.37 34.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.609 0.764 . . . . 99.99 109.433 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.526 ' HA ' HG21 ' E' ' 97' ' ' ILE . 9.3 m-20 64.11 16.08 9.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.08 1.352 . . . . 99.99 111.467 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.4 t -138.86 135.4 42.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 107.458 -1.312 . . . . 82.8 107.458 -175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' D' ' 48' ' ' SER . 32.1 t80 -137.0 142.12 42.54 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -97.14 127.89 43.54 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.158 0.583 . . . . 55.89 110.319 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' D' ' 103' ' ' PRO . 54.0 t -107.19 127.96 62.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 107.875 -1.157 . . . . 44.56 107.875 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 36.0 t -114.76 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 109.171 -0.677 . . . . 19.48 109.171 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -94.75 109.32 21.29 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.329 0.652 . . . . 52.2 109.689 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -84.92 103.71 14.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.967 0.907 . . . . 99.99 108.841 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.52 132.46 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.914 -0.773 . . . . 9.25 108.914 171.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 33.3 m -127.52 141.48 51.64 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.403 0.621 . . . . 10.79 109.336 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 52.4 t -133.12 106.82 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.569 1.548 . . . . 9.72 108.103 -172.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 25.8 m -106.9 92.61 4.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.73 -0.841 . . . . 19.36 108.73 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.53 133.74 43.42 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.624 0.77 . . . . 11.33 110.546 -175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 53.3 m -141.68 131.46 24.26 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.434 0.694 . . . . 29.87 110.755 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.86 104.29 16.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.454 1.101 . . . . 24.97 108.439 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.85 -136.82 20.52 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-O 119.733 -0.482 . . . . 27.84 113.363 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.45 3.6 31.36 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 117.375 0.587 . . . . 76.3 111.645 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.44 145.5 51.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.927 0.891 . . . . 81.89 110.125 -166.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -64.84 134.66 54.55 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.47 1.108 . . . . 11.35 111.328 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.475 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -92.22 -70.8 0.67 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.133 -1.062 . . . . 10.67 108.133 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -156.21 141.86 17.81 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.706 -0.679 . . . . 7.73 111.353 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -112.63 109.52 19.11 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.458 -1.312 . . . . 11.05 107.458 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.561 ' SG ' HG23 ' D' ' 114' ' ' ILE . 21.7 t -122.73 138.9 54.48 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 12.97 109.882 -173.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -155.59 122.3 5.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.49 0.716 . . . . 47.96 110.378 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.98 126.13 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.059 0.544 . . . . 5.05 110.379 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.6 mt-30 -89.1 94.75 10.04 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.711 -0.848 . . . . 21.68 108.711 166.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -85.23 100.64 11.91 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.439 -0.948 . . . . 8.01 108.439 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.95 146.25 18.05 Favored Glycine 0 C--N 1.34 0.782 0 N-CA-C 111.494 -0.642 . . . . 11.29 111.494 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.24 130.58 4.51 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.461 -0.656 . . . . 22.6 111.461 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -92.85 100.75 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.006 1.323 . . . . 43.57 108.002 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -103.69 131.49 50.8 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.889 0.876 . . . . 45.01 109.936 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.446 ' HA ' HG22 ' D' ' 55' ' ' VAL . 77.6 p -89.91 134.63 34.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.269 0.628 . . . . 77.58 111.083 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -146.61 100.96 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.389 1.075 . . . . 88.57 108.738 178.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.73 131.88 38.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.453 -0.779 . . . . 99.99 109.959 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.37 18.22 9.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.425 0.453 . . . . 99.99 113.08 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -138.92 155.8 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.869 1.268 . . . . 99.99 109.529 176.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -130.65 172.22 12.19 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.363 0.665 . . . . 99.99 110.012 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' HE2' ' D' ' 152' ' ' HIS . . . 78.77 -142.33 25.46 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 115.707 1.043 . . . . 99.99 115.707 167.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 p -90.4 -19.65 23.7 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.753 . . . . 99.99 110.385 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -70.27 -31.6 69.04 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.562 1.145 . . . . 99.99 110.108 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.523 ' HB2' HD13 ' D' ' 89' ' ' ILE . 15.4 ptt? -64.37 -44.75 90.39 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.919 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.15 -11.66 51.98 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.466 1.106 . . . . 88.9 111.948 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -55.52 -40.44 71.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.189 0.596 . . . . 99.99 110.924 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 49.1 m -55.48 -43.92 76.02 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.672 0.607 . . . . 95.17 110.636 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.452 HD21 HD12 ' D' ' 86' ' ' ILE . 29.7 mt -73.14 -32.38 64.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.878 1.271 . . . . 99.99 111.438 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.14 18.95 56.52 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.252 -0.885 . . . . 66.02 113.534 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.14 -68.25 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 117.852 0.826 . . . . 54.11 111.621 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -74.28 -41.07 61.82 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.481 0.712 . . . . 40.76 111.562 -171.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 84.7 m -62.36 -49.38 84.16 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 117.837 -1.077 . . . . 34.31 113.472 -175.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.591 ' HG3' HG11 ' D' ' 58' ' ' VAL . 23.7 Cg_exo -64.12 -30.73 65.48 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 122.017 1.811 . . . . 28.69 112.208 176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -66.52 -38.1 86.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.563 0.745 . . . . 61.29 110.339 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.442 ' O ' ' HD2' ' D' ' 108' ' ' PRO . 38.0 mm -64.33 -40.85 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.145 0.578 . . . . 19.65 110.496 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.26 -23.79 62.96 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.685 0.616 . . . . 13.09 112.355 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.51 -47.81 67.43 Favored Pre-proline 0 CA--C 1.56 1.341 0 CA-C-O 117.756 -1.116 . . . . 10.47 113.362 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 53.1 Cg_exo -57.04 -23.51 52.71 Favored 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.057 1.838 . . . . 6.22 113.921 172.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.51 -33.87 20.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.533 0.733 . . . . 10.48 111.743 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.16 73.85 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.757 -0.831 . . . . 4.16 108.757 170.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -57.94 -45.48 86.53 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.007 -1.451 . . . . 10.22 111.231 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.02 -52.57 65.19 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 124.169 0.918 . . . . 32.24 109.935 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.14 -42.59 81.26 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.274 0.984 . . . . 3.39 110.886 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.561 HG23 ' SG ' ' D' ' 76' ' ' CYS . 86.5 mt -62.34 -52.37 60.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.013 0.925 . . . . 5.37 110.641 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . 0.425 HG21 ' HE2' ' B' ' 109' ' ' TYR . 62.7 m -58.14 -43.94 87.56 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.81 0.844 . . . . 7.06 111.301 -173.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -61.57 -40.36 94.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.92 -1.036 . . . . 6.71 109.72 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -71.57 -33.63 69.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.15 0.58 . . . . 5.08 111.958 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.472 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.1 t -65.34 -44.08 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.348 0.659 . . . . 5.65 110.119 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.7 p -72.51 -35.85 68.21 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.567 -0.742 . . . . 10.21 110.414 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -65.36 -31.81 73.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.437 0.695 . . . . 6.99 110.025 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 -5.84 86.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.483 -0.78 . . . . 7.43 113.27 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.8 m 66.99 33.29 5.83 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.838 1.255 . . . . 18.26 111.081 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -98.39 165.89 14.34 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.847 0.859 . . . . 10.7 110.185 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.38 114.54 1.6 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.306 2.004 . . . . 20.06 111.241 167.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 51.0 tt0 -50.95 121.44 6.03 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.388 1.055 . . . . 16.85 110.964 -176.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.9 tp -105.5 133.34 50.4 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.246 0.619 . . . . 14.84 110.553 -165.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -125.44 116.43 21.82 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.812 -1.181 . . . . 76.73 107.812 173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.56 HD22 HD11 ' D' ' 42' ' ' LEU . 64.4 mt -73.88 145.67 44.66 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.697 0.799 . . . . 20.32 110.409 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.36 123.04 89.07 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.033 0.533 . . . . 28.37 110.17 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.64 123.8 11.19 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.559 2.172 . . . . 32.68 112.08 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.79 130.58 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.143 0.977 . . . . 69.78 109.764 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -81.59 101.79 10.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.123 0.569 . . . . 99.99 109.883 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -65.94 -15.67 63.18 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.328 1.051 . . . . 99.99 112.11 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.17 -53.17 17.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.846 1.259 . . . . 99.99 110.464 168.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.91 63.7 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.273 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.94 -48.99 10.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.98 0.512 . . . . 99.99 110.604 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.477 ' HD2' ' HB2' ' E' ' 109' ' ' TYR . 22.2 m-85 -84.85 -43.16 14.4 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 -171.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' D' ' 141' ' ' LEU . 58.9 mtm -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 112.89 0.7 . . . . 99.99 112.89 -172.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -69.6 -24.3 63.65 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.526 0.516 . . . . 99.99 110.529 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -89.07 -47.32 8.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.073 0.549 . . . . 99.99 110.293 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' D' ' 138' ' ' MET . 87.5 mt -49.46 -26.86 3.65 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 125.139 1.375 . . . . 99.99 113.683 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -73.41 45.4 0.17 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 124.499 1.119 . . . . 99.99 112.262 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.36 95.02 4.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.44 1.096 . . . . 99.99 108.692 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -142.26 -45.52 0.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.445 -0.798 . . . . 99.99 109.776 -173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.61 -83.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.111 1.364 . . . . 99.99 112.266 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . 0.461 ' HA2' ' HG2' ' D' ' 150' ' ' GLU . . . -177.7 -135.46 2.25 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 112.218 -0.353 . . . . 99.99 112.218 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 69.06 -87.3 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.216 1.406 . . . . 99.99 111.323 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -125.76 -10.08 4.55 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 112.061 -0.415 . . . . 99.99 112.061 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.9 m -78.59 -12.85 60.04 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.606 0.762 . . . . 99.99 110.975 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . 0.461 ' HG2' ' HA2' ' D' ' 146' ' ' GLY . 22.1 mm-40 -75.04 -3.15 30.83 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.6 0.76 . . . . 99.99 111.911 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.98 -56.06 26.36 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.272 0.629 . . . . 99.99 109.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . 0.467 ' HE2' ' HA3' ' D' ' 91' ' ' GLY . 16.3 t-160 57.7 41.22 25.64 Favored 'General case' 0 CA--C 1.561 1.393 0 O-C-N 124.302 1.001 . . . . 99.99 110.676 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.12 -61.82 2.21 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.069 0.948 . . . . 99.99 110.654 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -130.87 -6.36 4.0 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.616 1.166 . . . . 99.99 109.396 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 124.459 1.104 . . . . 99.99 108.466 -178.702 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.39 139.15 51.83 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.141 -1.059 . . . . 99.99 108.141 166.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.574 ' NE2' ' HG ' ' B' ' 42' ' ' LEU . 25.1 tt0 -66.57 -43.13 85.85 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.384 0.428 . . . . 99.99 110.406 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 25.2 m 69.05 -82.7 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 O-C-N 124.844 1.34 . . . . 99.99 110.823 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 94.3 m -86.57 131.06 34.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.253 0.549 . . . . 99.99 110.611 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.597 HD11 HG21 ' B' ' 64' ' ' VAL . 6.4 tt -64.49 153.35 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 C-N-CA 125.408 1.483 . . . . 99.99 111.242 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -165.41 -147.24 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 124.794 1.238 . . . . 99.99 109.526 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.473 ' HB2' HG21 ' B' ' 131' ' ' VAL . 22.4 mt -127.61 158.66 36.92 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 123.998 0.919 . . . . 99.99 111.576 173.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.87 166.7 10.29 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.209 1.004 . . . . 99.99 109.808 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.76 148.45 34.26 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.801 0.841 . . . . 99.99 112.194 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.533 ' HA ' HD11 ' B' ' 44' ' ' LEU . 3.0 mm? -62.77 143.73 96.76 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.327 1.051 . . . . 99.99 109.932 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' E' ' 11' ' ' LEU . 5.8 Cg_exo -80.05 42.5 1.33 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.261 2.641 . . . . 99.99 112.133 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 55.57 79.6 0.16 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.319 1.448 . . . . 99.99 111.079 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp 66.65 178.57 0.22 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.659 1.184 . . . . 99.99 110.578 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.497 ' HE1' HG13 ' B' ' 58' ' ' VAL . 3.1 p90 -156.3 27.0 0.35 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 112.787 0.662 . . . . 99.99 112.787 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.681 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . 6.6 m 52.53 67.24 4.1 Favored Pre-proline 0 CA--C 1.565 1.519 0 C-N-CA 124.892 1.277 . . . . 99.99 112.448 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -94.87 -72.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.279 2.653 . . . . 99.99 113.473 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' B' ' 94' ' ' MET . 2.8 m -102.66 108.15 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 N-CA-C 108.997 -0.742 . . . . 99.99 108.997 -175.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m 61.01 -80.68 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 125.093 1.357 . . . . 99.99 113.345 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -121.95 136.02 54.9 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.525 1.13 . . . . 99.99 110.733 -170.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' E' ' 16' ' ' THR . . . -170.47 -6.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.209 1.004 . . . . 99.99 110.859 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -113.41 129.12 56.62 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.623 0.769 . . . . 99.99 110.326 -172.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 37.8 p -95.01 158.67 34.55 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.791 1.236 . . . . 99.99 109.781 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -48.2 169.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.524 2.816 . . . . 99.99 114.477 169.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.97 27.69 0.18 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.233 1.013 . . . . 99.99 112.906 -174.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 64.1 mtt 60.96 82.85 0.22 Allowed Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.959 1.304 . . . . 99.99 111.946 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.37 79.4 3.32 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.924 2.416 . . . . 99.99 109.988 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 5.5 m 52.54 14.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 C-N-CA 126.802 2.041 . . . . 99.99 113.574 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.26 114.69 26.5 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 76.18 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.561 1.544 . . . . 99.99 112.177 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 13.6 m120 66.99 20.05 10.5 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.371 1.068 . . . . 99.99 112.153 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.63 58.77 3.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.541 1.136 . . . . 99.99 109.336 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.92 -161.51 0.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.208 -0.906 . . . . 99.99 111.21 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . . . 76.95 86.03 0.08 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 125.16 1.384 . . . . 99.99 110.234 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.1 -43.97 77.27 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.999 0.92 . . . . 99.99 111.035 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.81 43.3 0.02 OUTLIER Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.629 -0.714 . . . . 99.99 111.523 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . 0.524 ' HB3' ' HB2' ' E' ' 206' ' ' GLU . 3.4 m-20 -64.11 95.45 0.12 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.904 0.882 . . . . 99.99 109.377 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 pt -75.87 -0.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.795 0.838 . . . . 99.99 113.016 -173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 28.1 m 67.11 91.12 0.09 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.852 1.261 . . . . 99.99 109.578 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' E' ' 205' ' ' LEU . . . -55.1 127.86 64.31 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.144 0.978 . . . . 99.99 111.336 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -47.05 -30.48 10.13 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 124.596 3.53 . . . . 99.99 116.345 -168.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.17 -60.75 4.45 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.634 -0.586 . . . . 99.99 111.634 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -129.8 0.62 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.21 -0.756 . . . . 99.99 111.21 168.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -168.04 35.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.096 0.559 . . . . 99.99 110.465 -178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.35 148.89 0.09 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.744 1.218 . . . . 99.99 110.205 -171.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . 0.605 ' HG2' ' H ' ' E' ' 47' ' ' LEU . 21.5 ttt180 66.34 -170.67 0.19 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.276 1.03 . . . . 99.99 110.139 -176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.605 ' H ' ' HG2' ' E' ' 46' ' ' ARG . 2.5 tm? 72.09 -76.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.185 1.394 . . . . 99.99 109.63 175.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 21.1 p -71.63 -32.85 68.4 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.915 0.886 . . . . 99.99 109.863 170.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.458 ' HA2' ' NZ ' ' E' ' 62' ' ' LYS . . . -108.23 65.89 0.24 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.325 -0.852 . . . . 99.99 111.58 174.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' E' ' 47' ' ' LEU . 24.3 t0 -147.19 143.68 28.38 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.253 0.549 . . . . 99.99 111.891 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.08 -45.25 8.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.354 1.062 . . . . 99.99 110.867 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 69.0 p -67.54 -16.07 64.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.464 0.706 . . . . 99.99 112.483 -171.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.02 72.6 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.074 0.95 . . . . 99.99 110.698 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.25 -74.7 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.692 0.797 . . . . 99.99 109.964 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 tp -166.05 136.43 3.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.172 0.589 . . . . 99.99 110.3 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . 0.439 ' NH1' ' HA ' ' E' ' 79' ' ' GLU . 9.3 ptp180 50.63 33.95 8.95 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.754 1.622 . . . . 99.99 114.739 168.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 66.13 77.39 0.29 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.201 1.001 . . . . 99.99 109.783 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -80.5 66.81 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.697 0.799 . . . . 99.99 112.08 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 tt -179.52 -66.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.246 -1.761 . . . . 99.99 106.246 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 47.6 m -117.05 85.24 2.29 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.426 -1.261 . . . . 99.99 108.581 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' E' ' 81' ' ' THR . 9.9 p-10 -71.03 146.51 49.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.829 0.852 . . . . 99.99 110.372 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.458 ' NZ ' ' HA2' ' E' ' 49' ' ' GLY . 49.6 mttp -125.78 98.63 33.65 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 123.277 0.631 . . . . 99.99 109.828 -173.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.12 172.19 7.81 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.155 2.57 . . . . 99.99 113.509 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.72 16.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.471 -0.786 . . . . 99.99 112.331 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' B' ' 131' ' ' VAL . 14.2 tmtt? -104.72 0.42 28.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.328 1.051 . . . . 99.99 110.748 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -68.0 138.36 55.82 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.415 0.686 . . . . 99.99 111.286 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.74 93.7 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-O 121.949 0.881 . . . . 99.99 109.178 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.34 94.86 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.96 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.96 118.68 37.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.886 -1.052 . . . . 99.99 109.245 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -83.19 73.99 10.05 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.58 6.94 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.954 0.902 . . . . 99.99 112.441 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.33 -47.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.297 0.373 . . . . 99.99 112.684 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.83 149.34 48.7 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.866 0.866 . . . . 99.99 109.659 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.39 79.38 1.92 Allowed Glycine 0 C--N 1.344 1.009 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.95 127.54 35.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.2 100.53 0.13 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 110.991 -0.844 . . . . 99.99 110.991 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.64 161.95 38.65 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.565 0.746 . . . . 99.99 109.817 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -65.43 -16.08 63.27 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.389 1.076 . . . . 99.99 112.892 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' E' ' 56' ' ' ARG . 10.3 tp10 -59.96 -20.51 57.93 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.31 1.044 . . . . 99.99 111.656 172.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -62.81 -16.4 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.171 0.988 . . . . 99.99 111.858 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.468 HG21 ' HB2' ' E' ' 61' ' ' ASP . 73.1 p -72.86 81.42 1.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.643 0.735 . . . . 99.99 109.99 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.93 4.1 10.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.528 1.131 . . . . 99.99 110.418 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' E' ' 62' ' ' LYS . . . -98.1 128.11 44.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.442 0.697 . . . . 99.99 109.337 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.17 -172.28 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.888 -0.782 . . . . 99.99 108.888 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.32 121.01 16.85 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.577 0.703 . . . . 99.99 111.058 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -80.84 84.77 6.28 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.09 132.04 27.65 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.706 0.803 . . . . 99.99 112.015 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.87 89.45 0.12 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.459 1.104 . . . . 99.99 111.983 -161.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . 0.429 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . 78.14 2.03 81.85 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.27 -0.877 . . . . 99.99 114.193 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.54 83.77 5.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.339 0.656 . . . . 99.99 110.342 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.61 128.81 48.54 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 118.779 -1.012 . . . . 99.99 111.751 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.03 68.64 1.33 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 115.265 0.866 . . . . 99.99 115.265 -167.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -121.87 62.83 0.93 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.274 -1.38 . . . . 99.99 107.274 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -124.75 -90.59 0.56 Allowed 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.949 -170.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -153.56 165.65 35.21 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 124.177 0.991 . . . . 99.99 109.897 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.4 159.26 35.06 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.55 -1.02 . . . . 99.99 110.55 -171.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.747 HD13 HD22 ' E' ' 100' ' ' LEU . 0.1 OUTLIER 80.39 -39.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 125.002 1.321 . . . . 99.99 112.559 176.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.41 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.199 1.4 . . . . 99.99 111.368 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.18 -67.68 0.78 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.938 0.495 . . . . 99.99 110.922 -174.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.747 HD22 HD13 ' E' ' 97' ' ' ILE . 39.6 tp 56.19 67.89 2.58 Favored Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.333 1.053 . . . . 99.99 111.836 -171.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -95.33 1.28 2.47 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.665 2.243 . . . . 99.99 112.678 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.629 ' HG ' ' H ' ' E' ' 103' ' ' THR . 15.1 tp 62.95 -166.41 0.23 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.1 1.36 . . . . 99.99 108.963 -169.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . 0.629 ' H ' ' HG ' ' E' ' 102' ' ' LEU . 27.3 p -85.82 7.66 23.02 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.183 0.593 . . . . 99.99 111.31 168.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.96 177.24 34.84 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 121.121 0.29 . . . . 99.99 113.1 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.54 -16.73 55.44 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.113 0.965 . . . . 99.99 109.955 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -127.9 132.45 49.31 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.716 -1.216 . . . . 99.99 107.716 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 20.2 m -68.89 -50.9 45.71 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 71.11 -18.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.451 1.278 . . . . 99.99 114.451 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.477 ' HB2' ' HD2' ' D' ' 137' ' ' PHE . 27.7 m-85 -68.14 97.46 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.772 0.829 . . . . 99.99 111.26 -171.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 72.07 -7.8 1.25 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.247 1.419 . . . . 99.99 113.211 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' D' ' 44' ' ' LEU . 71.2 mt -136.24 106.6 6.43 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.154 0.982 . . . . 99.99 109.089 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.85 39.93 0.13 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 109.538 -0.541 . . . . 99.99 109.538 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 64.67 122.42 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.315 1.446 . . . . 99.99 110.96 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 67.76 -70.38 0.12 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.942 1.297 . . . . 99.99 110.168 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 6.3 m 65.35 20.65 11.86 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.302 1.441 . . . . 99.99 110.823 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.26 -79.43 0.53 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.522 -0.763 . . . . 99.99 111.527 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -118.09 120.14 32.74 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 124.368 1.067 . . . . 99.99 108.566 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 139.49 51.15 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.362 2.042 . . . . 99.99 111.67 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.1 -71.86 0.4 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.111 0.565 . . . . 99.99 111.405 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 232' ' ' THR . 37.9 t80 -123.7 3.66 8.89 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.295 0.638 . . . . 99.99 111.924 -169.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.508 HG11 HD13 ' D' ' 44' ' ' LEU . 46.4 t -121.04 122.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.981 0.512 . . . . 99.99 110.138 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.7 p -131.98 -77.32 0.51 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.443 0.697 . . . . 99.99 110.757 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . 0.703 ' HB2' ' HG2' ' E' ' 235' ' ' GLU . 18.4 m-20 -123.49 175.53 6.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.994 0.517 . . . . 99.99 110.79 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 72.3 m -136.07 141.74 44.28 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.126 0.97 . . . . 99.99 109.645 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -128.46 82.08 2.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.579 . . . . 99.99 110.431 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -164.92 117.45 1.22 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.679 0.792 . . . . 96.83 109.874 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 61.3 m -145.71 165.59 28.32 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.705 0.802 . . . . 99.99 111.435 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' B' ' 15' ' ' ARG . . . -145.0 158.38 43.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.192 0.997 . . . . 74.48 110.057 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 30.5 p -89.4 122.56 32.73 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.515 0.726 . . . . 99.99 111.761 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 122' ' ' THR . . . -149.94 138.78 20.94 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.597 1.159 . . . . 99.99 109.815 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -161.46 -166.55 1.54 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.296 0.638 . . . . 99.99 109.694 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 40.6 m -103.78 177.0 4.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.943 0.897 . . . . 99.99 111.036 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 125' ' ' GLN . 6.4 t -115.02 172.45 7.04 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 168.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -82.65 123.67 6.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.818 -0.913 . . . . 89.58 110.818 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.647 ' HA ' HD22 ' E' ' 468' ' ' LEU . 19.3 t -85.51 51.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -55.77 -36.01 66.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.777 1.231 . . . . 99.99 112.105 -168.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.611 ' H ' ' HB3' ' E' ' 468' ' ' LEU . 41.7 p -96.73 108.63 21.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.969 -0.752 . . . . 99.99 108.969 171.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -74.24 0.26 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.369 1.068 . . . . 99.99 109.817 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 71.14 112.34 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.093 1.357 . . . . 99.99 112.687 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 131' ' ' VAL . . . 87.65 -85.39 1.51 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.779 -0.646 . . . . 99.99 111.972 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 49.27 69.69 0.56 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.082 1.353 . . . . 99.99 112.39 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.55 -75.4 0.07 Allowed 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.949 1.3 . . . . 99.99 108.714 -173.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.49 18.53 0.25 Allowed Glycine 0 N--CA 1.475 1.296 0 CA-C-O 119.972 -0.349 . . . . 99.99 112.967 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.3 p -164.81 128.56 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.871 0.869 . . . . 99.99 108.91 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -146.57 139.47 25.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.258 0.623 . . . . 99.99 111.181 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . 0.44 ' HB ' ' H ' ' C' ' 11' ' ' PHE . 4.5 mp -126.31 133.74 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 107.448 -1.316 . . . . 99.99 107.448 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.542 ' HB2' HE22 ' C' ' 4' ' ' GLN . 8.5 m170 -99.53 149.75 22.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.648 0.779 . . . . 99.99 109.273 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -148.8 -178.29 6.27 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.396 0.617 . . . . 99.99 111.778 -175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -104.68 139.29 39.72 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 106.813 -1.551 . . . . 99.99 106.813 158.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.94 114.3 1.39 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.598 1.159 . . . . 99.99 111.666 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -54.61 -50.75 83.75 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 118.374 -0.822 . . . . 99.99 112.925 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . 0.641 ' HD3' HG21 ' C' ' 55' ' ' VAL . 62.8 Cg_endo -85.36 171.65 8.7 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.921 1.748 . . . . 99.99 111.17 168.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.0 p 46.33 75.06 0.13 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.821 1.248 . . . . 99.99 111.974 -175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 48.9 mm -64.58 -30.95 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.933 0.893 . . . . 99.99 111.062 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.86 -34.74 71.94 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.474 -0.785 . . . . 99.99 110.776 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . 0.42 ' HB2' ' HZ2' ' E' ' 471' ' ' LYS . 45.5 mt-10 64.48 -73.62 0.05 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.465 1.506 . . . . 99.99 111.197 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.89 145.29 40.62 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.817 0.847 . . . . 99.99 108.833 171.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.41 119.63 12.56 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.279 0.631 . . . . 99.99 110.351 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -62.17 -17.67 58.68 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.699 0.8 . . . . 99.99 112.925 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.15 93.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.697 0.799 . . . . 99.99 110.887 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.34 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.152 1.381 . . . . 99.99 111.959 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -93.22 -50.39 2.42 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.575 -0.61 . . . . 99.99 111.575 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 55.0 tp 67.17 -69.44 0.13 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.863 1.665 . . . . 99.99 112.138 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -80.14 158.79 26.25 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.598 0.759 . . . . 99.99 111.957 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 10.1 t -112.78 -3.14 14.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.252 1.021 . . . . 99.99 110.407 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.72 -133.79 23.4 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.797 -0.521 . . . . 99.99 111.797 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -89.93 1.82 55.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.581 0.752 . . . . 99.99 111.628 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.4 p 55.26 13.64 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.872 0 C-N-CA 126.398 1.879 . . . . 99.99 113.216 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 10.7 t 49.25 30.91 3.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.375 1.87 . . . . 99.99 114.203 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 29.7 m -94.37 88.86 5.67 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 122.139 -0.35 . . . . 99.99 111.311 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.1 82.54 0.06 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.712 1.605 . . . . 99.99 113.633 169.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.77 100.6 10.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.208 0.603 . . . . 99.99 109.859 177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.6 129.23 35.54 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.691 -1.14 . . . . 99.99 109.916 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -77.47 89.43 3.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 121.752 0.786 . . . . 99.99 109.022 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.26 174.2 9.12 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.903 -0.589 . . . . 99.99 111.031 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.21 93.51 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.418 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 42.1 p -59.07 135.91 87.83 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.949 0.9 . . . . 99.99 110.31 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.77 96.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.051 2.5 . . . . 99.99 112.309 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 65.33 168.15 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.226 1.411 . . . . 99.99 112.874 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -163.12 118.12 1.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.059 0.944 . . . . 99.99 108.848 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 9.8 tt -92.44 122.64 35.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.483 0.713 . . . . 99.99 109.593 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.79 111.6 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.79 -3.22 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.852 1.261 . . . . 99.99 113.042 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 53.82 -97.59 0.07 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.123 1.369 . . . . 99.99 110.732 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . 0.418 HG23 ' H ' ' E' ' 186' ' ' THR . 0.2 OUTLIER -154.88 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.259 1.023 . . . . 99.99 108.72 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . 0.418 ' H ' HG23 ' E' ' 185' ' ' VAL . 57.2 m 54.03 -88.91 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.194 1.397 . . . . 99.99 112.008 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 26.2 t 156.76 165.96 0.01 OUTLIER 'General case' 0 C--O 1.251 1.159 0 C-N-CA 127.864 2.465 . . . . 99.99 106.475 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 61.67 36.37 16.57 Favored 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 122.545 1.164 . . . . 99.99 110.663 175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -67.75 106.76 2.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.441 -1.254 . . . . 99.99 109.301 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 15.9 t 62.38 -171.46 0.16 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.2 0.937 . . . . 99.99 111.043 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 47.2 t80 67.7 -72.96 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.508 1.523 . . . . 99.99 112.019 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -55.67 -60.87 8.13 Favored Glycine 0 C--N 1.357 1.739 0 CA-C-O 119.173 -0.793 . . . . 99.99 113.615 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.43 76.05 0.52 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 123.157 2.571 . . . . 99.99 112.184 170.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 17.5 m -74.32 96.18 2.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.346 0.658 . . . . 99.99 110.718 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.4 93.44 2.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.805 0.842 . . . . 99.99 109.518 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -65.78 0.97 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.947 -0.761 . . . . 99.99 108.947 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 20.7 m 63.09 56.9 1.7 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.751 1.22 . . . . 99.99 113.95 164.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.51 -52.39 9.87 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 167.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -95.7 139.21 32.27 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 113.831 -1.531 . . . . 99.99 107.163 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' E' ' 34' ' ' ALA . 57.3 m -61.89 110.36 3.14 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.316 1.046 . . . . 99.99 112.546 -171.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.45 ' HG2' ' HG2' ' E' ' 206' ' ' GLU . 71.8 Cg_endo -75.58 -33.96 3.68 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.486 2.124 . . . . 99.99 111.902 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . 0.585 ' HA3' ' H ' ' E' ' 206' ' ' GLU . . . -96.97 -22.48 17.63 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.642 -0.532 . . . . 99.99 112.527 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 70.61 -68.57 0.2 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.481 1.513 . . . . 99.99 111.857 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -116.32 13.45 15.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.383 0.673 . . . . 99.99 111.351 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' E' ' 40' ' ' ALA . 73.3 mt -135.18 -82.98 0.42 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.522 0.729 . . . . 99.99 111.023 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . 0.585 ' H ' ' HA3' ' E' ' 202' ' ' GLY . 0.2 OUTLIER 68.06 120.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.597 1.559 . . . . 99.99 110.07 -171.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -138.51 113.12 8.94 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.281 0.633 . . . . 99.99 109.607 -176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.91 136.6 2.79 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.726 0.641 . . . . 99.99 112.081 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 69.0 44.25 68.51 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.828 0.37 . . . . 99.99 112.549 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -84.7 131.23 34.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 81.38 -75.09 2.35 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.119 -1.192 . . . . 99.99 110.119 -164.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . 0.5 ' HB3' ' HA ' ' B' ' 147' ' ' GLU . 55.0 p -149.39 -78.1 0.14 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.66 0.784 . . . . 99.99 109.599 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' E' ' 216' ' ' GLN . 8.5 tp -167.98 4.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.332 0 C-N-CA 124.808 1.243 . . . . 99.99 109.081 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 21.8 m 86.56 -61.59 0.05 OUTLIER 'General case' 0 C--N 1.371 1.533 0 C-N-CA 126.822 2.049 . . . . 99.99 111.461 -173.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -65.4 -13.43 58.65 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -167.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . 0.419 ' HG3' HG22 ' E' ' 213' ' ' ILE . 27.1 mt-30 -63.07 -54.79 32.56 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 119.087 -0.482 . . . . 99.99 111.345 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 43.9 tp 47.84 61.64 2.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.416 1.073 . . . . 99.99 110.588 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 57.6 mt -74.59 98.95 3.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.305 -0.861 . . . . 99.99 110.83 -172.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -73.85 84.33 1.69 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.927 -1.033 . . . . 99.99 109.504 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -155.02 -171.11 3.71 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.035 -1.438 . . . . 99.99 108.108 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 68.91 50.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 99.99 111.164 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -86.06 126.85 34.48 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 114.944 -1.025 . . . . 99.99 109.029 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -97.69 125.41 42.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.609 0.763 . . . . 99.99 111.428 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.56 158.01 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 123.925 0.89 . . . . 99.99 108.712 171.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 20.1 p -76.94 78.78 3.5 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 109.803 -0.443 . . . . 99.99 109.803 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.3 mt 71.88 -12.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 126.35 1.86 . . . . 99.99 114.262 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 88.82 -51.45 3.83 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 112.036 -0.426 . . . . 99.99 112.036 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -158.85 -179.02 33.4 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.101 -0.799 . . . . 99.99 111.101 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -72.83 120.34 7.33 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.54 -0.589 . . . . 99.99 111.828 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -65.36 -75.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.92 0.488 . . . . 99.99 109.788 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.46 ' H ' ' HE2' ' E' ' 231' ' ' LYS . 0.3 OUTLIER 53.66 71.91 0.47 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.307 1.043 . . . . 99.99 111.44 177.523 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' E' ' 120' ' ' TYR . 5.7 t -147.05 125.99 12.77 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.484 -0.932 . . . . 99.99 108.484 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -21.24 65.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.452 0.701 . . . . 99.99 112.053 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.33 -176.47 0.2 Allowed 'General case' 0 C--O 1.248 0.979 0 C-N-CA 124.635 1.174 . . . . 99.99 111.567 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . 0.703 ' HG2' ' HB2' ' E' ' 123' ' ' ASP . 8.0 tp10 62.79 -90.8 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.173 0.989 . . . . 99.99 111.677 172.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.0 m -161.14 156.56 24.56 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.791 1.236 . . . . 99.99 107.854 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.12 16.5 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.198 0.999 . . . . 99.99 111.413 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 60.1 m -52.04 113.56 1.05 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.813 1.245 . . . . 99.99 110.674 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 64.46 100.21 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.731 1.212 . . . . 99.99 109.631 -169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -68.9 85.31 0.21 Allowed Glycine 0 C--N 1.347 1.154 0 CA-C-N 115.969 -0.56 . . . . 99.99 112.051 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -89.55 -24.65 21.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.893 0.877 . . . . 99.99 110.933 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -67.29 -54.6 19.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.377 1.071 . . . . 99.99 109.884 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 59.42 65.76 1.12 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.541 1.136 . . . . 99.99 111.993 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -88.08 -96.32 0.96 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.381 -1.088 . . . . 99.99 110.381 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 79.59 -45.59 0.33 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.572 1.549 . . . . 99.99 113.455 167.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.4 m 67.27 64.21 0.43 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.957 1.303 . . . . 99.99 111.697 173.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.5 tp -90.53 -19.02 24.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.067 -0.969 . . . . 99.99 111.161 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.75 67.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.918 0.887 . . . . 99.99 112.845 -169.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.59 -44.33 36.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.869 1.268 . . . . 99.99 113.387 -170.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -59.21 -27.03 65.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.357 0.873 . . . . 99.99 113.357 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -66.0 -62.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.397 1.258 . . . . 99.99 114.397 -164.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -90.79 -62.57 1.42 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.427 0.899 . . . . 99.99 113.427 -168.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.99 3.31 55.52 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.995 1.109 . . . . 99.99 113.995 -162.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' E' ' 257' ' ' GLN . 1.1 mmp_? 69.83 93.74 0.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 107.323 -1.362 . . . . 99.99 107.323 -163.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.48 108.16 1.25 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.184 -0.787 . . . . 99.99 114.176 -170.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 67.3 t80 80.14 -29.41 0.13 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.702 1.601 . . . . 99.99 111.903 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . 0.677 ' HA ' ' HB3' ' E' ' 264' ' ' SER . 2.1 mp0 -66.76 -70.03 0.27 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.719 -0.475 . . . . 99.99 109.719 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 46.6 tp 58.71 -77.54 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.34 1.456 . . . . 99.99 112.41 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.21 6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 123.573 0.749 . . . . 99.99 110.365 -176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 19.7 m -84.77 45.06 1.11 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.515 1.126 . . . . 99.99 110.84 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 69.76 162.24 0.23 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.643 1.577 . . . . 99.99 110.825 -167.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.86 73.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.598 -0.728 . . . . 99.99 111.234 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -83.13 -17.85 41.54 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.59 -0.732 . . . . 99.99 112.343 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' E' ' 257' ' ' GLN . 84.0 p 53.31 100.94 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.174 1.39 . . . . 99.99 112.278 -172.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.41 84.67 0.81 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.109 0.564 . . . . 99.99 110.381 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -51.99 -51.19 58.94 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.059 0.944 . . . . 99.99 110.376 173.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 8.5 m -148.57 -76.63 0.16 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.135 -0.939 . . . . 99.99 108.904 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.8 11.3 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.352 0.661 . . . . 99.99 112.197 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 98.15 3.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.602 0.715 . . . . 99.99 110.405 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' E' ' 273' ' ' GLN . 11.5 tp10 -69.21 132.01 45.82 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.848 -1.069 . . . . 99.99 110.288 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.85 71.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.809 0.844 . . . . 99.99 110.892 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.07 -20.84 60.15 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.717 0.807 . . . . 99.99 110.533 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' E' ' 270' ' ' GLU . 72.1 mt-30 64.24 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.163 1.785 . . . . 99.99 111.279 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -78.99 24.7 0.3 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.605 1.162 . . . . 99.99 112.893 -173.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' E' ' 276' ' ' PRO . 5.2 tppp? -50.49 119.13 10.59 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 109.766 -0.457 . . . . 99.99 109.766 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' E' ' 275' ' ' LYS . 98.1 Cg_endo -102.32 95.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.888 2.392 . . . . 99.99 113.431 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 87' ' ' ALA . 7.2 tt -58.43 -46.23 86.9 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 106.784 -1.562 . . . . 99.99 106.784 161.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.439 ' HG ' HD12 ' C' ' 98' ' ' LEU . 0.3 OUTLIER -85.08 111.13 19.48 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.726 -1.579 . . . . 99.99 107.561 173.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -82.14 58.65 4.94 Favored Glycine 0 C--N 1.349 1.299 0 O-C-N 123.29 0.369 . . . . 99.99 113.554 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -178.36 138.59 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.357 -1.72 . . . . 99.99 106.357 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' C' ' 98' ' ' LEU . 5.0 t80 67.98 98.52 0.06 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.153 0.981 . . . . 99.99 110.854 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -155.29 -77.61 0.1 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.395 -0.965 . . . . 99.99 108.395 172.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.29 107.61 15.48 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.743 -1.206 . . . . 99.99 107.743 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -176.27 -44.82 0.06 OUTLIER Glycine 0 C--O 1.225 -0.427 0 CA-C-O 118.93 -0.928 . . . . 99.99 112.29 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 75.11 144.54 0.08 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.7 1.2 . . . . 99.99 109.607 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 93.1 mtp -108.06 122.25 41.28 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.41 -69.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.794 2.33 . . . . 99.99 111.695 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 89.8 t 55.79 96.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.003 0 O-C-N 124.563 1.165 . . . . 99.99 111.074 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 134.88 39.79 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.512 -0.767 . . . . 99.99 110.536 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.441 ' HE1' HG23 ' C' ' 40' ' ' VAL . 30.9 t-105 -69.2 139.43 54.54 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.561 -0.533 . . . . 99.99 109.561 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.49 70.95 8.48 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.666 -172.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 73.34 104.17 0.07 OUTLIER Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.899 -0.945 . . . . 99.99 112.875 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.11 84.87 0.26 Allowed 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.324 2.016 . . . . 99.99 111.099 170.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -110.02 28.95 8.09 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.492 -1.231 . . . . 99.99 110.721 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.42 -176.06 0.15 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.329 1.052 . . . . 99.99 111.752 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.584 ' HA ' HD13 ' C' ' 126' ' ' LEU . 12.2 t -128.22 -6.73 5.38 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.103 0.561 . . . . 99.99 110.63 174.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -100.71 -87.44 0.38 Allowed 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.095 0.558 . . . . 99.99 111.075 -176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.83 -28.05 0.19 Allowed 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.07 1.348 . . . . 99.99 112.38 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 156.88 -111.56 0.49 Allowed Glycine 0 C--N 1.361 1.946 0 N-CA-C 111.086 -0.806 . . . . 99.99 111.086 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . 0.557 HD22 HG23 ' E' ' 301' ' ' ILE . 10.3 t30 70.6 -65.68 0.32 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 125.62 1.568 . . . . 99.99 113.895 170.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.557 HG23 HD22 ' E' ' 300' ' ' ASN . 47.3 pt -86.01 40.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 CA-C-O 121.437 0.637 . . . . 99.99 111.82 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.27 99.91 1.24 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.869 0.867 . . . . 99.99 110.048 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 61.41 100.54 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.033 1.333 . . . . 99.99 110.93 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.32 94.48 0.14 Allowed 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.931 2.42 . . . . 99.99 110.846 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -70.64 99.48 1.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.991 -1.004 . . . . 99.99 110.502 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' D' ' 14' ' ' GLN . 66.1 t -78.61 161.85 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.068 1.347 . . . . 99.99 109.722 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' E' ' 3' ' ' GLN . 17.6 m -56.84 114.22 1.99 Allowed 'General case' 0 C--N 1.362 1.143 0 C-N-CA 123.811 0.844 . . . . 99.99 112.013 -172.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.429 ' SG ' ' HA3' ' E' ' 89' ' ' GLY . 31.1 t -105.86 21.96 16.4 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.218 1.007 . . . . 99.99 111.186 -174.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 63.7 m 66.98 106.64 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 125.257 1.423 . . . . 99.99 112.523 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -84.11 97.09 0.73 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.721 2.281 . . . . 99.99 112.585 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -81.71 -40.84 1.02 Allowed Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.471 -0.776 . . . . 99.99 110.819 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.09 101.62 1.12 Allowed 'Trans proline' 0 C--N 1.397 3.098 0 C-N-CA 121.663 1.575 . . . . 99.99 111.207 167.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.91 102.53 1.6 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.339 -0.846 . . . . 99.99 109.693 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' E' ' 314' ' ' ARG . 9.4 mmp_? -89.63 115.57 27.11 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.789 -0.641 . . . . 99.99 110.755 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . 0.487 HD21 ' HA ' ' E' ' 318' ' ' VAL . 7.1 t30 -153.93 82.32 1.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.445 -1.317 . . . . 99.99 107.445 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.46 -34.41 65.35 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.529 -0.76 . . . . 99.99 109.694 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 38.5 t -89.69 104.34 16.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.918 -1.037 . . . . 99.99 108.83 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . 0.487 ' HA ' HD21 ' E' ' 315' ' ' ASN . 33.1 m -80.64 129.51 68.18 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 122.86 0.464 . . . . 99.99 110.433 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.58 -4.9 12.41 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.53 2.153 . . . . 99.99 113.011 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 34.0 p -76.01 90.01 3.01 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.838 0.855 . . . . 99.99 109.932 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.8 tt 65.81 -81.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.966 1.306 . . . . 99.99 110.021 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.88 -82.52 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.339 1.456 . . . . 99.99 113.08 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.58 13.1 12.85 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.268 1.027 . . . . 99.99 111.97 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.8 ttp 75.08 129.87 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.714 1.606 . . . . 99.99 111.452 -175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . 0.573 HG23 ' H ' ' E' ' 326' ' ' ASP . 2.1 t -122.33 -84.13 0.66 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.164 -1.05 . . . . 99.99 108.164 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.573 ' H ' HG23 ' E' ' 325' ' ' THR . 5.3 m-20 59.72 20.54 9.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.537 1.135 . . . . 99.99 113.9 159.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 70.33 -4.96 1.45 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.24 1.416 . . . . 99.99 111.974 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.49 61.24 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.404 1.082 . . . . 99.99 110.61 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.97 -18.24 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 115.994 -0.548 . . . . 99.99 111.677 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -81.33 -44.37 17.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.629 0.771 . . . . 99.99 110.062 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' E' ' 332' ' ' LEU . 4.2 tt -76.91 -62.44 1.64 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' E' ' 331' ' ' LEU . 1.9 mm? -86.76 74.72 9.75 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.39 -0.967 . . . . 99.99 108.39 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 67.0 p -77.63 -50.39 12.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.571 0.749 . . . . 99.99 110.216 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.661 ' HG3' ' H ' ' E' ' 336' ' ' GLU . 11.0 ptpp? -167.75 -157.38 0.22 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 107.302 -1.37 . . . . 99.99 107.302 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -63.44 -21.96 66.61 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.259 0.624 . . . . 99.99 111.635 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.661 ' H ' ' HG3' ' E' ' 334' ' ' LYS . 38.5 tt0 -52.0 111.72 0.66 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.934 1.294 . . . . 99.99 110.531 168.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.44 -73.65 0.64 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.87 0.868 . . . . 99.99 110.203 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 70' ' ' GLU . . . 167.01 -166.96 39.51 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 116.569 -0.287 . . . . 99.99 113.401 -177.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 52.5 t80 67.74 96.19 0.06 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.425 1.49 . . . . 99.99 112.096 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -101.06 -69.89 0.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.849 0.86 . . . . 99.99 111.093 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 45.6 tp -161.02 143.32 12.4 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.043 0.537 . . . . 99.99 110.257 -174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . 0.561 ' HG3' HG13 ' E' ' 343' ' ' VAL . 29.6 pt20 -85.59 -36.6 20.29 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.637 0.775 . . . . 99.99 112.329 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . 0.561 HG13 ' HG3' ' E' ' 342' ' ' GLN . 28.3 m -101.43 130.55 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.173 0.589 . . . . 99.99 111.387 -175.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.67 151.93 38.86 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.881 -0.785 . . . . 99.99 108.881 171.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -62.7 102.71 0.53 Allowed Glycine 0 C--N 1.355 1.601 0 O-C-N 123.288 0.368 . . . . 99.99 112.374 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -117.04 -41.07 3.04 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 99.99 111.249 -173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 23.2 t -84.8 9.52 13.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.89 0.876 . . . . 99.99 111.921 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.09 115.66 29.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 108.955 -0.757 . . . . 99.99 108.955 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.78 139.97 40.57 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.571 0.749 . . . . 99.99 109.321 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -77.42 160.79 28.47 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 99.99 109.309 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.18 26.86 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.091 1.145 . . . . 99.99 114.091 -169.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.85 127.73 11.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.738 0.815 . . . . 99.99 109.295 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -95.24 -3.42 47.62 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.648 0.779 . . . . 99.99 110.046 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 70.93 58.0 0.21 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.431 1.492 . . . . 99.99 111.243 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -152.65 -84.1 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.0 -1.0 . . . . 99.99 109.265 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 48.91 68.59 3.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 C-N-CA 124.858 1.263 . . . . 99.99 111.67 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 87.88 0.4 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.348 2.032 . . . . 99.99 111.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.1 t -158.6 140.26 13.56 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.869 0.868 . . . . 99.99 110.19 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 157.13 -154.89 25.92 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.287 0.367 . . . . 99.99 112.589 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 136.07 40.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.203 1.001 . . . . 99.99 109.343 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 8.5 tp -116.19 -39.39 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.43 0.692 . . . . 99.99 111.435 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -166.33 -40.96 0.02 OUTLIER Glycine 0 C--N 1.349 1.261 0 C-N-CA 121.453 -0.403 . . . . 99.99 112.77 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 58.5 18.34 5.62 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.337 1.455 . . . . 99.99 112.684 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 87.2 m 62.07 98.79 0.03 OUTLIER 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.861 1.265 . . . . 99.99 110.612 -166.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.89 164.56 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 122.887 0.475 . . . . 99.99 110.033 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.2 105.19 3.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.41 0.684 . . . . 99.99 111.059 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.67 -19.33 45.48 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.733 0.813 . . . . 99.99 109.599 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -25.33 61.82 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.587 0.755 . . . . 99.99 112.927 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.17 -40.42 97.5 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.112 0.565 . . . . 99.99 110.852 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.56 72.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.325 0.65 . . . . 99.99 111.073 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.77 -41.36 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.49 0.716 . . . . 99.99 111.044 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.84 -16.28 62.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.064 0.546 . . . . 99.99 112.092 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.54 -25.72 67.48 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.099 0.56 . . . . 99.99 110.924 173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -70.19 -24.17 63.08 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.68 0.792 . . . . 99.99 111.87 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.57 -43.0 81.66 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.621 -0.881 . . . . 99.99 108.621 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.68 -35.45 78.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.128 0.571 . . . . 99.99 110.637 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -67.32 -33.52 75.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.66 0.784 . . . . 99.99 109.913 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.88 61.02 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.56 0.744 . . . . 99.99 110.709 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -76.46 -24.11 53.88 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.85 0.86 . . . . 99.99 110.038 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -112.68 38.07 2.89 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.082 0.953 . . . . 99.99 108.564 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.39 154.66 39.53 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.746 -0.661 . . . . 99.99 110.662 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 162.43 -39.13 0.36 Allowed Glycine 0 C--O 1.24 0.477 0 N-CA-C 111.229 -0.748 . . . . 99.99 111.229 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 66.7 t30 63.7 12.91 6.97 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.45 1.1 . . . . 99.99 111.316 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 46.1 p -64.3 -44.57 91.23 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.58 1.152 . . . . 99.99 110.849 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 98.1 mt -137.61 155.63 48.97 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.306 1.442 . . . . 99.99 107.728 170.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.43 115.74 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 121.226 0.536 . . . . 99.99 110.02 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.9 121.77 20.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 N-CA-C 107.924 -1.139 . . . . 99.99 107.924 169.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.77 124.67 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.831 0.707 . . . . 99.99 110.303 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 132.88 49.97 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.942 -0.762 . . . . 99.99 108.942 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.76 144.71 54.29 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.152 0.581 . . . . 99.99 111.032 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.12 146.35 28.02 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.814 0.696 . . . . 99.99 110.479 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -74.0 -64.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.551 -0.749 . . . . 99.99 111.171 -170.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -147.63 90.2 1.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.926 0.49 . . . . 99.99 111.547 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -97.33 -38.01 9.82 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.851 0.46 . . . . 99.99 111.172 173.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.28 -85.21 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.983 1.313 . . . . 99.99 111.825 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 39.2 t -172.04 54.82 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 65.86 102.57 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.013 -1.106 . . . . 99.99 108.013 -168.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.44 147.49 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 112.249 0.463 . . . . 99.99 112.249 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 31.5 t 55.72 64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 124.42 1.088 . . . . 99.99 109.711 -170.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.462 ' H ' ' HD2' ' E' ' 401' ' ' PRO . . . -163.87 -48.84 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-N 114.902 -1.044 . . . . 99.99 111.646 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.462 ' HD2' ' H ' ' E' ' 400' ' ' ALA . 32.8 Cg_endo -63.05 164.25 20.07 Favored 'Trans proline' 0 C--N 1.399 3.195 0 CA-C-N 121.451 1.554 . . . . 99.99 111.902 174.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 16.4 t70 69.32 -80.37 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.787 1.235 . . . . 99.99 110.818 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.3 m 59.91 95.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.626 1.171 . . . . 99.99 111.051 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -67.55 112.97 5.0 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.33 89.63 Favored Pre-proline 0 CA--C 1.563 1.446 0 O-C-N 124.188 0.93 . . . . 99.99 112.044 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . 0.64 ' HB2' ' HB2' ' E' ' 411' ' ' ALA . 42.3 Cg_endo -85.8 -158.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.202 1.935 . . . . 99.99 111.504 169.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -54.45 145.56 27.25 Favored Glycine 0 C--N 1.358 1.804 0 CA-C-O 118.766 -1.019 . . . . 99.99 111.441 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.58 73.42 0.24 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.674 1.19 . . . . 99.99 113.109 -163.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.0 t 170.13 -50.76 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.076 1.75 . . . . 99.99 109.005 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 176.5 3.19 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.827 1.251 . . . . 99.99 110.332 -174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' E' ' 406' ' ' PRO . . . 70.82 111.34 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.345 1.458 . . . . 99.99 110.363 -165.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' E' ' 415' ' ' LYS . 96.2 mt -70.56 101.53 2.04 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.542 0.737 . . . . 99.99 109.392 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 65.12 15.64 10.11 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.985 0.914 . . . . 99.99 111.21 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 3.1 m 61.76 14.43 6.17 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.713 1.205 . . . . 99.99 112.031 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' E' ' 412' ' ' LEU . 64.1 pttt -68.02 -18.7 64.78 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.6 0.76 . . . . 99.99 111.061 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.11 -38.83 77.21 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.12 1.368 . . . . 99.99 109.676 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -95.12 41.89 2.45 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.055 -0.975 . . . . 99.99 112.029 170.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.42 -81.46 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.442 1.497 . . . . 99.99 111.654 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 1.6 p 55.32 8.61 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 C-N-CA 127.273 2.229 . . . . 99.99 114.463 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.7 ptm -113.89 163.31 15.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.531 0.733 . . . . 99.99 109.605 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 86.7 t 74.27 -62.52 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 125.568 1.547 . . . . 99.99 111.146 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 21.3 ttt 60.15 52.12 5.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.868 1.267 . . . . 99.99 109.882 -177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.4 t -69.01 139.57 54.98 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.531 -1.213 . . . . 99.99 109.334 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -74.44 -44.88 49.77 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.698 0.799 . . . . 99.99 110.843 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 61.03 29.27 70.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.815 0.697 . . . . 99.99 113.159 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . 0.448 ' HA ' ' HD2' ' E' ' 471' ' ' LYS . 14.1 t30 -79.53 160.91 26.31 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.071 0.948 . . . . 99.99 110.101 -177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 5.2 m -49.52 -38.67 31.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.659 1.184 . . . . 99.99 112.054 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . 0.403 ' H ' ' ND2' ' E' ' 426' ' ' ASN . 11.2 tp10 76.11 -59.97 0.5 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.435 1.894 . . . . 99.99 110.79 174.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -74.56 2.8 8.86 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.561 1.145 . . . . 99.99 112.527 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.09 -13.11 59.49 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.817 0.847 . . . . 99.99 111.083 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 32.8 t -59.3 -17.17 26.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.872 1.269 . . . . 99.99 112.349 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' E' ' 432' ' ' GLN . 0.0 OUTLIER -54.63 -41.84 70.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.244 1.018 . . . . 99.99 111.77 172.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 62.31 -87.69 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.75 1.281 . . . . 99.99 110.359 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -175.19 133.25 0.31 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.797 1.239 . . . . 99.99 108.13 170.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 20.5 p -91.68 -18.22 24.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.482 0.713 . . . . 99.99 112.207 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -93.25 170.77 31.8 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-O 120.008 -0.329 . . . . 99.99 112.546 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.4 p -173.16 -154.18 0.07 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.565 1.146 . . . . 99.99 108.771 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.85 140.04 58.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.204 0.601 . . . . 99.99 111.476 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 42.8 mt 66.29 -92.81 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.102 1.361 . . . . 99.99 109.003 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 47.32 36.87 5.18 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 114.716 1.376 . . . . 99.99 114.716 170.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 30.9 pt 44.89 32.41 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 126.28 1.832 . . . . 99.99 113.269 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -123.37 -37.27 2.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.414 1.086 . . . . 99.99 109.514 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -68.75 96.49 0.74 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.445 -0.798 . . . . 99.99 110.383 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -134.98 -3.13 2.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.144 0.977 . . . . 99.99 111.441 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -81.84 163.69 44.07 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.314 -0.715 . . . . 99.99 113.108 -174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -52.34 144.96 37.8 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.935 3.09 . . . . 99.99 114.549 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -106.07 20.46 18.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.634 1.174 . . . . 99.99 110.502 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 67.9 96.09 0.06 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.339 1.456 . . . . 99.99 111.517 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -151.0 24.74 0.74 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.812 0.845 . . . . 99.99 110.893 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -142.69 159.15 42.79 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.825 -0.805 . . . . 99.99 108.825 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.591 HG22 ' SD ' ' A' ' 94' ' ' MET . 66.9 t -81.31 -52.11 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.607 0.763 . . . . 99.99 110.597 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.5 m -144.35 154.55 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.953 0.501 . . . . 99.99 110.328 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.15 18.55 31.07 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 115.952 -0.567 . . . . 99.99 113.238 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.49 123.84 30.13 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.047 0.539 . . . . 99.99 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 90.9 m -147.05 136.77 23.04 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.924 1.29 . . . . 99.99 108.493 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.13 -72.29 0.73 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.42 0.688 . . . . 99.99 111.608 -169.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 77.67 -53.22 0.53 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.403 1.881 . . . . 99.99 112.156 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.591 HG23 ' H ' ' E' ' 459' ' ' ASP . 1.9 t -77.64 -76.77 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.398 0.679 . . . . 99.99 112.17 -170.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . 0.591 ' H ' HG23 ' E' ' 458' ' ' THR . 23.8 t70 179.59 126.56 0.07 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.942 1.697 . . . . 99.99 106.94 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.408 HD23 ' H ' ' E' ' 460' ' ' LEU . 1.6 pt? -63.34 -64.86 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.582 1.153 . . . . 99.99 112.679 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -175.81 21.65 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.901 0.88 . . . . 99.99 110.521 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.84 -114.37 0.21 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 -170.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.9 t 177.16 147.8 0.12 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.585 1.154 . . . . 99.99 109.147 -176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.695 ' SD ' HD13 ' A' ' 42' ' ' LEU . 34.9 tpp -160.02 112.64 2.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.041 0.536 . . . . 99.99 110.346 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -172.34 106.19 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.96 1.304 . . . . 99.99 109.576 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -95.15 143.46 26.56 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.652 -0.87 . . . . 99.99 108.652 169.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -147.37 43.22 1.11 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.557 0.694 . . . . 99.99 109.728 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' E' ' 135' ' ' VAL . 2.7 pp -60.97 -29.03 69.42 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.692 -1.14 . . . . 99.99 113.442 -175.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 70.98 100.77 0.05 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.424 -0.67 . . . . 99.99 111.424 -176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 87.9 mt -60.8 98.11 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.168 0.587 . . . . 99.99 109.976 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.448 ' HD2' ' HA ' ' E' ' 426' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.703 0 C-N-CA 124.403 1.081 . . . . 99.99 108.931 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.693 -0.484 . . . . 99.99 109.693 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -65.83 -61.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.534 0.734 . . . . 99.99 110.499 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -158.65 151.68 22.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.446 0.698 . . . . 99.99 110.5 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.21 16.68 19.06 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 169.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.89 -79.07 0.15 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.315 1.046 . . . . 99.99 109.4 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 23.0 m120 50.05 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.253 1.421 . . . . 99.99 113.162 171.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' C' ' 149' ' ' THR . 11.9 m 54.51 -94.39 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 125.184 1.393 . . . . 99.99 111.451 -173.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 46.12 54.59 8.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.748 1.219 . . . . 99.99 112.222 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.432 ' HB3' HG23 ' A' ' 89' ' ' ILE . 24.0 ptt? -85.36 168.26 14.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.345 -1.298 . . . . 99.99 111.591 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -140.34 140.09 35.52 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.084 0.953 . . . . 99.99 109.258 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.586 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.2 t80 -138.62 134.64 33.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.601 0.76 . . . . 99.99 110.266 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -156.8 117.43 3.63 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.015 0.926 . . . . 99.99 109.203 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.486 HG12 ' HD2' ' A' ' 84' ' ' PHE . 44.4 mt -75.02 124.69 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 123.025 0.53 . . . . 63.61 109.7 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -88.56 -40.0 13.71 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.493 0.717 . . . . 99.99 110.95 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -172.89 130.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.272 -0.422 . . . . 87.02 110.29 -167.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -124.09 130.0 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.803 -0.814 . . . . 27.8 108.803 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 12.6 p90 -163.12 169.8 18.84 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.333 1.053 . . . . 37.37 110.15 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -94.35 115.84 28.12 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.677 -0.49 . . . . 12.57 109.677 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 36.0 mtpt -80.7 -26.13 37.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.357 -0.383 . . . . 37.56 110.012 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 20.7 t70 -155.65 151.52 27.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.945 0.898 . . . . 38.09 110.427 176.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.5 mt -143.54 146.37 21.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 126.099 1.76 . . . . 5.43 107.02 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 t -151.76 149.54 29.16 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.492 0.663 . . . . 6.92 110.545 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 83.8 t80 -150.66 114.16 4.92 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 106.356 -1.72 . . . . 5.61 106.356 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -121.1 108.95 14.43 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.648 -0.501 . . . . 36.27 109.648 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -120.18 81.01 28.35 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.188 -0.671 . . . . 12.68 109.188 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.67 -39.2 9.31 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.487 2.124 . . . . 32.78 111.807 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -100.74 35.14 2.24 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 80.05 109.95 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -59.61 -48.7 94.88 Favored Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 123.311 0.644 . . . . 31.49 111.747 173.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 43.3 Cg_endo -95.09 -14.54 0.63 Allowed 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.059 1.839 . . . . 44.68 113.292 171.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -83.79 -9.86 58.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.613 0.765 . . . . 99.99 110.786 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 8.2 p -61.45 -12.22 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.29 1.036 . . . . 99.99 112.122 176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.22 -37.18 76.88 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.974 0.91 . . . . 99.99 111.274 170.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -76.11 -29.12 57.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.497 0.719 . . . . 99.99 110.674 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 27.5 mmmt -83.02 151.52 25.79 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.154 0.582 . . . . 99.99 110.887 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.33 140.98 29.56 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.233 -1.025 . . . . 99.99 108.233 167.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -83.06 78.06 9.64 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.48 0.657 . . . . 99.99 110.169 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 59.57 5.57 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 170.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' HD23 ' E' ' 470' ' ' LEU . 5.5 Cg_endo -83.47 142.39 10.49 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.096 1.864 . . . . 57.34 111.083 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.97 122.65 37.84 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.253 -1.388 . . . . 99.99 107.253 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 65' ' ' THR . 93.3 t -89.33 100.19 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.564 0.746 . . . . 48.36 109.012 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HE2' ' HB3' ' E' ' 437' ' ' SER . 44.8 tttm -79.09 115.44 18.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.689 0.796 . . . . 99.99 109.127 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' E' ' 467' ' ' ALA . 52.5 tp -98.87 111.73 24.04 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 109.401 -0.592 . . . . 97.85 109.401 176.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 18.2 t70 -103.6 138.85 39.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.389 1.076 . . . . 85.15 108.961 175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' E' ' 460' ' ' LEU . 78.1 mt -128.99 121.19 27.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.757 0.823 . . . . 99.99 109.047 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.55 131.21 24.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.316 1.046 . . . . 78.84 109.026 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -119.44 146.53 45.31 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.355 0.662 . . . . 43.33 110.717 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 61' ' ' ARG . . . -129.41 153.67 47.69 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.558 1.143 . . . . 41.53 108.584 172.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' HB2' ' HB ' ' E' ' 452' ' ' VAL . 68.9 p -134.29 153.19 52.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.916 0.486 . . . . 88.8 109.966 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.5 t -148.66 124.35 10.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.665 0.786 . . . . 73.87 109.448 -173.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -77.74 108.01 10.65 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 109.749 -0.463 . . . . 99.99 109.749 176.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.99 -31.18 23.65 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.839 -0.619 . . . . 99.99 109.977 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -162.8 178.9 8.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.028 0.931 . . . . 99.99 110.432 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -67.37 127.17 31.68 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 170.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 70.42 -9.06 0.81 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 125.577 1.551 . . . . 99.99 112.805 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 48.1 t -109.43 104.75 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 108.81 -0.811 . . . . 99.99 108.81 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.533 ' HB3' HG11 ' E' ' 452' ' ' VAL . 67.1 m-85 -127.87 124.96 38.76 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.137 0.575 . . . . 99.99 109.583 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.03 141.36 28.55 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.108 0.963 . . . . 57.04 109.689 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HB ' ' HE1' ' A' ' 84' ' ' PHE . 71.4 t -124.63 119.31 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.888 -1.152 . . . . 54.22 107.888 173.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 42.3 t -100.18 136.57 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.47 0.708 . . . . 29.36 109.564 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.98 118.54 35.14 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.728 -0.841 . . . . 19.86 108.728 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HG3' ' HG2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -95.11 111.6 23.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 169.043 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' A' ' 114' ' ' ILE . 33.9 t -109.09 112.55 40.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 107.444 -1.317 . . . . 13.6 107.444 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 4.4 m -116.61 107.43 14.71 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.925 -0.768 . . . . 17.22 108.925 -168.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 59.3 t -103.37 105.83 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.135 0.974 . . . . 14.92 108.436 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 27.9 m -111.43 135.73 51.58 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.887 -0.783 . . . . 21.43 108.887 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.32 124.65 27.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.179 -1.045 . . . . 23.61 108.179 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -141.87 152.03 43.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.026 0.53 . . . . 57.75 111.12 -176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.72 87.35 2.48 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 106.538 -1.653 . . . . 99.99 106.538 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.6 -125.34 8.0 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 111.288 -0.725 . . . . 93.1 111.288 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG22 ' E' ' 165' ' ' THR . 6.8 tm-20 -89.13 -23.58 22.43 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.976 0.893 . . . . 99.99 108.609 176.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -85.25 114.13 22.11 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.889 1.275 . . . . 99.99 110.18 -171.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.13 123.73 26.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 109.825 -0.435 . . . . 30.12 109.825 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.74 13.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.795 0.838 . . . . 22.88 109.413 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.42 161.15 30.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.087 -1.415 . . . . 30.01 110.008 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 76' ' ' CYS . 19.9 tp -141.73 144.95 34.29 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.801 1.24 . . . . 14.44 108.237 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 57.1 m -138.22 139.76 39.41 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.633 1.173 . . . . 14.43 108.095 174.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -147.37 121.18 9.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.219 -1.03 . . . . 35.14 108.219 168.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.06 112.44 34.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.912 -0.773 . . . . 9.47 108.912 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 66.5 mt-30 -84.73 85.73 7.41 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.95 0.781 . . . . 43.33 109.183 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.2 98.96 9.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.681 -1.145 . . . . 15.31 107.96 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -95.5 143.93 16.93 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 111.898 -0.481 . . . . 20.02 111.898 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.545 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -141.9 125.44 2.71 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 -176.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -82.02 125.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.665 -0.865 . . . . 66.87 108.665 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.586 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 42.6 m-85 -130.15 119.17 22.57 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.851 -0.425 . . . . 77.52 109.851 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 m -77.32 92.37 3.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 172.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.3 141.32 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.96 0.904 . . . . 99.99 110.823 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.22 170.94 3.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.742 1.217 . . . . 99.99 109.813 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.28 59.38 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.655 0.597 . . . . 99.99 112.559 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 9' ' ' MET . 1.3 pp -132.09 139.49 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.77 0.828 . . . . 99.99 111.204 -172.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -134.36 173.73 11.3 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.839 0.855 . . . . 99.99 110.878 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.49 7.89 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 115.319 -0.855 . . . . 99.99 114.882 172.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.6 t -77.85 -35.98 50.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 99.99 110.815 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 96' ' ' HIS . 47.9 tp60 -68.97 -36.2 77.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.965 0.506 . . . . 99.99 111.408 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 23.0 ptm -66.26 -43.92 85.13 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 172.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.62 66.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.745 0.818 . . . . 99.99 111.725 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 93' ' ' GLN . 57.6 m-70 -65.86 -47.64 74.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.885 -0.598 . . . . 99.99 109.992 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.4 t -69.88 -65.57 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.508 0.505 . . . . 99.99 110.987 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD22 HG12 ' E' ' 452' ' ' VAL . 2.7 pp -72.76 -16.38 61.64 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.582 0.956 . . . . 99.99 113.582 -173.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.25 -28.63 6.72 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 119.376 -0.68 . . . . 99.99 114.426 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -47.13 0.68 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.98 0.89 . . . . 95.56 112.047 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 39.0 t80 -68.05 -61.91 1.65 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.225 1.01 . . . . 94.48 111.983 -171.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 67.5 m -60.88 -44.77 95.89 Favored Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 123.803 0.841 . . . . 73.2 112.595 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -62.14 -24.3 76.25 Favored 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 121.712 1.608 . . . . 48.9 113.499 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 28.5 t-20 -71.57 -32.15 67.75 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.56 0.618 . . . . 94.19 110.544 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.5 -27.61 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 123.105 0.562 . . . . 55.88 110.002 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' HA3' ' A' ' 82' ' ' GLY . 73.0 mt -72.4 -26.02 61.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.443 0.697 . . . . 21.71 111.471 170.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -65.78 -37.32 17.64 Favored Pre-proline 0 CA--C 1.561 1.401 0 CA-C-O 116.728 -1.606 . . . . 15.39 114.2 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 104' ' ' ASN . 53.1 Cg_exo -59.57 -35.72 94.73 Favored 'Trans proline' 0 C--N 1.387 2.554 0 CA-C-N 123.001 2.108 . . . . 9.95 113.356 172.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -73.77 -42.47 61.01 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.309 0.644 . . . . 20.66 110.659 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.2 81.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.903 0.481 . . . . 7.34 110.574 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -58.29 -49.33 77.55 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.482 1.113 . . . . 15.45 109.917 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.2 -44.99 93.77 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 124.677 1.235 . . . . 46.26 111.014 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' MET . 44.0 t -61.84 -45.58 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.103 0.877 . . . . 4.41 110.611 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.4 HD11 ' HB ' ' A' ' 62' ' ' VAL . 95.6 mt -63.2 -50.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.65 0.78 . . . . 7.34 110.358 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 125' ' ' GLN . 56.7 m -52.2 -43.1 64.04 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.346 1.029 . . . . 7.28 110.239 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.5 t -68.26 -42.86 79.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.3 -1.318 . . . . 4.96 110.387 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 31.7 mmt -68.39 -39.28 81.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.543 0.337 . . . . 48.88 111.453 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.65 -39.79 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.64 0.776 . . . . 26.6 110.092 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.8 t -69.91 -38.2 76.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.452 0.701 . . . . 17.97 111.415 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -69.42 -29.65 67.42 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.216 0.607 . . . . 8.38 109.683 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 18' ' ' THR . . . -81.44 6.69 63.57 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.772 -0.649 . . . . 6.18 113.91 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER 64.27 12.19 6.97 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.548 1.939 . . . . 20.1 113.065 178.114 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -87.7 154.46 53.25 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 124.035 0.934 . . . . 13.71 109.353 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.12 113.31 1.6 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.624 2.216 . . . . 20.05 112.304 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 115' ' ' THR . 13.2 pt20 -63.28 158.22 20.82 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.227 0.611 . . . . 39.31 111.686 -176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.2 tp -134.82 116.58 14.97 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.965 0.906 . . . . 56.76 109.79 -174.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.44 ' ND2' ' HB ' ' C' ' 16' ' ' ILE . 8.0 m120 -99.66 81.76 2.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.011 -1.107 . . . . 38.41 108.011 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.41 134.25 53.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.402 0.281 . . . . 62.97 110.552 -169.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 130' ' ' PRO . . . -59.74 142.29 88.23 Favored Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 124.089 0.956 . . . . 56.46 113.047 -171.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 129' ' ' ALA . 24.0 Cg_exo -65.52 99.28 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 123.443 2.762 . . . . 77.42 112.303 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 111.94 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.28 0.632 . . . . 99.99 111.322 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -109.79 108.1 18.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.789 0.836 . . . . 99.99 109.908 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -73.4 -16.22 61.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.144 0.497 . . . . 99.99 111.362 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.28 -33.2 75.42 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.806 0.842 . . . . 99.99 111.051 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.55 -51.87 67.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.77 0.828 . . . . 99.99 112.735 -172.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.667 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.06 -26.88 65.19 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 111.773 0.286 . . . . 99.99 111.773 -177.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.76 -26.56 44.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.815 0.446 . . . . 99.99 111.779 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.4 mmt -65.72 -39.76 91.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.663 -0.495 . . . . 99.99 109.663 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 85.5 m-20 -63.05 -35.57 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 124.403 1.064 . . . . 99.99 111.477 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -80.44 -42.01 23.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.241 0.617 . . . . 99.99 111.275 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.52 -40.88 85.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.471 0.709 . . . . 99.99 111.771 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' C' ' 150' ' ' GLU . 59.3 tp60 -157.51 -13.23 0.08 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.578 0.584 . . . . 99.99 112.578 -170.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 51.3 tp60 62.08 -168.27 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.371 0.668 . . . . 99.99 109.298 -168.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 143' ' ' GLN . 29.6 tt0 -55.51 134.23 50.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 166.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.93 52.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.04 1.336 . . . . 99.99 113.171 -167.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.95 57.28 0.06 OUTLIER Glycine 0 N--CA 1.471 1.004 0 CA-C-N 116.505 -0.316 . . . . 99.99 112.442 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.73 -46.75 29.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.375 0.67 . . . . 99.99 110.285 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.9 138.59 3.73 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.532 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 29.9 m -71.32 -39.05 71.64 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.139 0.576 . . . . 99.99 110.058 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -77.77 -58.43 3.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.81 0.844 . . . . 99.99 109.164 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.49 -54.63 44.36 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.098 0.959 . . . . 99.99 112.23 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.9 t60 62.41 37.21 13.77 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.26 1.024 . . . . 99.99 110.909 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 63.67 -82.78 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.087 1.355 . . . . 99.99 111.768 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -142.72 -66.31 0.39 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.615 0.766 . . . . 99.99 109.004 -175.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 CA-C-O 118.692 -0.67 . . . . 99.99 111.143 -179.795 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.47 ' SD ' ' HG2' ' E' ' 404' ' ' LYS . 57.9 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 108.48 -0.933 . . . . 99.99 108.48 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 64.5 100.04 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.384 1.073 . . . . 99.99 110.921 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HG2' HD13 ' E' ' 408' ' ' LEU . 28.9 mm-40 -88.67 5.84 41.27 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.477 0.547 . . . . 99.99 112.477 -170.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 71.03 5.4 5.47 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.186 1.394 . . . . 99.99 113.028 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 19.0 m120 63.8 -70.47 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.16 1.384 . . . . 99.99 111.908 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 64.75 21.67 12.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.734 1.213 . . . . 99.99 111.63 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.8 m -138.71 147.04 42.26 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.7 0.8 . . . . 99.99 110.032 -172.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -67.49 91.14 0.26 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.021 0.929 . . . . 99.99 109.455 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' B' ' 10' ' ' THR . 1.0 OUTLIER 65.93 170.38 0.22 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.884 1.274 . . . . 99.99 109.838 -170.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 87.3 m -135.27 118.8 16.93 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.049 -1.032 . . . . 99.99 108.629 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.567 ' HZ ' ' HG ' ' B' ' 102' ' ' CYS . 0.9 OUTLIER -138.22 122.82 18.57 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.356 -0.979 . . . . 93.55 108.356 178.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.33 140.78 19.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.412 0.685 . . . . 99.99 109.99 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.492 ' HA ' ' HD1' ' B' ' 84' ' ' PHE . 25.9 mm -88.32 115.24 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 N-CA-C 108.913 -0.773 . . . . 40.88 108.913 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -96.4 -51.21 4.45 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.35 0.26 . . . . 85.25 110.572 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -163.2 147.33 10.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.606 0.362 . . . . 95.33 110.97 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 70.5 mt -124.01 138.2 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.646 1.178 . . . . 13.6 108.076 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 33.4 p90 -171.52 161.13 6.17 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.567 0.699 . . . . 23.1 112.363 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.445 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 45.9 m -84.72 131.13 34.61 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.604 1.162 . . . . 6.51 109.83 171.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HD2' ' HA3' ' B' ' 81' ' ' GLY . 35.8 mtpt -100.11 -40.66 7.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.337 0.655 . . . . 19.94 111.091 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 15.5 t70 -145.79 137.33 25.02 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.96 -1.018 . . . . 37.8 110.18 -166.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.6 mm -137.44 141.37 39.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.724 1.21 . . . . 5.14 108.998 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -142.85 124.28 14.76 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.58 1.152 . . . . 19.25 108.042 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 83.4 t80 -134.52 116.12 14.7 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.595 -1.261 . . . . 9.84 107.595 169.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -117.88 142.15 47.64 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.91 0.884 . . . . 50.65 108.617 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -134.09 83.01 46.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.048 -1.464 . . . . 18.09 107.048 173.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.15 -38.88 33.83 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.653 2.235 . . . . 31.77 111.775 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -107.74 29.33 7.33 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.274 1.03 . . . . 49.39 110.276 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.653 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.07 -45.74 75.09 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.835 1.254 . . . . 51.5 114.106 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -65.18 -38.83 25.74 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 121.584 1.522 . . . . 70.98 114.375 170.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -61.76 -43.03 99.65 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 123.063 0.545 . . . . 99.99 112.074 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' B' ' 123' ' ' PHE . 31.4 m -70.1 -5.14 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.107 0.78 . . . . 99.99 113.107 -173.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.48 -42.0 86.58 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.729 0.812 . . . . 99.99 110.968 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -84.54 -7.12 59.37 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.989 0.515 . . . . 99.99 111.808 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -103.96 96.44 6.68 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.375 0.67 . . . . 98.87 110.911 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -116.14 93.69 4.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.737 0.815 . . . . 99.99 110.205 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -163.87 -178.62 5.79 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.358 1.063 . . . . 99.99 109.559 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.81 113.31 28.77 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.614 0.765 . . . . 99.99 109.761 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.39 154.12 40.45 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.381 2.054 . . . . 63.52 113.513 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 35.7 tt0 -72.71 118.82 16.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.597 0.759 . . . . 99.99 109.55 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -104.83 144.15 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-O 121.099 0.476 . . . . 72.1 111.382 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.513 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 31.3 mmtp -132.14 133.37 44.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.263 1.425 . . . . 99.99 108.243 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -127.3 136.23 51.66 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.392 0.542 . . . . 96.73 109.549 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.11 153.98 51.01 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.617 1.167 . . . . 92.63 108.606 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.84 142.33 51.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.876 0.47 . . . . 67.27 110.583 -169.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.51 ' HB2' ' HD3' ' B' ' 61' ' ' ARG . 3.4 m-20 -142.82 158.17 43.9 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.701 1.201 . . . . 58.71 109.478 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.7 t -133.65 145.47 49.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.811 0.845 . . . . 66.97 110.09 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.12 147.48 26.51 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.136 0.975 . . . . 35.64 109.316 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 36.7 t -144.52 167.63 22.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.808 0.443 . . . . 74.75 111.173 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 89.2 p -158.83 142.28 14.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.973 0.909 . . . . 43.74 110.13 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -87.37 132.67 33.89 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.667 0.387 . . . . 89.61 110.361 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.7 mt -102.0 -46.5 4.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.855 0.862 . . . . 71.01 110.242 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.39 -165.06 1.71 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.659 -0.701 . . . . 85.91 111.2 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.12 104.04 0.34 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.493 1.117 . . . . 99.99 110.667 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.4 7.74 3.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.628 1.171 . . . . 99.99 112.221 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 91.3 t -101.39 112.21 33.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.169 -1.419 . . . . 76.71 107.169 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 75.3 m-85 -118.71 169.96 9.38 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.954 -1.021 . . . . 98.07 108.566 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.441 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.3 tm-20 -136.05 118.88 16.2 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.463 -1.68 . . . . 46.84 106.463 176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.85 144.56 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 57.34 109.774 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -119.27 145.05 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.823 0.849 . . . . 21.57 110.092 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -119.06 105.32 11.3 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.202 -1.036 . . . . 62.33 108.202 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.51 ' HD3' ' HB2' ' B' ' 45' ' ' ASP . 60.0 ttt-85 -92.11 123.18 35.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.288 0.566 . . . . 95.32 110.594 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.95 104.29 15.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.863 1.265 . . . . 14.84 108.128 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.7 t -102.88 133.29 48.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.24 -0.652 . . . . 28.15 109.24 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 82.6 t -127.31 137.66 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 125.037 1.335 . . . . 18.14 109.034 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 82.7 m -125.05 149.57 47.66 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.755 1.222 . . . . 24.35 108.881 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.59 147.58 30.22 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.501 0.72 . . . . 26.44 109.538 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.571 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 16.6 p -145.74 126.46 14.32 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.493 0.496 . . . . 56.64 112.107 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.66 104.78 14.86 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.447 1.099 . . . . 62.67 108.052 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.93 -139.54 18.59 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-N 115.61 -0.723 . . . . 81.37 112.441 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.92 1.81 48.52 Favored 'General case' 0 CA--C 1.556 1.212 0 C-N-CA 123.567 0.747 . . . . 99.99 112.013 -175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.98 162.63 31.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.11 0.564 . . . . 99.99 111.316 -173.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.403 HG21 HD21 ' B' ' 75' ' ' LEU . 59.3 m -75.04 125.6 29.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.499 -0.773 . . . . 33.32 111.219 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.571 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -80.15 -59.73 2.6 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.317 1.047 . . . . 25.99 108.611 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -149.07 164.71 33.86 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.039 0.923 . . . . 18.76 112.838 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 57.8 mt -132.23 112.66 12.44 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.717 -1.957 . . . . 16.93 105.717 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.8 t -119.05 136.34 54.18 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.381 -0.6 . . . . 12.76 109.381 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -154.74 134.9 13.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.969 0.414 . . . . 30.38 110.571 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.3 t -134.87 146.42 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 C-N-CA 124.079 0.952 . . . . 8.91 109.121 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 27.6 mt-30 -124.58 99.05 6.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.465 -0.939 . . . . 33.15 108.465 171.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.7 tp-100 -89.3 106.64 18.58 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.438 -0.801 . . . . 11.26 109.107 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.538 ' HA3' ' HD2' ' B' ' 19' ' ' LYS . . . -98.74 147.24 18.46 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 115.718 -0.673 . . . . 11.78 111.562 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.73 126.46 3.76 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.754 -0.938 . . . . 23.01 110.754 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.455 HG13 ' HE1' ' B' ' 17' ' ' TYR . 67.8 mt -84.47 125.24 40.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 107.38 -1.341 . . . . 39.34 107.38 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.492 ' HD1' ' HA ' ' B' ' 13' ' ' ILE . 40.4 m-85 -142.09 145.64 34.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.224 -1.028 . . . . 63.88 108.224 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -88.15 91.67 8.86 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 106.749 -1.575 . . . . 82.93 106.749 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' B' ' 10' ' ' THR . 12.8 pt -135.36 104.64 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.662 0.785 . . . . 98.2 111.234 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -151.67 160.09 43.76 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.054 0.542 . . . . 99.99 111.109 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.62 -29.36 10.53 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 115.726 -0.67 . . . . 99.99 113.732 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 14.2 tt -82.98 160.28 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.324 0.65 . . . . 99.99 110.81 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.646 ' HA ' ' HB1' ' E' ' 21' ' ' ALA . 31.3 tt0 -150.4 142.18 23.72 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.152 0.427 . . . . 99.99 112.152 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.35 -111.53 3.25 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 116.483 1.353 . . . . 99.99 116.483 162.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.3 m -70.69 -43.05 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.948 . . . . 99.99 111.614 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -69.72 -34.23 73.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.189 0.596 . . . . 99.99 109.953 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.483 ' HG3' HD12 ' B' ' 98' ' ' LEU . 12.6 ttt -65.14 -39.15 92.62 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.545 -0.752 . . . . 99.99 111.149 173.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.42 66.8 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.627 0.771 . . . . 99.99 111.713 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -92.65 -37.65 12.3 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.999 0.52 . . . . 99.99 111.214 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 t -71.57 -65.08 0.8 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.078 0.466 . . . . 99.99 110.967 -176.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.607 HD23 ' SG ' ' B' ' 102' ' ' CYS . 87.5 mt -81.24 -18.7 45.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.169 0.587 . . . . 71.23 111.452 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.86 -37.94 15.01 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 123.307 0.38 . . . . 59.87 113.271 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.08 -59.01 2.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.985 0.514 . . . . 71.19 111.579 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.36 -53.29 59.44 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.971 0.508 . . . . 99.99 112.328 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.607 ' SG ' HD23 ' B' ' 98' ' ' LEU . 36.6 m -64.0 -44.7 79.11 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 112.838 0.681 . . . . 50.37 112.838 -174.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -50.93 -30.48 30.68 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 122.678 2.252 . . . . 36.29 114.717 168.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -32.66 73.44 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.673 0.67 . . . . 87.59 111.772 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.9 mt -79.06 -40.83 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.551 0.74 . . . . 37.19 110.52 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.79 -13.74 53.09 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.194 0.598 . . . . 13.07 112.248 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -62.44 -54.79 45.52 Favored Pre-proline 0 N--CA 1.484 1.239 0 CA-C-O 117.635 -1.174 . . . . 99.99 113.276 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.83 -31.05 91.42 Favored 'Trans proline' 0 C--N 1.386 2.546 0 C-N-CA 121.956 1.771 . . . . 10.37 113.393 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -76.58 -46.84 24.55 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.687 0.795 . . . . 12.29 111.129 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.77 -41.98 99.48 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 120.972 0.415 . . . . 8.75 110.634 176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -58.86 -51.93 67.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.255 1.422 . . . . 59.14 111.455 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.1 -35.6 81.65 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.785 0.678 . . . . 51.9 109.931 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 5.7 t -70.59 -32.6 70.04 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.046 0.538 . . . . 13.3 111.203 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.574 HG23 ' SG ' ' B' ' 76' ' ' CYS . 33.9 mt -66.08 -51.49 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 109.525 -0.546 . . . . 9.86 109.525 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . 0.425 HG21 ' OG ' ' C' ' 119' ' ' SER . 25.7 m -61.4 -30.18 70.39 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.439 0.695 . . . . 13.13 111.37 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 36.6 t -67.08 -45.68 76.55 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.363 0.665 . . . . 8.02 110.543 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.582 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 34.2 mmt -59.3 -46.9 87.3 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.266 0.555 . . . . 26.78 111.104 178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 114' ' ' ILE . 64.4 t -62.25 -40.98 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 114.407 -1.27 . . . . 13.3 110.948 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . 0.652 ' HA ' HE22 ' C' ' 125' ' ' GLN . 78.7 p -72.17 -27.5 62.62 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.615 0.598 . . . . 29.79 112.615 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -72.17 -36.82 69.4 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.046 0.538 . . . . 11.55 110.563 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.19 7.77 59.55 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.48 0.487 . . . . 16.97 113.425 173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 32.0 p 63.69 20.15 12.08 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.554 1.942 . . . . 23.15 112.692 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' B' ' 31' ' ' VAL . 73.2 m-85 -87.62 150.71 49.11 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.275 1.03 . . . . 23.84 110.958 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.4 145.75 96.98 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.635 2.89 . . . . 29.89 113.836 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.489 HE22 HG23 ' C' ' 118' ' ' VAL . 46.3 mt-30 -50.5 142.35 10.8 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.305 1.042 . . . . 99.99 113.256 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.415 HD11 HD13 ' E' ' 6' ' ' ILE . 0.4 OUTLIER -131.57 92.91 3.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 106.524 -1.658 . . . . 72.13 106.524 170.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.03 122.1 34.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.584 0.754 . . . . 73.04 109.448 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 63.4 mt -81.93 128.49 34.11 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.883 -0.599 . . . . 90.81 109.63 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.76 151.37 58.01 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.656 0.382 . . . . 43.15 110.174 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -61.54 142.74 95.9 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.24 1.96 . . . . 61.27 111.193 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.495 ' HA ' HG11 ' E' ' 306' ' ' VAL . 35.7 m -118.34 146.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.754 0.422 . . . . 99.57 110.966 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -92.18 71.68 5.38 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.832 0.825 . . . . 99.99 108.81 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.521 ' HE2' ' HA ' ' E' ' 10' ' ' LEU . 69.0 t80 -71.3 -19.43 62.33 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.379 -0.828 . . . . 99.99 110.149 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.44 -45.92 56.26 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.965 1.306 . . . . 99.99 110.668 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.35 68.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.56 -1.2 . . . . 99.99 112.665 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.33 -56.08 16.89 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.884 0.874 . . . . 99.99 109.994 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -80.68 -12.93 59.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.84 0.456 . . . . 99.99 111.767 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.67 -17.09 64.02 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.917 0.487 . . . . 99.99 111.23 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -73.6 -17.54 61.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.361 0.264 . . . . 99.99 110.572 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . 0.484 ' OH ' ' HA ' ' E' ' 30' ' ' GLU . 57.7 t80 -78.39 -41.7 32.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.375 -0.602 . . . . 99.99 109.375 170.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.72 -5.76 47.26 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.096 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.52 92.35 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.776 0.831 . . . . 99.99 109.194 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' E' ' 37' ' ' ASP . 58.1 tp60 -94.56 151.66 19.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.389 0.676 . . . . 99.99 109.625 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.58 -59.71 4.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.611 0.765 . . . . 99.99 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' E' ' 45' ' ' ARG . . . -145.5 13.28 1.37 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.538 -0.755 . . . . 99.99 112.028 -170.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' E' ' 37' ' ' ASP . . . 70.3 144.75 0.25 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 113.868 0.307 . . . . 99.99 113.868 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -153.67 103.04 2.59 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 117.658 0.729 . . . . 99.99 111.091 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.48 107.07 3.37 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.1 m -74.23 146.12 43.55 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.55 0.74 . . . . 99.99 110.423 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.507 ' HG2' ' H ' ' B' ' 151' ' ' GLU . 20.1 tt0 60.83 -150.7 0.41 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.055 0.942 . . . . 99.99 109.211 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.507 ' H ' ' HG2' ' B' ' 150' ' ' GLU . 35.1 tt0 71.62 -68.17 0.23 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.866 1.267 . . . . 99.99 112.371 173.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.407 ' HB3' ' OE1' ' E' ' 51' ' ' GLN . 8.8 p80 -106.2 95.18 5.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.85 1.26 . . . . 99.99 109.858 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -168.49 140.97 2.87 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.775 0.83 . . . . 99.99 110.206 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -168.17 118.73 0.79 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.236 1.014 . . . . 99.99 108.587 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' E' ' 376' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.729 -0.841 . . . . 99.99 108.729 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.234 0.087 . . . . 99.99 111.234 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m 61.51 -77.8 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.297 1.439 . . . . 99.99 111.242 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -74.61 -12.73 60.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.147 0.979 . . . . 99.99 111.434 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 70.59 18.91 6.32 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.378 1.471 . . . . 99.99 110.314 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -126.84 149.19 49.85 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.654 1.182 . . . . 99.99 108.123 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -87.3 19.01 3.4 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.595 0.758 . . . . 99.99 112.113 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.2 m 58.41 93.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.167 . . . . 99.99 111.076 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -82.28 66.38 7.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.593 0.757 . . . . 99.99 110.024 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.457 ' SD ' ' HG3' ' C' ' 94' ' ' MET . 3.3 mpp? 62.45 157.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.316 1.846 . . . . 99.99 114.34 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 32.1 m -104.58 104.46 14.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.578 -1.192 . . . . 99.99 108.5 174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' C' ' 85' ' ' SER . 78.1 m-85 -94.51 140.54 29.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.18 0.592 . . . . 99.99 110.958 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 57.3 tp60 -141.27 109.38 5.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.621 -1.251 . . . . 99.99 107.621 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.565 HD12 ' H ' ' C' ' 13' ' ' ILE . 3.2 mp -66.97 138.76 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.73 -0.841 . . . . 56.3 108.73 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.599 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 83.9 mm-40 -108.76 -50.09 3.06 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.492 0.717 . . . . 93.16 109.168 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 163.1 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.827 1.251 . . . . 99.99 109.901 173.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.44 ' HB ' ' ND2' ' A' ' 127' ' ' ASN . 62.4 mt -126.36 143.4 39.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 124.425 1.09 . . . . 11.74 108.489 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -169.76 160.62 8.78 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.838 0.711 . . . . 19.28 110.764 -172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -82.77 111.52 18.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.62 -0.718 . . . . 6.91 109.504 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -72.69 -47.64 45.62 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.349 -0.982 . . . . 21.95 108.349 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.802 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.4 t70 -134.82 140.4 45.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.563 -1.199 . . . . 50.62 110.323 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.8 mt -135.5 146.01 30.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 126.099 1.76 . . . . 5.12 106.827 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -159.59 151.78 20.88 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.343 0.657 . . . . 9.28 109.49 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -153.67 125.11 7.55 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 107.044 -1.465 . . . . 8.82 107.044 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 42.7 mt-10 -115.56 151.42 34.93 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.739 -0.837 . . . . 30.58 108.739 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -147.36 84.97 6.97 Favored Pre-proline 0 C--O 1.239 0.509 0 N-CA-C 107.905 -1.146 . . . . 12.04 107.905 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.13 -25.07 27.29 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.499 2.133 . . . . 30.41 111.864 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -116.03 39.16 3.13 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 124.094 0.958 . . . . 61.38 109.689 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.563 ' HA ' ' HZ ' ' C' ' 123' ' ' PHE . . . -58.11 -50.88 85.62 Favored Pre-proline 0 CA--C 1.561 1.384 0 CA-C-N 114.777 -1.101 . . . . 26.66 113.12 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.8 -26.15 1.67 Allowed 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 121.854 1.703 . . . . 35.22 113.116 172.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -62.15 -20.14 63.8 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.271 1.028 . . . . 48.75 112.209 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.81 -23.14 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.761 0 C-N-CA 124.418 1.087 . . . . 55.24 113.854 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -67.59 -33.35 74.83 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.014 0.525 . . . . 99.99 112.004 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.96 37.7 2.19 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.405 0.621 . . . . 97.11 109.446 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.01 146.63 48.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.689 0.795 . . . . 88.6 110.954 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . 0.436 ' O ' HD21 ' C' ' 68' ' ' LEU . 24.6 t70 -74.18 130.86 40.57 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.436 -0.95 . . . . 99.99 108.436 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.605 ' HB3' ' H ' ' E' ' 298' ' ' HIS . 74.1 m95 -85.27 62.19 7.34 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.853 0.359 . . . . 99.99 110.927 -171.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' E' ' 294' ' ' LYS . 74.2 mt-30 -154.84 78.12 4.99 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 124.347 1.059 . . . . 99.99 109.486 -176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.65 147.02 8.35 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.974 2.45 . . . . 68.93 112.636 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.32 101.86 13.96 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 170.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.4 127.39 21.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 114.746 -1.115 . . . . 87.15 109.139 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -122.93 134.05 54.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.798 1.239 . . . . 99.99 107.787 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -96.42 127.07 42.07 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.855 -0.794 . . . . 94.05 108.855 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -129.66 101.86 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.091 -1.818 . . . . 99.99 106.091 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -115.81 118.43 32.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.728 -1.212 . . . . 71.87 107.728 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' C' ' 61' ' ' ARG . 4.2 t70 -110.7 147.7 33.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.128 -1.064 . . . . 92.17 108.128 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 74.5 p -113.17 123.86 51.21 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.518 -0.919 . . . . 62.96 108.518 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' E' ' 282' ' ' ALA . . . -133.19 153.9 51.12 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.533 0.733 . . . . 35.73 109.963 -176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -167.91 156.05 8.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.075 0.95 . . . . 56.22 109.546 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -148.58 143.88 26.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.375 0.67 . . . . 43.42 109.986 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -79.6 118.26 21.28 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.58 0.752 . . . . 99.99 109.682 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' D' ' 29' ' ' PRO . 77.9 mt -85.96 -51.72 6.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.76 0.824 . . . . 61.44 110.836 -173.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.23 -171.13 3.83 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.735 -1.12 . . . . 94.06 109.406 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -64.9 117.94 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.164 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 63.47 19.48 11.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.546 1.138 . . . . 99.99 112.472 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.39 126.07 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.501 0.72 . . . . 81.86 109.516 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' HG ' ' C' ' 51' ' ' LEU . 0.5 OUTLIER -143.23 167.72 21.47 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 107.963 -1.125 . . . . 99.99 107.963 170.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' C' ' 51' ' ' LEU . 0.0 OUTLIER -111.65 151.57 28.68 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.88 -0.785 . . . . 35.21 108.88 167.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' C' ' 102' ' ' CYS . 74.9 t -98.82 129.35 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.537 -1.283 . . . . 29.6 107.537 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 48.8 t -113.05 137.45 45.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 108.004 -1.11 . . . . 20.9 108.004 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.11 99.3 5.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.291 -1.374 . . . . 69.19 107.291 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' C' ' 45' ' ' ASP . 22.4 ttm-85 -80.61 106.88 12.95 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.58 107.36 22.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 107.752 -1.203 . . . . 14.53 107.752 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.3 m -117.99 118.93 33.3 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 20.42 108.529 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.545 HG11 HD11 ' C' ' 126' ' ' LEU . 21.6 t -105.43 120.84 56.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.985 -0.746 . . . . 17.7 108.985 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -104.56 130.66 52.5 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.467 -0.568 . . . . 29.53 109.467 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.21 116.39 28.28 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.716 -1.216 . . . . 32.22 107.716 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 138.66 23.89 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.831 0.452 . . . . 59.66 110.281 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.436 HD21 ' O ' ' C' ' 35' ' ' ASP . 5.5 mp -86.58 21.71 2.09 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.999 1.319 . . . . 97.29 111.069 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.12 -105.61 1.7 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.002 -1.239 . . . . 76.35 110.002 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.23 -27.85 21.52 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.047 0.539 . . . . 99.99 110.078 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -77.99 116.16 18.26 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.921 0.888 . . . . 77.02 109.345 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.1 m -83.38 136.51 34.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.675 0.274 . . . . 37.0 110.36 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.4 1.78 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.185 -0.672 . . . . 34.06 109.185 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -172.7 178.81 2.55 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.942 0.897 . . . . 39.96 110.84 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.0 tm? -134.21 148.88 50.94 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.652 1.181 . . . . 16.54 108.232 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 46.8 t -146.26 141.74 27.66 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.95 -0.759 . . . . 10.97 108.95 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -146.05 123.87 11.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.347 0.659 . . . . 36.61 110.127 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.98 113.88 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.969 -0.752 . . . . 9.25 108.969 171.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.802 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 54.2 mt-30 -89.59 93.84 9.64 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.716 -0.846 . . . . 25.23 108.716 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -80.4 127.3 32.23 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.283 -0.871 . . . . 10.64 110.794 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.51 158.35 15.03 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.334 0.396 . . . . 10.6 112.958 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -159.87 123.32 1.22 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.715 -0.954 . . . . 19.17 110.715 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 18.0 mm -81.91 122.93 37.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.416 0.608 . . . . 30.38 109.41 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.58 123.49 26.57 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 49.62 108.524 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 51.4 m -69.21 141.21 54.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.188 -0.671 . . . . 92.15 109.188 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 tt -142.3 139.67 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.089 0.556 . . . . 99.99 110.766 -169.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.52 119.77 2.7 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.798 -1.186 . . . . 99.99 107.798 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.09 -77.88 0.07 OUTLIER Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.552 -0.619 . . . . 99.99 111.552 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.472 HD11 ' HG ' ' E' ' 277' ' ' LEU . 45.4 mm 62.03 99.72 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.203 1.001 . . . . 99.99 110.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -154.34 31.39 0.43 Allowed 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.153 0.502 . . . . 99.99 111.194 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.58 -110.46 2.99 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.623 -0.717 . . . . 99.99 114.389 168.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 50.8 p -65.47 -40.52 93.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.575 1.15 . . . . 99.99 111.515 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -43.32 99.07 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.729 0.643 . . . . 99.99 109.746 174.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.457 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 26.5 ttt -58.48 -47.5 83.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.8 -0.636 . . . . 99.99 111.076 174.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.35 -25.41 67.58 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.931 0.892 . . . . 99.99 112.48 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -69.83 -58.02 4.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.258 0.623 . . . . 99.99 110.612 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' C' ' 11' ' ' PHE . 48.9 t -66.83 -34.94 78.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.203 0.601 . . . . 99.99 111.618 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 94' ' ' MET . 0.8 OUTLIER -65.5 -38.06 88.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.051 0.94 . . . . 99.99 109.45 177.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.82 12.53 67.23 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 115.615 -0.721 . . . . 68.51 114.053 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -136.73 -63.66 0.61 Allowed 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 117.438 0.619 . . . . 56.52 111.188 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.58 -56.08 8.31 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.908 0.883 . . . . 99.99 111.143 -173.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.627 ' HB3' HG21 ' C' ' 58' ' ' VAL . 58.4 m -56.93 -50.0 90.68 Favored Pre-proline 0 CA--C 1.571 1.752 0 N-CA-C 113.891 1.071 . . . . 56.59 113.891 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.437 ' HB3' ' HZ ' ' E' ' 281' ' ' PHE . 74.5 Cg_endo -71.72 -25.27 20.67 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.282 1.988 . . . . 39.21 113.494 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.79 -38.3 90.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.612 0.765 . . . . 71.72 110.776 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.83 -41.6 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.076 -0.965 . . . . 8.71 110.51 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' C' ' 82' ' ' GLY . 66.3 mt -82.91 -25.18 32.69 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.39 -0.823 . . . . 37.06 112.382 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -52.25 -51.69 69.67 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.644 -1.17 . . . . 16.74 113.785 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.61 -35.26 97.07 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.058 1.839 . . . . 9.85 113.434 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -69.84 -43.14 72.56 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.601 0.76 . . . . 5.88 111.226 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.72 91.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.907 -0.588 . . . . 7.64 110.43 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.25 -49.42 75.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.203 1.401 . . . . 20.64 111.401 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -41.44 96.8 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.268 0.627 . . . . 38.86 110.413 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 32.7 t -61.61 -40.67 95.64 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 123.923 0.764 . . . . 13.9 111.414 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.62 -48.04 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.987 0.915 . . . . 8.58 111.414 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 17.9 m -66.0 -28.87 69.2 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.189 0.595 . . . . 8.54 110.809 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t -82.1 -34.05 29.48 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.087 0.955 . . . . 6.56 111.199 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.565 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.41 -35.2 77.3 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.117 0.567 . . . . 5.22 111.451 -174.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.489 HG23 HE22 ' B' ' 125' ' ' GLN . 34.5 m -68.53 -33.02 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 116.607 -0.27 . . . . 28.53 110.929 175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . 0.425 ' OG ' HG21 ' B' ' 115' ' ' THR . 16.8 t -67.59 -31.0 70.75 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.809 0.843 . . . . 17.6 111.336 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 88.4 mtt-85 -69.07 -36.94 78.19 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.434 -0.803 . . . . 7.72 110.063 175.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.58 7.79 60.81 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 115.802 -0.636 . . . . 10.8 113.263 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 51.4 p 58.23 28.25 16.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.328 1.851 . . . . 15.17 112.748 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.563 ' HZ ' ' HA ' ' C' ' 28' ' ' ALA . 40.9 m-85 -101.6 140.01 20.87 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.492 1.117 . . . . 24.81 108.786 170.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.41 -179.92 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 123.801 3.0 . . . . 29.42 114.882 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.652 HE22 ' HA ' ' B' ' 119' ' ' SER . 42.1 mt-30 -60.39 154.7 19.76 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.812 1.782 . . . . 72.03 115.812 -164.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.545 HD11 HG11 ' C' ' 64' ' ' VAL . 43.5 tp -145.92 84.61 1.66 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 113.086 -1.87 . . . . 59.85 107.824 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -102.45 130.91 49.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.947 . . . . 41.85 110.334 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.5 149.08 25.63 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.396 0.678 . . . . 38.57 110.012 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.42 62.84 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.569 0.747 . . . . 24.62 110.307 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.09 94.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 122.687 2.258 . . . . 24.48 112.039 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 11.0 p -98.24 127.98 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.612 0.72 . . . . 68.05 110.634 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . 0.415 ' N ' HD22 ' C' ' 132' ' ' ASN . 0.8 OUTLIER -98.62 106.69 18.99 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.149 0.979 . . . . 99.99 108.726 176.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -60.63 -26.5 67.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.786 0.835 . . . . 99.99 112.43 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.21 -28.27 69.25 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.975 0.91 . . . . 99.99 111.579 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -61.36 -23.58 65.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.489 0.716 . . . . 99.99 112.75 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.777 0.831 . . . . 99.99 109.646 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -81.4 -38.48 26.48 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.64 0.776 . . . . 99.99 111.104 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . 0.537 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 1.4 tmt? -69.03 -45.0 71.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.383 1.073 . . . . 99.99 112.356 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -35.8 80.46 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.585 0.231 . . . . 99.99 110.572 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.2 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.93 1.292 . . . . 99.99 109.542 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 93.3 mt -74.83 96.84 3.17 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . 0.506 ' NE2' ' H ' ' C' ' 142' ' ' GLN . 0.0 OUTLIER -79.79 -179.96 7.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 99.99 111.628 -173.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 70.02 -91.5 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.873 1.269 . . . . 99.99 110.434 -176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 52.6 42.53 31.51 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.417 1.087 . . . . 99.99 112.76 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 66.73 21.81 10.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.599 1.16 . . . . 99.99 112.377 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -88.02 38.76 3.15 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 116.391 -0.368 . . . . 99.99 112.543 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -83.39 -31.25 26.79 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 123.995 0.918 . . . . 99.99 109.659 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.4 84.99 0.16 Allowed Glycine 0 C--N 1.35 1.327 0 N-CA-C 110.947 -0.861 . . . . 99.99 110.947 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 12.9 t -171.77 -42.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.768 0.427 . . . . 99.99 109.99 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 142' ' ' GLN . 9.6 tp10 -72.08 -6.96 46.14 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.687 0.795 . . . . 99.99 112.213 -170.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.7 -12.42 46.45 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.15 0.98 . . . . 99.99 111.903 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . 0.417 ' HD2' ' HB2' ' C' ' 154' ' ' ASP . 64.7 t60 83.84 -34.82 0.07 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.748 1.619 . . . . 99.99 112.158 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.499 HE22 ' HB2' ' C' ' 155' ' ' ALA . 0.8 OUTLIER 74.83 -69.44 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.23 1.412 . . . . 99.99 111.035 172.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' C' ' 152' ' ' HIS . 8.6 t70 80.16 -36.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.1 1.36 . . . . 99.99 113.811 166.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.499 ' HB2' HE22 ' C' ' 153' ' ' GLN . . . . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.614 1.166 . . . . 99.99 111.903 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.425 ' SD ' ' HA2' ' E' ' 211' ' ' GLY . 1.3 tmt? . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -75.02 -147.05 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.198 0.999 . . . . 99.99 111.276 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -20.13 53.63 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.893 0.477 . . . . 99.99 110.331 168.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.31 80.66 2.4 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.412 0.685 . . . . 99.99 111.297 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -145.43 -74.96 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.37 -0.974 . . . . 99.99 108.37 166.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 64.33 174.97 0.19 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.965 1.306 . . . . 99.99 113.083 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -127.0 -52.55 1.42 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.101 0.96 . . . . 99.99 108.609 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 58.95 -166.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.149 1.38 . . . . 99.99 112.722 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' E' ' 89' ' ' GLY . 27.2 ttt -32.12 145.95 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 125.562 1.545 . . . . 99.99 113.816 165.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 50.9 p -108.76 142.8 38.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.694 0.798 . . . . 99.99 109.413 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.55 130.39 9.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.01 -0.737 . . . . 76.43 109.01 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -147.47 137.71 23.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 99.99 109.687 169.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' D' ' 105' ' ' ILE . 65.3 mt -77.67 119.83 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.433 -0.951 . . . . 41.34 108.433 171.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -92.94 -21.76 19.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.402 0.681 . . . . 79.46 111.241 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -179.84 143.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.393 0.677 . . . . 99.99 109.694 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.39 125.89 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.395 -1.335 . . . . 53.22 107.395 173.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.482 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 0.7 OUTLIER -163.5 152.59 14.4 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.494 0.553 . . . . 19.87 112.494 -165.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.5 p -82.63 104.7 13.09 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.374 -0.83 . . . . 8.43 109.126 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.7 mtpt -74.74 -26.36 59.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.26 -0.427 . . . . 36.9 110.415 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.8 t70 -154.15 151.61 29.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.222 -0.899 . . . . 36.68 110.599 176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.565 HD13 ' HE3' ' C' ' 117' ' ' MET . 96.5 mt -142.77 141.73 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.928 1.691 . . . . 4.02 107.931 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.5 t -144.31 142.12 30.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.392 1.077 . . . . 7.64 108.881 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 88.2 t80 -153.2 111.7 3.68 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 106.076 -1.824 . . . . 5.08 106.076 170.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -123.5 111.58 16.47 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.075 0.55 . . . . 28.73 109.745 -177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.806 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -116.21 80.95 10.0 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.382 -0.599 . . . . 7.19 109.382 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.96 -42.01 4.72 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.32 2.013 . . . . 13.41 111.433 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -98.18 11.01 39.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.953 -1.021 . . . . 11.97 110.883 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.806 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.36 -55.85 10.86 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 124.136 0.975 . . . . 12.01 113.606 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' C' ' 83' ' ' ILE . 72.5 Cg_endo -71.56 -26.3 20.06 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 121.201 1.267 . . . . 20.55 113.382 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -67.63 -49.36 63.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.112 0.965 . . . . 22.26 109.846 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' D' ' 73' ' ' ALA . 34.4 m -83.64 -3.98 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 113.243 0.831 . . . . 34.6 113.243 -171.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.34 -22.55 66.17 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 117.777 0.262 . . . . 32.96 111.09 172.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.81 -22.9 62.84 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.127 0.571 . . . . 99.99 111.757 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -97.31 86.0 3.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.901 1.28 . . . . 31.63 109.139 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.76 78.7 9.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.406 -0.815 . . . . 99.99 111.136 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -156.01 173.96 16.05 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.996 0.918 . . . . 49.29 109.122 168.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . 0.421 HE22 ' HB2' ' D' ' 124' ' ' PRO . 8.0 tp-100 -68.86 121.44 81.42 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 109.046 -0.724 . . . . 99.99 109.046 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.451 ' HG2' ' HE2' ' D' ' 74' ' ' PHE . 49.3 Cg_exo -57.97 144.58 94.08 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.803 2.335 . . . . 31.29 112.389 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.24 111.16 9.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.524 -0.917 . . . . 99.99 108.524 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 64' ' ' VAL . 74.0 t -100.61 110.14 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.537 -0.756 . . . . 52.79 110.422 -168.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 58.7 tttm -87.84 111.04 20.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.264 1.025 . . . . 99.99 108.825 174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.8 116.46 29.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.31 0.644 . . . . 74.77 109.872 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -134.11 139.53 45.98 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.904 -1.147 . . . . 99.99 107.904 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.99 167.18 12.0 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.879 0.371 . . . . 66.01 110.194 -173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -149.34 144.53 26.49 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 124.099 0.96 . . . . 79.72 109.162 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -106.15 142.47 35.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.59 0.709 . . . . 77.52 110.03 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.95 151.19 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.891 -1.151 . . . . 38.8 107.891 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 21.9 p -175.2 154.99 1.84 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.824 0.45 . . . . 48.36 110.854 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 69.0 p -152.33 135.27 15.59 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.283 0.633 . . . . 52.73 109.983 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -78.02 118.29 20.16 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 108.523 -0.917 . . . . 99.71 108.523 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.81 23.18 3.1 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.467 1.107 . . . . 82.32 109.262 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.0 151.89 12.69 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.003 -0.999 . . . . 96.95 111.825 -170.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.58 121.27 23.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.678 -1.147 . . . . 99.99 108.813 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 66.15 1.47 1.97 Allowed 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.41 1.084 . . . . 99.99 112.597 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.45 140.27 49.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.596 -1.631 . . . . 82.8 106.596 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -138.84 133.92 32.66 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.778 -0.452 . . . . 99.99 109.778 -170.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -87.89 118.16 27.23 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.869 -0.789 . . . . 55.89 108.869 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.61 133.74 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 108.156 -1.053 . . . . 44.56 108.156 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.562 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 54.9 t -120.53 110.66 29.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.158 0.983 . . . . 19.48 108.718 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -93.41 110.71 22.26 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.171 -1.048 . . . . 52.2 108.171 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -96.18 108.72 21.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.27 135.48 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 N-CA-C 108.05 -1.092 . . . . 9.25 108.05 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -126.42 139.06 53.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.772 0.796 . . . . 10.79 109.954 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.531 HG13 HG13 ' D' ' 40' ' ' VAL . 49.9 t -132.83 112.18 18.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 125.303 1.441 . . . . 9.72 108.273 -171.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.2 m -112.34 92.95 4.21 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.442 -1.318 . . . . 19.36 107.442 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.82 140.09 33.52 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.047 0.539 . . . . 11.33 110.393 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.562 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.4 p -149.87 131.45 14.87 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.077 0.465 . . . . 29.87 111.579 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -93.17 99.97 12.44 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.918 0.887 . . . . 24.97 108.751 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.49 -122.76 18.55 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.746 -0.661 . . . . 27.84 113.033 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 20.76 5.51 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.757 0.823 . . . . 76.3 112.016 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -148.28 144.99 27.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.683 0.393 . . . . 81.89 111.069 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -65.2 130.85 44.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.581 0.752 . . . . 11.35 111.065 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -88.34 -64.63 1.12 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.998 -1.112 . . . . 10.67 107.998 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . 0.451 ' HE2' ' HG2' ' D' ' 38' ' ' PRO . 55.0 p90 -152.67 161.13 42.97 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.633 -1.167 . . . . 7.73 110.726 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 57.5 mt -123.54 153.51 40.5 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 107.297 -1.372 . . . . 11.05 107.297 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.4 t -159.03 139.49 12.38 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.956 0.503 . . . . 12.97 109.672 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -154.96 120.55 5.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.608 0.363 . . . . 47.96 110.063 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.64 120.32 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.195 0.598 . . . . 5.05 110.156 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 22.6 mt-30 -88.97 89.25 7.9 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.988 -0.745 . . . . 21.68 108.988 171.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.437 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.7 tp-100 -81.66 96.94 7.67 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.119 -1.067 . . . . 8.01 108.119 174.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -92.41 162.49 26.95 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.116 -0.493 . . . . 11.29 112.041 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.24 11.31 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.465 -0.654 . . . . 22.6 111.465 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 76.3 mt -104.67 118.75 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 108.142 -1.058 . . . . 43.57 108.142 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.5 124.78 40.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.544 0.738 . . . . 45.01 110.256 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -84.36 133.52 34.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.405 0.682 . . . . 77.58 110.633 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 pt -139.11 144.09 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.288 -0.634 . . . . 88.57 109.288 172.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.66 168.61 17.89 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.12 0.568 . . . . 99.99 110.142 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.1 21.24 68.23 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 112.478 -0.249 . . . . 99.99 112.478 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.3 pp -138.11 156.6 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 110.286 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.78 173.34 12.46 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.503 0.721 . . . . 99.99 111.548 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.91 -141.71 24.62 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 123.622 0.63 . . . . 99.99 113.863 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -93.73 -44.31 8.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.469 0.708 . . . . 99.99 110.648 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -59.63 -18.78 44.45 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.853 1.261 . . . . 99.99 113.055 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.674 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.4 ptm -56.08 -50.74 70.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.461 0.705 . . . . 99.99 111.77 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.09 -9.79 57.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.219 1.008 . . . . 88.9 111.495 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -58.23 -28.53 64.95 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.896 0.478 . . . . 99.99 111.453 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.94 -38.25 87.76 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.212 0.53 . . . . 95.17 110.594 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.638 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 22.1 mt -74.17 -31.17 62.58 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.25 17.56 59.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-N 115.434 -0.803 . . . . 66.02 113.647 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.76 -59.81 0.1 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.719 0.759 . . . . 54.11 111.426 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.427 ' HE1' HG21 ' E' ' 309' ' ' THR . 80.8 t80 -74.69 -43.44 55.15 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.2 0.444 . . . . 40.76 112.2 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 74.4 m -61.15 -48.7 91.21 Favored Pre-proline 0 CA--C 1.564 1.513 0 N-CA-C 112.86 0.689 . . . . 34.31 112.86 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.67 -21.7 44.98 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.333 2.022 . . . . 28.69 113.006 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' E' ' 71' ' ' ILE . 5.0 t-20 -68.99 -33.87 74.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.743 0.817 . . . . 61.29 110.277 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.506 HG21 HD13 ' D' ' 13' ' ' ILE . 44.2 mm -67.57 -40.64 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.864 0.865 . . . . 19.65 110.429 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -69.92 -31.38 69.11 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.345 -0.843 . . . . 13.09 112.283 -171.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.42 -43.83 94.11 Favored Pre-proline 0 CA--C 1.571 1.783 0 N-CA-C 114.122 1.156 . . . . 10.47 114.122 -171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -46.67 -44.38 21.72 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.685 2.256 . . . . 6.22 114.962 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -79.71 -30.91 41.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.902 0.481 . . . . 10.48 111.592 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.35 83.91 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.703 0.401 . . . . 4.16 110.026 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -65.45 -56.73 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.863 0.865 . . . . 10.22 110.462 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.81 -35.53 78.47 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.83 0.706 . . . . 32.24 111.024 -174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -58.37 -49.65 76.47 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.689 0.618 . . . . 3.39 110.516 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.664 HG12 ' SG ' ' D' ' 76' ' ' CYS . 68.2 mt -62.8 -54.62 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.73 0.644 . . . . 5.37 110.793 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.5 m -50.13 -46.69 54.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.117 1.367 . . . . 7.06 111.792 -172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 30.9 t -67.57 -42.67 82.2 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.632 -1.167 . . . . 6.71 110.416 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.1 mtm -64.64 -36.0 82.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.022 0.529 . . . . 5.08 111.803 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 114' ' ' ILE . 84.3 t -63.76 -48.44 86.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.987 0.915 . . . . 5.65 110.465 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -69.88 -29.44 66.66 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.787 -0.642 . . . . 10.21 111.258 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -71.26 -22.69 61.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.496 0.718 . . . . 6.99 110.738 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.7 10.73 71.05 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-O 119.347 -0.696 . . . . 7.43 113.918 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 32.2 m 65.81 13.36 8.95 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.923 1.289 . . . . 18.26 111.042 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -88.84 146.96 37.91 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 109.291 -0.633 . . . . 10.7 109.291 172.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.617 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 17.8 Cg_endo -57.99 141.54 96.22 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.556 2.171 . . . . 20.06 112.746 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -52.93 126.76 21.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 16.85 112.077 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.444 HD12 ' HB1' ' E' ' 126' ' ' ALA . 55.9 tp -107.74 118.47 36.83 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.047 0.939 . . . . 14.84 109.538 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -100.49 112.88 25.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.278 -1.008 . . . . 76.73 108.278 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 116.36 13.17 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.666 0.786 . . . . 20.32 109.352 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.21 138.41 97.41 Favored Pre-proline 0 CA--C 1.559 1.291 0 C-N-CA 123.878 0.871 . . . . 28.37 111.816 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.33 138.37 84.04 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 123.519 2.813 . . . . 32.68 113.819 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.83 114.82 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.304 0.642 . . . . 69.78 111.139 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.89 112.55 20.24 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.21 -1.033 . . . . 99.99 108.21 164.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.04 -40.21 97.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.254 0.621 . . . . 99.99 110.228 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.26 -53.4 35.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.247 1.019 . . . . 99.99 111.568 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.67 95.67 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.667 0.787 . . . . 99.99 111.353 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' D' ' 139' ' ' ASN . 31.7 tp -76.15 -24.43 54.84 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.316 -0.856 . . . . 99.99 111.279 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -80.04 -46.38 16.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.814 0.445 . . . . 99.99 110.177 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 65.8 mtm -68.04 -20.64 65.01 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 99.99 111.085 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' D' ' 143' ' ' GLN . 4.1 t30 -55.46 -40.62 71.85 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.616 1.167 . . . . 99.99 111.302 169.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -69.95 -38.38 76.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.09 0.556 . . . . 99.99 112.4 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.71 -39.39 80.68 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.29 0.636 . . . . 99.99 111.297 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' E' ' 117' ' ' LYS . 10.7 pt20 -88.62 3.23 51.3 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.156 -0.929 . . . . 99.99 112.546 -175.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 139' ' ' ASN . 12.0 pt20 -139.72 42.43 1.99 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.423 0.689 . . . . 99.99 109.538 172.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.36 94.75 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -172.39 -38.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.994 . . . . 99.99 109.699 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.94 -69.13 3.13 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 110.517 -1.033 . . . . 99.99 110.517 -171.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 71.74 -74.71 0.08 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.415 1.486 . . . . 99.99 111.851 170.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -163.32 -155.99 8.42 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 81.2 p 48.68 30.27 2.5 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.219 1.407 . . . . 99.99 113.061 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -76.53 158.48 31.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.032 0.933 . . . . 99.99 109.628 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 58.24 43.17 20.7 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.801 . . . . 99.99 108.91 -165.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -61.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 114.041 -1.436 . . . . 99.99 109.858 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 55.81 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.162 1.385 . . . . 99.99 113.75 166.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.17 -32.78 13.57 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.541 1.136 . . . . 99.99 110.783 -174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 124.066 0.946 . . . . 99.99 110.845 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.666 0.27 . . . . 99.99 110.765 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -119.89 161.11 21.39 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.183 -1.043 . . . . 99.99 108.183 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 69.31 160.57 0.2 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.588 1.155 . . . . 99.99 112.155 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . 0.414 ' OG ' HG13 ' E' ' 306' ' ' VAL . 66.2 m -145.54 140.33 27.37 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.551 0.74 . . . . 99.99 110.687 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 16.8 m 56.25 -77.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 126.125 1.77 . . . . 99.99 112.401 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.415 HD13 HD11 ' B' ' 126' ' ' LEU . 5.2 tt -171.58 137.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.885 1.274 . . . . 99.99 108.633 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 179.96 -159.95 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.811 1.244 . . . . 99.99 108.636 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.652 HD23 ' H ' ' E' ' 8' ' ' LEU . 0.3 OUTLIER -50.89 100.46 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.755 0.822 . . . . 99.99 111.277 172.037 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.07 -54.86 11.24 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.752 -1.113 . . . . 99.99 110.932 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.521 ' HA ' ' HE2' ' B' ' 133' ' ' PHE . 1.5 tt -157.28 117.75 3.53 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.459 -0.791 . . . . 99.99 109.313 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.491 HD23 ' HD1' ' E' ' 15' ' ' PHE . 8.2 mp -68.79 116.26 39.29 Favored Pre-proline 0 N--CA 1.477 0.875 0 N-CA-C 108.203 -1.036 . . . . 99.99 108.203 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -39.85 81.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.976 3.784 . . . . 99.99 116.275 -163.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 62.08 -10.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.931 1.692 . . . . 99.99 115.278 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp 174.3 141.59 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.185 1.394 . . . . 99.99 107.893 -171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.491 ' HD1' HD23 ' E' ' 11' ' ' LEU . 41.7 t80 -75.13 153.38 38.28 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 96.6 m -57.37 114.33 8.01 Favored Pre-proline 0 N--CA 1.487 1.406 0 CA-C-O 119.052 -0.499 . . . . 99.99 110.976 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -48.72 106.34 0.11 Allowed 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 124.0 3.133 . . . . 99.99 113.048 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.2 p -60.76 -57.4 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 114.6 -1.182 . . . . 99.99 111.457 -166.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -98.15 31.17 2.83 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.55 1.14 . . . . 99.99 108.045 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 55.96 47.1 20.64 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 124.489 1.115 . . . . 99.99 108.736 -168.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.646 ' HB1' ' HA ' ' B' ' 90' ' ' GLU . . . -66.48 82.47 0.09 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 113.076 -1.875 . . . . 99.99 112.164 -170.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.609 ' HG3' HG21 ' E' ' 28' ' ' VAL . 1.1 mpt_? -129.81 137.63 50.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.291 1.436 . . . . 99.99 108.086 173.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.68 122.63 86.42 Favored Pre-proline 0 CA--C 1.553 1.088 0 N-CA-C 107.093 -1.447 . . . . 99.99 107.093 168.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.74 121.2 6.2 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.102 2.535 . . . . 99.99 114.264 -164.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 46.5 31.8 1.43 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.236 1.815 . . . . 99.99 113.659 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.5 mtt -94.6 158.47 35.39 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 109.155 -0.683 . . . . 99.99 109.155 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.87 -25.83 78.32 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 123.235 2.623 . . . . 99.99 114.128 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.609 HG21 ' HG3' ' E' ' 22' ' ' ARG . 48.2 t 62.69 78.75 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.773 1.229 . . . . 99.99 110.847 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -143.74 -56.89 0.39 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 106.536 -1.653 . . . . 99.99 106.536 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' OH ' ' B' ' 140' ' ' TYR . 1.1 pm0 -81.31 -45.87 15.55 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.418 -1.265 . . . . 99.99 111.278 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 59.85 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.934 1.293 . . . . 99.99 112.781 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -141.17 146.01 36.42 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.839 -0.8 . . . . 99.99 108.839 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 74.32 -57.68 0.61 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.347 1.459 . . . . 99.99 109.237 -167.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.24 -85.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.011 1.325 . . . . 99.99 112.445 166.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.97 9.25 5.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.797 0.839 . . . . 99.99 110.93 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -140.96 56.11 0.61 Allowed Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.201 -0.759 . . . . 99.99 111.201 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . 0.42 ' O ' ' HA2' ' B' ' 146' ' ' GLY . 25.5 t70 -80.78 159.86 25.03 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.599 0.759 . . . . 99.99 110.833 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 39.4 pt -112.7 32.51 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 113.062 0.764 . . . . 99.99 113.062 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 1.5 p -64.39 -18.68 64.92 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.602 0.593 . . . . 99.99 112.602 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.31 82.47 11.83 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 123.44 0.696 . . . . 99.99 110.013 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -96.33 -4.56 1.64 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.011 2.474 . . . . 99.99 113.507 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.34 -111.83 0.13 Allowed Glycine 0 C--N 1.354 1.548 0 CA-C-O 119.297 -0.724 . . . . 99.99 111.611 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -84.63 0.2 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 111.087 -0.805 . . . . 99.99 111.087 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 68.69 -71.85 0.11 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.338 1.455 . . . . 99.99 112.694 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . 0.467 ' HG3' ' HB1' ' B' ' 145' ' ' ALA . 64.9 mtm180 -126.05 33.01 5.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.977 0.911 . . . . 99.99 109.624 171.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 63.24 43.53 6.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.698 1.199 . . . . 99.99 111.906 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.16 -42.09 76.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 106.687 -1.597 . . . . 99.99 106.687 163.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 4.0 m 65.59 11.46 7.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 125.251 1.421 . . . . 99.99 111.947 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.05 30.9 72.0 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-O 119.911 -0.383 . . . . 99.99 112.828 -171.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.89 -62.3 1.91 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.796 1.238 . . . . 99.99 111.823 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 152' ' ' HIS . 27.9 tt0 -67.14 -49.13 65.91 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.954 -0.566 . . . . 99.99 110.199 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 72.5 p -64.9 -16.8 63.69 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.845 0.858 . . . . 99.99 113.291 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.52 70.48 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.457 0.703 . . . . 99.99 112.339 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.6 -48.19 0.1 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.206 0.602 . . . . 99.99 111.014 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' E' ' 59' ' ' LEU . 61.7 mt -66.03 96.72 0.33 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.146 0.579 . . . . 99.99 111.197 -174.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -158.44 -154.4 0.43 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.565 1.146 . . . . 99.99 107.943 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 66.59 11.11 7.91 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.195 0.998 . . . . 99.99 110.977 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 35.3 t -168.03 -60.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.478 1.111 . . . . 99.99 108.241 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' E' ' 55' ' ' LEU . 97.3 mt -65.3 -64.27 0.9 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 124.105 0.878 . . . . 99.99 110.032 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.2 m -93.5 103.52 15.71 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.063 0.545 . . . . 99.99 109.745 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -137.47 78.92 1.72 Allowed 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 122.51 1.148 . . . . 99.99 109.553 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.572 ' H ' ' HB3' ' E' ' 317' ' ' SER . 69.2 mmtt -94.92 144.6 28.09 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-N 114.617 -1.174 . . . . 99.99 111.6 -172.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 99.88 1.31 Allowed 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 123.247 2.631 . . . . 99.99 112.789 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.37 170.91 10.54 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.641 0.776 . . . . 99.99 110.73 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.752 ' HE2' ' HB3' ' E' ' 79' ' ' GLU . 0.0 OUTLIER -77.17 89.56 3.66 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 174.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -79.18 76.65 5.71 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.367 1.08 . . . . 99.99 108.651 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.21 -26.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 113.958 -1.474 . . . . 99.99 110.247 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 mp 76.45 -43.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 125.496 1.519 . . . . 99.99 110.658 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 20.0 mt -72.36 83.34 1.06 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.561 0.744 . . . . 99.99 109.968 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.83 100.25 11.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.925 0.49 . . . . 99.99 109.852 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.418 HG23 ' ND2' ' D' ' 104' ' ' ASN . 24.7 mm -108.77 -46.23 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.18 167.22 39.22 Favored Glycine 0 C--N 1.34 0.754 0 N-CA-C 111.351 -0.699 . . . . 99.99 111.351 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.33 91.61 0.24 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 106.946 -1.502 . . . . 99.99 106.946 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.21 102.43 0.21 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 115.688 1.035 . . . . 99.99 115.688 -164.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.87 31.96 16.05 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.65 1.18 . . . . 99.99 112.735 176.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.27 77.41 1.19 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -101.76 -39.41 7.43 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.93 0.892 . . . . 99.99 109.749 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.0 p -75.02 -32.3 61.57 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.246 0.546 . . . . 99.99 109.574 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.752 ' HB3' ' HE2' ' E' ' 65' ' ' LYS . 42.1 mt-10 -76.87 -24.91 52.58 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.758 1.223 . . . . 99.99 111.498 175.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 34.2 mt 60.45 73.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 125.253 1.421 . . . . 99.99 111.901 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.474 HG21 ' HB2' ' E' ' 65' ' ' LYS . 0.8 OUTLIER -155.71 111.72 3.09 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.953 0.901 . . . . 99.99 109.931 178.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.68 145.06 36.03 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.735 0.814 . . . . 99.99 109.479 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.14 29.41 3.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.471 0.708 . . . . 99.99 110.617 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 65.46 33.45 8.79 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.353 1.061 . . . . 99.99 110.141 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.25 98.79 4.55 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.651 -0.704 . . . . 99.99 110.61 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -78.63 91.02 4.58 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.073 0.549 . . . . 99.99 110.194 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.4 35.2 0.07 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.656 0.782 . . . . 99.99 111.288 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.89 91.43 1.18 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.674 -0.491 . . . . 99.99 109.674 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' D' ' 9' ' ' MET . . . 156.94 166.0 15.82 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 116.426 -0.352 . . . . 99.99 113.646 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.57 128.92 17.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.639 0.775 . . . . 99.99 109.76 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.99 147.85 5.08 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 111.698 -0.561 . . . . 99.99 111.698 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -90.0 -120.62 2.09 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 116.646 0.223 . . . . 99.99 113.487 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -81.63 95.7 7.27 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.046 0.938 . . . . 99.99 110.991 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -115.6 118.84 34.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.851 0.86 . . . . 99.99 109.645 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -64.86 121.6 14.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.982 -0.747 . . . . 99.99 108.982 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.06 -44.6 0.04 OUTLIER Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.212 -0.449 . . . . 99.99 112.155 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.468 HG21 HD22 ' E' ' 100' ' ' LEU . 30.3 mt -71.79 -73.19 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.482 0.713 . . . . 99.99 110.815 176.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.98 -72.51 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.288 1.435 . . . . 99.99 110.444 -166.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.42 86.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.851 0.86 . . . . 99.99 111.113 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.468 HD22 HG21 ' E' ' 97' ' ' ILE . 0.1 OUTLIER -76.0 113.99 32.9 Favored Pre-proline 0 CA--C 1.561 1.385 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.49 179.57 5.69 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.389 2.059 . . . . 99.99 113.361 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . 0.262 3.1 pp 51.52 17.53 0.57 Allowed 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 126.624 1.969 . . . . 99.99 114.667 -171.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 61.6 p -88.37 -27.18 21.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.477 0.711 . . . . 99.99 111.194 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.64 96.3 0.25 Allowed Glycine 0 C--N 1.352 1.432 0 CA-C-O 119.436 -0.647 . . . . 99.99 112.494 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 70.11 148.29 0.07 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.15 1.38 . . . . 99.99 111.407 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -70.01 128.82 37.66 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 5.7 t -54.48 139.41 37.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.643 0.777 . . . . 99.99 112.326 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -63.82 -18.68 64.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.982 0.913 . . . . 99.99 112.079 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -64.22 -37.2 86.63 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 99.99 110.425 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.15 8.07 3.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.014 1.326 . . . . 99.99 114.035 171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 21.0 tp 60.34 20.89 10.43 Favored 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 125.572 1.549 . . . . 99.99 112.129 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -118.72 -175.36 2.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.547 0.739 . . . . 99.99 109.028 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' E' ' 113' ' ' LYS . 11.3 mmpt? 70.33 99.4 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.77 1.228 . . . . 99.99 111.06 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -120.94 62.76 0.87 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 87.4 m -63.86 -43.25 96.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.122 0.969 . . . . 99.99 112.133 -173.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -164.77 34.39 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.374 -0.681 . . . . 99.99 112.096 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' E' ' 117' ' ' LYS 0.303 56.5 mmtt 93.68 -73.94 0.0 OUTLIER Pre-proline 0 CA--C 1.574 1.897 0 C-N-CA 127.112 2.165 . . . . 99.99 113.36 -177.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.75 -19.83 3.97 Favored 'Trans proline' 0 C--N 1.392 2.827 0 CA-C-N 123.459 2.271 . . . . 99.99 113.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 62.98 111.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.258 1.023 . . . . 99.99 111.249 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -149.86 145.31 26.48 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 109.385 -0.598 . . . . 99.99 109.385 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 91.3 t 68.32 92.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.834 1.254 . . . . 99.99 110.297 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 33.5 p -126.06 162.58 24.97 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.985 0.914 . . . . 99.99 109.629 173.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.63 97.88 0.83 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.549 0.739 . . . . 99.99 110.031 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 31.8 p -149.78 138.05 20.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.63 0.772 . . . . 99.99 109.417 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.72 -171.44 0.18 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.688 1.195 . . . . 99.99 111.421 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . 0.444 ' HB1' HD12 ' D' ' 126' ' ' LEU . . . 62.02 76.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.879 0.872 . . . . 96.83 111.714 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 37.3 p -148.64 17.76 1.02 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.369 0.667 . . . . 99.99 111.522 -177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.8 93.46 2.62 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.142 0.577 . . . . 74.48 109.75 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.617 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 21.6 p -70.11 136.11 49.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.417 0.687 . . . . 99.99 112.427 -174.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.85 148.32 29.76 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.731 1.212 . . . . 99.99 109.241 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -155.6 179.29 9.33 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.245 0.618 . . . . 99.99 110.187 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 22.9 t -116.41 120.13 37.84 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.939 0.896 . . . . 99.99 109.63 172.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 13.1 t -70.0 150.52 46.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.428 -0.582 . . . . 99.99 109.428 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.9 161.85 27.66 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 123.368 0.418 . . . . 89.58 113.389 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.411 HG11 ' HB ' ' C' ' 13' ' ' ILE . 2.3 m -85.29 -8.11 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.064 0.545 . . . . 99.99 110.847 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.7 tttt 75.13 -73.71 0.09 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 125.496 1.518 . . . . 99.99 110.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 13.3 t -173.34 175.68 3.04 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.637 1.175 . . . . 99.99 108.185 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -78.24 -68.69 0.61 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 68.4 8.4 6.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.472 1.109 . . . . 99.99 111.434 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.15 27.82 2.63 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 111.836 -0.506 . . . . 99.99 111.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.71 -150.03 0.42 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.491 1.116 . . . . 99.99 112.546 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 51.6 tp 73.92 -69.33 0.19 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.511 1.524 . . . . 99.99 109.54 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.64 136.73 13.44 Favored Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.137 -1.185 . . . . 99.99 110.137 168.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 13.4 m -66.86 95.86 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 121.751 0.786 . . . . 99.99 111.649 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.1 159.23 16.23 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.409 -0.814 . . . . 99.99 110.534 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 5.7 tp -159.58 96.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 122.105 0.955 . . . . 99.99 109.023 169.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -131.53 95.39 3.73 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.221 -1.4 . . . . 99.99 107.221 169.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.9 157.53 34.74 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 115.225 -0.898 . . . . 99.99 109.706 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -64.76 128.65 36.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.105 0.478 . . . . 99.99 110.135 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.01 146.51 49.35 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.622 -0.881 . . . . 99.99 108.622 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' E' ' 152' ' ' PRO . 89.1 m-70 -59.41 109.98 2.36 Favored Pre-proline 0 N--CA 1.48 1.049 0 O-C-N 123.886 0.741 . . . . 99.99 111.155 -175.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 151' ' ' HIS . 4.3 Cg_exo -77.27 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.041 2.494 . . . . 99.99 112.316 -175.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 10.1 t -71.27 -161.51 0.06 Allowed 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 115.217 -0.902 . . . . 99.99 109.809 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.51 HG13 ' H ' ' E' ' 155' ' ' LEU . 12.0 pt -49.75 -59.12 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.87 0.759 . . . . 99.99 112.201 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.51 ' H ' HG13 ' E' ' 154' ' ' ILE . 1.1 tt -122.59 -66.02 1.06 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.626 -0.879 . . . . 99.99 108.626 169.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -177.88 6.91 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.618 0.767 . . . . 99.99 109.796 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.446 ' H ' ' HB3' ' E' ' 429' ' ' GLU . 51.7 ttm -152.84 83.14 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.945 -0.761 . . . . 99.99 108.945 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.97 88.14 5.94 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.524 -0.762 . . . . 99.99 109.436 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.8 -28.23 40.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.659 -1.155 . . . . 99.99 111.248 -172.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.2 -51.98 5.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -85.31 80.94 8.98 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.067 0.947 . . . . 99.99 110.991 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -174.55 -47.13 0.05 OUTLIER Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.623 -0.717 . . . . 99.99 111.356 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -58.27 6.07 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 72.16 140.74 0.06 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.056 1.343 . . . . 99.99 112.507 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 70' ' ' GLU . 43.5 p 58.49 164.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 126.517 1.927 . . . . 99.99 114.01 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -139.32 -11.28 0.78 Allowed Glycine 0 N--CA 1.467 0.764 0 CA-C-N 114.307 -1.315 . . . . 99.99 110.838 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -60.58 114.42 2.97 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.299 1.039 . . . . 99.99 109.277 167.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 6.1 p -155.24 -50.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 99.99 111.469 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m -74.57 -75.93 0.15 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.231 0.613 . . . . 99.99 111.022 -171.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 9.9 t -172.11 155.89 3.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.853 0.861 . . . . 99.99 110.243 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -150.79 11.44 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.372 1.069 . . . . 99.99 109.881 173.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.52 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 126.321 1.849 . . . . 99.99 113.246 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.67 -112.36 0.21 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -134.04 84.44 2.12 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.034 0.834 . . . . 99.99 110.952 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.98 -179.6 5.74 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.308 -0.997 . . . . 99.99 108.308 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.42 -109.64 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 117.987 -1.006 . . . . 99.99 109.731 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.9 m 66.42 144.27 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.041 0 C-N-CA 123.881 0.872 . . . . 99.99 112.233 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.96 -175.76 0.23 Allowed 'Trans proline' 0 C--N 1.388 2.633 0 C-N-CA 122.25 1.967 . . . . 99.99 112.745 167.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -61.45 -56.42 20.32 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.22 0.608 . . . . 99.99 111.552 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.44 16.59 5.29 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.104 1.361 . . . . 99.99 113.623 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.8 pp -94.01 158.81 15.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.497 0.719 . . . . 99.99 112.269 -172.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.57 151.7 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 124.092 0.957 . . . . 99.99 110.052 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.92 -65.1 0.33 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.352 1.461 . . . . 99.99 114.003 166.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.53 -73.38 0.07 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.367 1.067 . . . . 99.99 112.078 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 55.1 t 54.43 -78.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 125.075 1.35 . . . . 99.99 111.133 -172.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 30.2 m 66.34 94.19 0.07 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.974 1.31 . . . . 99.99 112.266 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 45.4 p -85.39 48.8 1.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.825 1.25 . . . . 99.99 109.354 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 61.54 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.474 1.51 . . . . 99.99 109.587 -163.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.47 135.11 0.53 Allowed 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.251 1.42 . . . . 99.99 108.141 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 64.4 m 74.57 -57.34 0.61 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.642 1.577 . . . . 99.99 112.415 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 76.4 t80 72.81 -65.05 0.37 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.428 1.491 . . . . 99.99 111.023 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -67.74 112.65 4.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 119.119 -0.823 . . . . 99.99 111.839 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.18 89.19 1.19 Allowed 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.944 2.429 . . . . 99.99 111.77 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.2 p -73.67 83.88 1.59 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.431 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' E' ' 213' ' ' ILE . . . -88.67 -6.68 57.31 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.054 0.942 . . . . 99.99 112.233 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.3 m 69.33 -74.02 0.08 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.005 1.322 . . . . 99.99 110.621 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 p -166.21 -22.74 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.122 0.969 . . . . 99.99 110.514 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 71.26 -72.14 0.12 Allowed 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.231 1.412 . . . . 99.99 110.39 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.5 ' H ' HD11 ' E' ' 205' ' ' LEU . 63.6 tttp -135.01 -176.11 4.14 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.099 -1.445 . . . . 99.99 107.099 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' E' ' 199' ' ' LYS . 21.1 p -56.73 116.5 13.3 Favored Pre-proline 0 CA--C 1.555 1.171 0 N-CA-C 109.342 -0.614 . . . . 99.99 109.342 165.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.54 46.59 2.05 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 123.013 2.475 . . . . 99.99 113.561 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -72.81 -107.37 0.06 OUTLIER Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.341 -0.391 . . . . 99.99 112.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.46 92.58 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 117.323 0.562 . . . . 99.99 110.883 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 62.84 20.35 12.12 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.737 1.215 . . . . 99.99 113.371 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . 0.5 HD11 ' H ' ' E' ' 199' ' ' LYS . 42.9 tp 58.35 83.35 0.12 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.942 0.897 . . . . 99.99 108.786 -172.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . 0.283 12.6 pt-20 52.96 -68.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.557 1.943 . . . . 99.99 112.242 -160.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -171.11 27.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.946 0.879 . . . . 99.99 108.901 171.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 157.19 -71.48 0.25 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.837 -1.074 . . . . 99.99 111.987 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 167.12 -155.59 26.79 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 111.145 -0.782 . . . . 99.99 111.145 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -150.06 -58.53 0.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.83 0.815 . . . . 99.99 111.029 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . 0.425 ' HA2' ' SD ' ' D' ' 1' ' ' MET . . . 165.84 -95.87 0.12 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.784 -0.453 . . . . 99.99 113.686 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.2 m 67.11 -71.34 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.75 1.62 . . . . 99.99 112.028 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' E' ' 195' ' ' ALA . 54.3 mt -72.93 109.19 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 124.494 1.118 . . . . 99.99 110.864 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.3 m -132.94 -25.58 1.81 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.716 0.806 . . . . 99.99 110.323 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.9 -9.21 52.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.289 1.036 . . . . 99.99 111.857 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -51.5 -26.39 8.26 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.811 1.041 . . . . 99.99 113.811 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 4.6 tt -89.09 -53.85 4.39 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 58.7 tp 58.93 78.2 0.27 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.533 1.133 . . . . 99.99 110.7 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . 0.45 HD22 ' HG3' ' E' ' 221' ' ' ARG . 5.8 t30 69.46 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.665 1.186 . . . . 99.99 112.517 173.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -66.95 95.87 0.4 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.382 0.61 . . . . 99.99 110.443 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.45 ' HG3' HD22 ' E' ' 219' ' ' ASN . 29.6 mtm180 -97.16 -169.15 1.81 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.34 1.056 . . . . 99.99 111.679 -174.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 59.23 39.7 22.38 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.71 1.204 . . . . 99.99 111.38 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.82 112.13 2.42 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.669 0.788 . . . . 99.99 110.704 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 84.8 t -118.25 123.8 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.188 -1.041 . . . . 99.99 108.188 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 52.8 p -78.03 80.24 4.47 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.181 0.592 . . . . 99.99 110.323 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.31 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.564 1.546 . . . . 99.99 109.932 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.2 20.26 72.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-O 119.9 -0.389 . . . . 99.99 113.097 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -73.22 90.47 0.61 Allowed Glycine 0 C--N 1.351 1.368 0 O-C-N 123.863 0.39 . . . . 99.99 112.92 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -85.09 -179.66 50.95 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-O 121.462 0.479 . . . . 99.99 114.036 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -96.12 -48.72 5.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.801 0.841 . . . . 99.99 111.377 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt 58.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.013 1.325 . . . . 99.99 110.706 -170.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' E' ' 235' ' ' GLU . 68.3 p -69.97 -18.24 63.33 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.2 1.0 . . . . 99.99 112.19 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 69.94 -69.46 0.17 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.656 1.582 . . . . 99.99 111.13 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.18 47.25 2.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.887 0.875 . . . . 99.99 109.153 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' E' ' 232' ' ' THR . 4.1 mp0 56.32 60.5 3.13 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.512 1.125 . . . . 99.99 111.596 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 8.5 m 71.38 -0.41 3.13 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.146 1.378 . . . . 99.99 111.996 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 65.89 123.35 0.02 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.26 1.424 . . . . 99.99 112.072 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' E' ' 241' ' ' GLU . 23.4 m 77.46 -46.59 0.48 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.698 1.599 . . . . 99.99 112.342 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -61.81 -19.84 62.97 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.575 0.954 . . . . 99.99 113.575 -176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -73.93 -7.14 75.14 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 119.647 -0.529 . . . . 99.99 114.383 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' E' ' 402' ' ' ASP . 10.5 pt-20 -88.22 -15.6 35.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 117.546 0.673 . . . . 99.99 110.615 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 61.41 87.59 0.09 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.64 1.576 . . . . 99.99 111.23 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -82.66 74.39 9.63 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.409 0.684 . . . . 99.99 110.801 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -92.71 -45.38 3.69 Favored Glycine 0 N--CA 1.469 0.894 0 N-CA-C 110.734 -0.946 . . . . 99.99 110.734 172.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.689 ' H ' ' HB1' ' E' ' 405' ' ' ALA . 52.8 mtpt 56.57 24.03 8.3 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.837 1.655 . . . . 99.99 112.615 177.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 2.5 t -100.99 -55.87 2.46 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.645 0.778 . . . . 99.99 111.037 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.37 -38.09 81.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.094 0.558 . . . . 99.99 111.959 -171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.639 ' HD3' ' HB3' ' E' ' 404' ' ' LYS . 15.4 tpt180 -58.15 -51.85 68.02 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 123.648 0.592 . . . . 99.99 111.379 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.83 -52.04 7.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.884 0.474 . . . . 99.99 112.031 -173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -75.51 -26.38 58.04 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.021 0.749 . . . . 99.99 113.021 -165.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -77.15 -15.92 59.34 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 111.887 0.329 . . . . 99.99 111.887 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -69.32 -13.49 62.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.516 0.726 . . . . 99.99 112.047 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -55.24 -56.31 21.47 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.398 0.679 . . . . 99.99 111.198 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 63.04 152.53 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 125.031 1.332 . . . . 99.99 113.114 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 66.16 56.4 14.24 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 112.263 -0.335 . . . . 99.99 112.263 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -58.47 -40.87 83.86 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.572 0.749 . . . . 99.99 111.566 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 63.05 -76.85 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.528 1.531 . . . . 99.99 111.545 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 55.73 -82.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.279 1.432 . . . . 99.99 112.292 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' E' ' 262' ' ' ALA . 41.1 t -71.51 -42.0 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.636 0.775 . . . . 99.99 110.75 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 16.5 t 74.44 -57.59 0.61 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.722 1.609 . . . . 99.99 111.496 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.38 116.56 5.29 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.39 0.676 . . . . 99.99 110.64 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' E' ' 259' ' ' VAL . . . -92.36 -0.71 57.36 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.541 1.136 . . . . 99.99 113.156 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -58.56 -64.43 0.93 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -166.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 73.2 m -161.62 -35.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.164 0.986 . . . . 99.99 110.302 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 91.2 mt 65.11 -80.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 99.99 111.442 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -136.71 -4.08 2.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.786 0.834 . . . . 99.99 111.209 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 26.7 m 55.33 -96.9 0.06 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.341 1.456 . . . . 99.99 112.999 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.1 p -176.24 -28.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.794 0.838 . . . . 99.99 110.974 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 28.2 m 65.03 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.95 1.3 . . . . 99.99 109.955 -166.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' E' ' 273' ' ' GLN . 7.9 pt-20 -138.56 112.65 8.58 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.543 0.737 . . . . 99.99 110.239 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -88.55 -54.11 4.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.254 -0.885 . . . . 99.99 109.523 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -36.68 6.26 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.644 0.778 . . . . 99.99 111.864 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.575 ' HG2' ' HB2' ' E' ' 270' ' ' GLU . 24.2 mm-40 61.71 -98.26 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 99.99 111.617 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -131.08 14.36 5.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.254 0.622 . . . . 99.99 111.807 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -49.76 131.89 20.86 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 123.345 0.658 . . . . 99.99 111.856 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -79.66 34.37 0.53 Allowed 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 123.396 2.73 . . . . 99.99 113.14 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.492 HD23 ' N ' ' E' ' 278' ' ' LEU . 3.5 tt -72.16 144.03 48.71 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.834 -1.173 . . . . 99.99 107.834 169.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.492 ' N ' HD23 ' E' ' 277' ' ' LEU . 3.2 tm? 80.04 101.35 0.06 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.358 1.463 . . . . 99.99 109.498 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -124.49 135.87 9.77 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 110.793 -0.923 . . . . 99.99 110.793 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 95.9 mt 63.24 -178.41 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.14 0.976 . . . . 99.99 111.152 -170.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' C' ' 103' ' ' PRO . 9.2 t80 61.87 26.59 16.12 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.49 1.116 . . . . 99.99 111.467 172.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' C' ' 47' ' ' ALA . . . -142.58 20.33 2.02 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.586 -0.696 . . . . 99.99 111.288 -175.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -171.03 -39.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.213 0.605 . . . . 99.99 110.162 -168.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -78.27 -178.88 50.05 Favored Glycine 0 C--N 1.348 1.197 0 O-C-N 123.536 0.522 . . . . 99.99 113.258 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -139.82 156.15 46.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.283 0.633 . . . . 99.99 109.592 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 24.1 mmt -96.12 111.57 56.81 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 123.374 0.67 . . . . 99.99 109.196 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.39 82.91 1.32 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 121.868 1.712 . . . . 99.99 110.126 166.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.46 -47.21 30.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 C-N-CA 124.003 0.921 . . . . 99.99 110.409 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 65.79 128.19 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.928 1.291 . . . . 99.99 110.049 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -62.16 126.55 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.142 0.577 . . . . 99.99 111.696 -174.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.95 -42.6 48.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.814 -1.085 . . . . 99.99 111.219 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.97 -177.11 47.82 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 114.019 0.368 . . . . 99.99 114.019 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.92 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.646 2.897 . . . . 99.99 111.479 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' C' ' 37' ' ' GLN . 65.4 mttm -63.72 126.36 27.34 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.675 -0.491 . . . . 99.99 109.675 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -137.11 169.04 18.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.086 0.554 . . . . 99.99 110.106 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 4.7 m 72.46 163.46 0.27 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.994 1.318 . . . . 99.99 110.364 -172.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 66.74 -164.42 0.23 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.003 0.921 . . . . 99.99 110.939 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . 0.605 ' H ' ' HB3' ' C' ' 36' ' ' TRP . 56.7 t-80 75.17 0.72 3.57 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.473 1.109 . . . . 99.99 111.621 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -94.2 145.58 17.74 Favored Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.473 -0.651 . . . . 99.99 111.473 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.32 98.22 3.19 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.553 0.741 . . . . 99.99 110.768 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.42 93.5 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.321 -0.992 . . . . 99.99 108.321 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -87.88 146.02 25.77 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.261 0.624 . . . . 99.99 110.567 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 131.93 51.85 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 123.611 0.764 . . . . 99.99 110.818 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.409 ' HA ' ' HB3' ' E' ' 4' ' ' SER . 24.0 Cg_exo -68.56 176.55 5.68 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.367 2.045 . . . . 99.99 112.583 162.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -146.44 10.79 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.601 0.76 . . . . 99.99 110.805 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' B' ' 131' ' ' VAL . 23.9 m -80.12 108.65 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-O 121.612 0.72 . . . . 99.99 111.885 -170.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 37.3 m -138.16 112.29 8.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.165 0.986 . . . . 99.99 109.174 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 92.9 m -150.43 102.6 3.06 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.76 0.824 . . . . 99.99 109.598 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . 0.427 HG21 ' HE1' ' D' ' 101' ' ' TYR . 1.7 p -157.67 144.89 13.48 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.078 1.351 . . . . 99.99 109.09 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -95.65 171.66 1.22 Allowed 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 123.004 2.469 . . . . 99.99 113.368 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.529 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 35.6 t-20 -102.0 -50.24 0.17 Allowed Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 114.246 -1.343 . . . . 99.99 112.722 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.529 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 19.6 Cg_endo -54.63 111.69 0.8 Allowed 'Trans proline' 0 C--N 1.402 3.385 0 C-N-CA 122.803 2.336 . . . . 99.99 114.115 -171.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -130.79 174.41 9.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.713 1.205 . . . . 99.99 109.686 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 64.25 8.59 4.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 124.174 0.99 . . . . 99.99 113.471 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -77.96 92.92 4.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.305 -0.998 . . . . 99.99 108.305 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.89 125.05 28.65 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.54 -0.541 . . . . 99.99 109.54 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . 0.572 ' HB3' ' H ' ' E' ' 62' ' ' LYS . 71.1 m -142.47 104.02 4.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.964 0.905 . . . . 99.99 108.79 177.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' E' ' 319' ' ' PRO . 10.6 m -105.2 107.59 59.32 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.553 0.741 . . . . 99.99 109.451 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' E' ' 318' ' ' VAL . 14.5 Cg_exo -68.16 82.39 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.674 2.916 . . . . 99.99 112.8 -174.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 16.8 p -144.7 -29.26 0.47 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.299 1.04 . . . . 99.99 110.613 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.71 -81.79 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.933 0.493 . . . . 99.99 110.354 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -90.18 -5.36 56.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.015 0.526 . . . . 99.99 111.538 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' E' ' 323' ' ' GLN . 0.0 OUTLIER -62.2 -69.79 0.23 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.403 -1.332 . . . . 99.99 107.403 165.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.6 -62.1 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.689 1.868 . . . . 99.99 114.399 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.0 m 78.93 58.05 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.2 1.8 . . . . 99.99 107.69 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.643 ' HA ' ' HA ' ' E' ' 331' ' ' LEU . 15.4 p-10 -112.33 44.91 1.36 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.619 1.568 . . . . 99.99 110.196 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.463 ' HB3' HG22 ' E' ' 387' ' ' ILE . 3.2 mptp? -105.93 -45.11 4.44 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 112.837 0.68 . . . . 99.99 112.837 -167.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' E' ' 332' ' ' LEU . . . -75.9 -83.39 0.06 Allowed 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 118.312 -0.851 . . . . 99.99 113.26 -166.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' E' ' 339' ' ' PHE . 3.2 mp -94.39 -77.19 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.322 1.419 . . . . 99.99 109.569 176.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -97.07 -64.52 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 N-CA-C 106.369 -1.715 . . . . 99.99 106.369 156.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.643 ' HA ' ' HA ' ' E' ' 326' ' ' ASP . 3.2 mm? -97.43 -68.32 0.81 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 114.582 -1.19 . . . . 99.99 110.695 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' E' ' 328' ' ' ALA . 59.7 tp -170.43 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 CA-C-N 114.72 -1.127 . . . . 99.99 109.278 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 38.6 t 61.03 91.99 0.05 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.913 1.285 . . . . 99.99 110.295 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 97.29 0.13 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -142.08 133.16 26.08 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.149 0.98 . . . . 99.99 108.367 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.8 123.46 22.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 66.75 24.26 9.95 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.303 1.041 . . . . 99.99 110.256 -173.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -73.84 -170.36 21.3 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.745 -0.661 . . . . 99.99 113.333 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' E' ' 329' ' ' ILE . 54.4 t80 69.34 177.99 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.828 1.251 . . . . 99.99 109.66 -175.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -78.54 3.32 16.39 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.464 0.705 . . . . 99.99 111.361 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 62.0 tp 67.48 -73.47 0.08 Allowed 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.756 1.622 . . . . 99.99 110.084 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -150.74 110.57 4.07 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.47 126.58 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.09 157.12 29.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.74 0.816 . . . . 99.99 111.409 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -92.24 41.76 2.77 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-N 116.067 -0.515 . . . . 99.99 112.781 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.59 69.46 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.463 0.649 . . . . 99.99 111.039 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 10.6 t -113.55 138.7 49.77 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 106.755 -1.572 . . . . 99.99 106.755 172.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 8.4 tt -68.85 152.86 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-N 118.634 0.652 . . . . 99.99 109.571 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -55.83 152.08 10.4 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.747 1.219 . . . . 99.99 113.184 -173.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.3 tttt 68.79 -76.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.17 1.388 . . . . 99.99 112.711 170.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -136.3 130.9 33.66 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.018 0.927 . . . . 99.99 108.697 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -110.41 -53.66 2.66 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.004 0.922 . . . . 99.99 110.818 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -99.34 -38.47 8.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.891 0.477 . . . . 99.99 109.742 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 54.53 -87.74 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.366 1.467 . . . . 99.99 112.678 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 54.92 83.76 0.08 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.191 1.396 . . . . 99.99 112.685 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -97.42 -33.71 0.26 Allowed Pre-proline 0 CA--C 1.571 1.782 0 N-CA-C 114.592 1.33 . . . . 99.99 114.592 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.92 21.88 0.91 Allowed 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 122.658 1.985 . . . . 99.99 113.299 -173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 55.9 m -72.41 -8.62 55.96 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.989 0.916 . . . . 99.99 112.139 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -61.38 -27.25 67.44 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 122.814 0.245 . . . . 99.99 112.981 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 62.06 -87.55 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.323 1.449 . . . . 99.99 111.984 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 9.6 tt -95.17 -38.29 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.241 1.016 . . . . 99.99 109.905 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 74.0 -75.46 1.11 Allowed Glycine 0 C--N 1.35 1.337 0 CA-C-N 115.929 -0.578 . . . . 99.99 111.753 -172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 63.14 123.03 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.789 1.635 . . . . 99.99 112.571 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.6 m 62.49 19.52 11.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 124.587 1.155 . . . . 99.99 109.53 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.17 136.95 22.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 C-N-CA 124.074 0.949 . . . . 99.99 108.703 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.28 127.82 34.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.24 -39.51 90.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.658 0.783 . . . . 99.99 110.267 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.96 -37.19 78.67 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.822 0.701 . . . . 99.99 110.966 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 1.0 OUTLIER -70.15 -40.52 74.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.423 0.689 . . . . 99.99 109.353 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.73 60.37 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.714 -0.675 . . . . 99.99 111.653 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 6.9 p -77.89 -31.46 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.591 0.356 . . . . 99.99 110.75 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' E' ' 369' ' ' GLU . 5.4 pp0? -70.64 -19.77 62.78 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 119.225 -0.417 . . . . 99.99 110.55 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.783 ' HA ' ' HB3' ' E' ' 376' ' ' GLU . 90.4 mtt-85 -65.53 -24.46 67.13 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 123.772 0.67 . . . . 99.99 112.283 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 83.01 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.144 0.497 . . . . 99.99 110.301 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 89.9 mt -86.36 -26.74 24.66 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.944 0.898 . . . . 99.99 112.087 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . 0.783 ' HB3' ' HA ' ' E' ' 373' ' ' ARG . 1.7 tm-20 -70.83 -57.45 4.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.736 0.815 . . . . 99.99 110.063 -173.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -57.71 -35.57 70.82 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.147 0.904 . . . . 99.99 111.94 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.04 -59.11 3.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.56 0.744 . . . . 99.99 110.941 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -76.01 -14.44 60.22 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 114.846 -1.07 . . . . 99.99 111.635 -174.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -54.65 -41.08 69.68 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.505 1.122 . . . . 99.99 111.136 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 73.88 -64.94 0.37 Allowed 'General case' 0 C--O 1.245 0.829 0 O-C-N 125.395 1.685 . . . . 99.99 110.397 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 81.74 17.05 71.4 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.333 0.396 . . . . 99.99 112.705 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -139.22 136.66 35.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.11 0.964 . . . . 99.99 109.977 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 96.3 m -66.58 -27.88 68.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 124.385 1.074 . . . . 99.99 110.416 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.0 mt 73.83 -71.6 0.13 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.799 1.639 . . . . 99.99 111.174 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.06 137.81 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.948 0.499 . . . . 99.99 110.652 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' E' ' 327' ' ' LYS . 31.8 pt -109.94 133.15 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.193 0.597 . . . . 99.99 109.812 176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . 0.441 HG12 ' HD3' ' E' ' 327' ' ' LYS . 7.5 p -86.71 110.67 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.257 0.551 . . . . 99.99 109.909 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 36.7 m -142.79 107.34 4.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.806 0.842 . . . . 99.99 108.765 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -158.72 105.19 1.8 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -143.89 155.09 43.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 -172.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -124.81 7.83 8.13 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.152 0.581 . . . . 99.99 112.244 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -135.21 102.0 5.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.717 0.807 . . . . 99.99 110.327 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -87.62 -27.44 22.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.762 0.825 . . . . 99.99 110.583 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.59 -176.63 5.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.505 1.122 . . . . 99.99 110.367 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.0 m -122.1 -84.66 0.66 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.847 0.459 . . . . 99.99 109.815 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.584 ' HG3' ' HB2' ' E' ' 402' ' ' ASP . 23.9 mp0 53.8 -157.56 0.18 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 124.088 0.955 . . . . 99.99 110.982 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . 0.416 ' O ' HG22 ' E' ' 399' ' ' VAL . 56.4 mt 70.17 157.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 C-N-CA 123.522 0.729 . . . . 99.99 112.01 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.416 HG22 ' O ' ' E' ' 398' ' ' ILE 0.283 3.2 m 74.6 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.557 0 C-N-CA 127.796 2.438 . . . . 99.99 114.061 174.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.461 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -161.93 -53.33 0.01 OUTLIER Pre-proline 0 CA--C 1.553 1.067 0 CA-C-O 118.309 -0.853 . . . . 99.99 111.373 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 5.7 Cg_exo -79.24 127.12 7.32 Favored 'Trans proline' 0 C--N 1.395 2.976 0 CA-C-N 121.012 1.397 . . . . 99.99 111.199 175.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . 0.584 ' HB2' ' HG3' ' E' ' 397' ' ' GLN . 50.8 m-20 47.81 75.63 0.13 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.402 1.481 . . . . 99.99 113.151 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . 0.571 HG23 ' HG3' ' E' ' 404' ' ' LYS . 9.3 t -160.8 -150.98 0.22 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 105.758 -1.942 . . . . 99.99 105.758 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.639 ' HB3' ' HD3' ' E' ' 248' ' ' ARG . 85.7 mttt 80.39 -42.88 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.764 1.226 . . . . 99.99 111.384 170.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . 0.689 ' HB1' ' H ' ' E' ' 245' ' ' LYS . . . -56.33 -43.34 99.25 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.261 1.024 . . . . 99.99 112.208 170.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -95.38 174.63 1.06 Allowed 'Trans proline' 0 C--N 1.388 2.607 0 C-N-CA 122.665 2.243 . . . . 99.99 112.196 163.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 163.84 41.43 0.02 OUTLIER Glycine 0 C--N 1.349 1.282 0 CA-C-O 119.553 -0.582 . . . . 99.99 113.718 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' B' ' 3' ' ' GLU . 8.0 mp 70.77 -66.73 0.28 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.122 1.769 . . . . 99.99 112.626 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 67.88 20.8 9.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.225 1.41 . . . . 99.99 110.737 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -75.66 80.83 2.63 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.833 0.853 . . . . 99.99 109.932 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.09 14.04 5.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.008 1.323 . . . . 99.99 113.274 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.29 -83.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.918 0.887 . . . . 99.99 111.65 -170.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -162.38 125.06 2.85 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.709 -0.848 . . . . 99.99 108.709 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.9 t -164.26 176.15 9.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.784 0.834 . . . . 99.99 109.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -83.48 130.43 35.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.659 0.784 . . . . 99.99 109.151 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.65 -45.0 31.65 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.564 -0.532 . . . . 99.99 109.564 172.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 59.68 22.33 56.7 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 123.708 0.63 . . . . 99.99 114.212 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.59 126.5 35.31 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.657 0.783 . . . . 99.99 109.814 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . 0.579 HG12 ' H ' ' E' ' 422' ' ' MET . 56.4 t 75.76 -35.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 125.149 1.38 . . . . 99.99 112.74 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.9 mtt 59.72 41.12 18.91 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.706 1.202 . . . . 99.99 112.208 172.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 19.2 t 58.82 45.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.347 0 CA-C-O 122.336 1.065 . . . . 99.99 109.478 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . 0.579 ' H ' HG12 ' E' ' 419' ' ' VAL . 42.0 ttm 65.4 22.48 11.96 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.624 1.57 . . . . 99.99 112.449 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 14.9 m -95.66 49.28 1.17 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.738 0.78 . . . . 99.99 108.945 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -156.48 146.53 21.19 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.699 -1.137 . . . . 99.99 109.209 -165.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 87.38 -48.28 3.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.371 -0.377 . . . . 99.99 112.237 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -84.93 155.73 21.52 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.858 0.863 . . . . 99.99 109.465 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.9 m 63.06 23.71 14.12 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.476 1.111 . . . . 99.99 111.32 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -81.78 87.45 6.34 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.537 -1.283 . . . . 99.99 107.537 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . 0.446 ' HB3' ' H ' ' E' ' 157' ' ' MET . 47.9 mm-40 -90.62 -0.98 57.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.134 -1.394 . . . . 99.99 112.82 -171.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -73.97 -42.3 60.68 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.908 0.483 . . . . 99.99 109.91 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 82.8 p -67.03 -37.59 84.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.005 0.922 . . . . 99.99 110.754 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -33.02 74.92 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.112 . . . . 99.99 109.965 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.85 -42.81 97.49 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.802 0.841 . . . . 99.99 109.885 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -77.53 74.75 4.09 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 122.855 0.462 . . . . 99.99 110.393 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 14.8 p -70.26 99.15 1.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.565 0.746 . . . . 99.99 110.468 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' E' ' 465' ' ' LYS . . . 66.32 37.68 93.04 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.505 -0.77 . . . . 99.99 112.933 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . 0.577 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 70.3 m 63.18 19.79 11.88 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.285 1.034 . . . . 99.99 112.357 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.29 -78.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.259 1.424 . . . . 99.99 110.617 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.95 -21.8 61.55 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.963 0.905 . . . . 99.99 111.927 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 80.25 -43.17 0.24 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.342 1.457 . . . . 99.99 112.293 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.3 mp 77.27 -33.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 125.199 1.4 . . . . 99.99 111.58 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -63.35 94.22 0.08 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.414 0.686 . . . . 99.99 111.414 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -90.45 5.83 45.94 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.574 1.15 . . . . 99.99 112.668 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 62.13 -160.98 0.3 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.609 1.164 . . . . 99.99 112.416 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -151.02 -175.93 23.4 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 119.823 -0.431 . . . . 99.99 113.299 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.94 144.64 83.45 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.229 2.619 . . . . 99.99 112.306 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -76.72 -24.99 53.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.284 0.634 . . . . 99.99 110.488 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -69.26 93.95 0.66 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.302 0.641 . . . . 99.99 110.222 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . 0.471 ' HB1' ' HA3' ' E' ' 453' ' ' GLY . . . -154.2 166.23 33.77 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.046 0.938 . . . . 99.99 109.941 -174.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -135.4 115.93 13.72 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.993 0.517 . . . . 99.99 110.628 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 69.6 t 59.44 -80.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.063 1.345 . . . . 99.99 110.784 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.614 HG12 HD22 ' A' ' 98' ' ' LEU . 24.1 m -95.13 129.59 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.471 ' HA3' ' HB1' ' E' ' 449' ' ' ALA . . . -161.2 29.94 0.32 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 116.447 -0.342 . . . . 99.99 112.565 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.63 120.05 19.66 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 10.6 m -95.79 176.98 5.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.09 0.956 . . . . 99.99 109.705 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.8 153.26 40.53 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 122.825 0.45 . . . . 99.99 110.364 168.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' E' ' 457' ' ' GLN . 0.0 OUTLIER 49.54 32.79 5.13 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.874 1.27 . . . . 99.99 111.996 -177.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 49.9 m -101.71 130.29 48.06 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.093 -0.706 . . . . 99.99 109.093 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.72 115.52 2.61 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 123.917 0.761 . . . . 99.99 109.705 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 44' ' ' LEU . 2.7 pp -70.34 -34.59 72.84 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.426 0.454 . . . . 99.99 111.78 -176.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.499 ' N ' HD12 ' E' ' 460' ' ' LEU . 0.1 OUTLIER -176.94 -39.04 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.133 -1.432 . . . . 99.99 107.133 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -162.3 -179.66 7.18 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.658 0.783 . . . . 99.99 111.715 174.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 86.9 m -125.02 150.68 46.49 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.754 1.222 . . . . 99.99 108.061 168.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 42' ' ' LEU . 98.1 mmm -85.23 18.68 2.51 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.286 0.634 . . . . 99.99 112.402 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.618 ' HA ' ' HA2' ' E' ' 436' ' ' GLY . 3.2 mppt? 62.73 -76.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.411 1.484 . . . . 99.99 110.889 -176.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -159.05 143.98 15.87 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 106.922 -1.511 . . . . 99.99 106.922 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -73.3 -73.51 0.21 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 117.924 0.329 . . . . 99.99 111.364 -172.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pp -174.02 144.05 0.97 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.673 0.389 . . . . 99.99 111.612 -165.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -97.09 38.43 3.1 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-N 116.378 -0.374 . . . . 99.99 112.318 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.41 HD23 ' HD2' ' A' ' 38' ' ' PRO . 4.1 mm? 71.48 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.176 1.39 . . . . 99.99 112.295 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.479 ' HB2' ' HZ3' ' E' ' 471' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.413 0 N-CA-C 106.306 -1.738 . . . . 99.99 106.306 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HA3' ' E' ' 338' ' ' GLY . 16.0 tpt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.502 -0.555 . . . . 99.99 109.502 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -155.9 67.02 0.6 Allowed 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.04 -1.467 . . . . 99.99 107.04 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.39 76.4 5.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.836 -171.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.464 HE22 ' N ' ' A' ' 54' ' ' ASP . 12.9 tt0 67.44 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.841 1.256 . . . . 99.99 111.402 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -100.24 174.91 5.92 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.936 1.294 . . . . 99.99 110.135 -172.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -67.46 174.01 3.68 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.957 0.903 . . . . 99.99 110.906 169.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 152' ' ' HIS . 85.0 m -73.24 -86.9 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 118.937 -0.554 . . . . 99.99 111.49 -173.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 50.32 -155.56 0.12 Allowed 'General case' 0 C--N 1.365 1.281 0 C-N-CA 123.896 0.878 . . . . 99.99 112.085 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.452 ' HB2' ' HB ' ' E' ' 451' ' ' VAL . 22.7 ptt? -156.7 133.18 10.01 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.232 -0.655 . . . . 99.99 109.232 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -166.59 145.22 5.43 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 122.085 0.945 . . . . 99.99 112.49 173.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.35 117.76 14.71 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 104.886 -2.264 . . . . 99.99 104.886 163.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -148.33 135.63 20.39 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 mt -79.45 117.34 24.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.266 -0.642 . . . . 63.61 109.266 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -85.36 -36.31 20.83 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.787 0.435 . . . . 99.99 110.283 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' HD12 ' A' ' 83' ' ' ILE . 45.7 ttt180 -171.46 136.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.738 -0.467 . . . . 87.02 109.738 -166.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -131.56 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.453 -0.943 . . . . 27.8 108.453 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' HE1' HG13 ' A' ' 83' ' ' ILE . 26.9 p90 -162.01 173.02 15.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.699 0.799 . . . . 37.37 111.296 -172.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -94.65 121.83 36.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.324 -0.853 . . . . 12.57 108.823 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 35.9 mtpt -86.93 -17.43 33.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.974 -0.38 . . . . 37.56 109.974 172.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 20.1 t70 -165.71 150.28 8.48 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.825 0.85 . . . . 38.09 110.167 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.4 mt -147.72 148.58 16.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 125.745 1.618 . . . . 5.43 108.097 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -151.91 140.36 20.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.871 0.868 . . . . 6.92 109.427 171.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 63.1 t80 -145.17 126.65 15.02 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 106.265 -1.754 . . . . 5.61 106.265 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.19 135.45 47.42 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.387 -0.597 . . . . 36.27 109.387 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -145.96 75.8 12.82 Favored Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 108.124 -1.065 . . . . 12.68 108.124 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.76 -35.03 17.07 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.427 2.084 . . . . 32.78 110.71 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -94.38 12.56 26.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.135 -1.393 . . . . 80.05 111.227 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.16 -45.16 94.01 Favored Pre-proline 0 CA--C 1.565 1.54 0 C-N-CA 124.005 0.922 . . . . 31.49 113.333 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 14.3 Cg_endo -59.9 -143.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.398 3.145 0 C-N-CA 123.379 2.719 . . . . 44.68 115.28 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 70.7 t60 -57.25 -20.59 28.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.088 1.355 . . . . 99.99 113.215 -176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.71 -21.81 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 120.954 0.406 . . . . 99.99 111.059 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -71.57 -24.04 61.85 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.822 0.849 . . . . 99.99 111.342 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -76.41 -17.13 59.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.038 0.755 . . . . 99.99 113.038 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 174.15 10.31 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 109.188 -0.671 . . . . 99.99 109.188 171.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.18 111.7 0.52 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -98.47 86.1 3.53 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.878 0.871 . . . . 99.99 109.96 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 68' ' ' LEU . 55.3 mt-30 -132.52 77.69 69.2 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 123.777 0.831 . . . . 99.99 109.221 171.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' E' ' 470' ' ' LEU . 53.5 Cg_endo -85.99 164.05 10.19 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 122.816 2.344 . . . . 57.34 112.655 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.66 108.3 20.58 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.747 -1.205 . . . . 99.99 107.747 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.9 t -78.16 102.01 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.457 -0.792 . . . . 48.36 110.291 -177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 86.5 tttt -82.13 120.04 24.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.004 -0.544 . . . . 99.99 109.978 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.72 110.48 23.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.166 -1.42 . . . . 97.85 107.166 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.7 t70 -112.97 136.52 52.55 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.386 0.674 . . . . 85.15 109.962 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.2 pt? -121.84 137.96 54.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.485 1.114 . . . . 99.99 108.698 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -155.91 157.77 36.85 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.107 0.563 . . . . 78.84 110.193 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.4 m -139.74 157.38 45.84 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.328 1.051 . . . . 43.33 110.63 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -147.6 153.93 40.03 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 41.53 108.598 172.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 p -133.14 152.75 51.94 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.841 0.456 . . . . 88.8 110.573 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -158.14 151.98 23.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.155 0.982 . . . . 73.87 109.326 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -112.13 134.49 53.64 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 57' ' ' GLU . 38.1 mt -106.79 -45.32 4.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.998 0.519 . . . . 99.99 111.638 -174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.18 -166.01 1.96 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.811 -167.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.89 105.74 1.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.676 1.19 . . . . 99.99 110.914 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' N ' HE22 ' A' ' 4' ' ' GLN . 18.9 m-20 71.28 1.8 3.98 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.318 1.447 . . . . 99.99 111.895 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -98.25 116.65 41.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.465 0.706 . . . . 99.99 109.469 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 84' ' ' PHE . 38.4 p90 -122.9 157.38 32.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 173.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' HD11 ' A' ' 51' ' ' LEU . 9.8 tm-20 -131.06 142.08 50.25 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.326 1.05 . . . . 57.04 108.324 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 98' ' ' LEU . 9.8 m -130.83 130.97 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 108.71 -0.848 . . . . 54.22 108.71 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 40.4 t -98.14 142.53 14.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 109.18 -0.674 . . . . 29.36 109.18 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -124.78 106.05 9.75 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.56 -1.274 . . . . 19.86 107.56 175.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -101.48 101.01 11.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.22 1.008 . . . . 99.99 108.58 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.04 137.3 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.255 -1.017 . . . . 13.6 108.255 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 6.1 m -126.48 111.72 14.75 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.478 -0.564 . . . . 17.22 109.478 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -102.08 105.66 18.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 107.345 -1.354 . . . . 14.92 107.345 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 20.3 m -112.16 142.95 44.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.882 -0.785 . . . . 21.43 108.882 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.53 104.93 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 107.813 -1.18 . . . . 23.61 107.813 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 40.2 m -132.35 125.08 30.04 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.864 0.466 . . . . 57.75 110.605 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 37' ' ' GLN . 6.9 tt -90.31 86.19 6.42 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.15 -1.426 . . . . 99.99 107.15 168.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -91.25 0.84 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.341 -0.704 . . . . 93.1 111.341 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.47 -3.93 9.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.903 0.881 . . . . 99.99 110.978 174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -88.37 92.91 9.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.72 0.408 . . . . 99.99 110.074 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 89.4 m -73.01 117.82 15.21 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.596 -0.52 . . . . 30.12 109.596 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -54.67 17.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.862 -1.063 . . . . 22.88 108.937 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -158.83 154.08 25.53 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.197 -1.365 . . . . 30.01 110.071 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 41.1 tp -134.65 134.78 41.54 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.449 -1.315 . . . . 14.44 107.449 175.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.2 m -142.24 99.36 3.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.37 0.668 . . . . 14.43 109.56 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.17 122.42 41.97 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.114 -0.699 . . . . 35.14 109.114 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -131.06 115.46 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 122.94 0.496 . . . . 9.47 109.847 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 69.3 mt-30 -86.15 80.49 8.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.822 -0.807 . . . . 43.33 108.822 170.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 106' ' ' LEU . 6.9 tp-100 -77.18 103.08 6.9 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.703 -0.851 . . . . 15.31 108.703 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -103.24 150.59 17.75 Favored Glycine 0 C--N 1.338 0.662 0 N-CA-C 112.343 -0.303 . . . . 20.02 112.343 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -142.79 124.86 2.46 Favored Glycine 0 CA--C 1.507 -0.422 0 N-CA-C 112.302 -0.319 . . . . 41.88 112.302 -168.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' HD3' ' A' ' 15' ' ' ARG . 52.1 mt -84.97 132.24 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.083 0.953 . . . . 66.87 110.088 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' HE1' HG22 ' A' ' 58' ' ' VAL . 20.5 m-85 -133.97 162.06 33.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.396 1.078 . . . . 77.52 109.382 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 p -117.32 122.87 45.1 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.023 0.929 . . . . 99.99 110.353 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.5 tp -105.64 148.61 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.206 1.002 . . . . 99.99 110.781 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.95 140.3 11.84 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.912 0.885 . . . . 99.99 110.093 166.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -33.17 5.22 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 114.476 0.55 . . . . 99.99 114.476 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.11 146.21 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.241 0.616 . . . . 99.99 109.893 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 94' ' ' MET . 9.9 pt-20 -156.89 -152.68 0.38 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.949 0.899 . . . . 99.99 109.238 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.67 -146.37 38.51 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 118.203 0.456 . . . . 99.99 113.22 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -64.56 -25.76 68.12 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 117.023 0.412 . . . . 99.99 111.048 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -57.85 -36.17 71.93 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.362 0.665 . . . . 99.99 111.477 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.522 ' HG2' ' HA ' ' A' ' 90' ' ' GLU . 10.2 mmt -59.92 -46.85 88.04 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 123.297 0.373 . . . . 99.99 111.202 168.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.71 67.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.523 0.329 . . . . 99.99 111.776 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -76.93 -41.43 43.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.698 0.799 . . . . 99.99 110.311 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 42.7 t -69.33 -56.11 8.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.41 1.084 . . . . 99.99 110.994 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.512 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.3 mp -72.85 -20.34 61.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.179 -1.373 . . . . 99.99 112.16 -172.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.43 -32.87 9.05 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-O 118.872 -0.96 . . . . 99.99 115.225 -167.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 134' ' ' ASP . . . -149.72 -37.1 0.16 Allowed 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.291 1.546 . . . . 95.56 114.907 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -64.28 -57.76 8.49 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 119.62 1.1 . . . . 94.48 111.288 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 83.2 m -61.6 -41.4 78.12 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-O 119.127 -0.463 . . . . 73.2 111.517 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 106' ' ' LEU . 83.4 Cg_exo -49.53 -42.01 43.13 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.057 1.838 . . . . 48.9 114.213 161.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.545 HD22 ' HB2' ' A' ' 132' ' ' ASN . 53.5 t30 -72.51 -28.96 63.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 94.19 111.459 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 102' ' ' CYS . 7.0 tp -79.74 -15.99 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 109.779 -0.452 . . . . 55.88 109.779 175.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD21 ' HA3' ' A' ' 82' ' ' GLY . 52.8 mt -81.49 -24.15 36.9 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.313 1.045 . . . . 21.71 110.923 169.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -62.27 -40.44 66.68 Favored Pre-proline 0 CA--C 1.554 1.098 0 CA-C-O 117.745 -1.121 . . . . 15.39 113.793 -171.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.92 -30.16 88.81 Favored 'Trans proline' 0 C--N 1.385 2.471 0 CA-C-N 121.885 1.709 . . . . 9.95 113.25 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -85.66 -31.09 22.71 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.38 0.672 . . . . 20.66 111.097 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.7 85.98 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.029 -0.73 . . . . 7.34 109.029 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -59.9 -43.05 95.06 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 125.216 1.407 . . . . 15.45 110.695 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HG2' HH22 ' B' ' 120' ' ' ARG . 29.5 tt0 -54.2 -39.47 66.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.6 1.16 . . . . 46.26 110.652 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 45.8 t -78.45 -46.34 19.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.501 0.721 . . . . 4.41 111.531 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.432 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 77.5 mt -56.99 -49.59 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.73 1.212 . . . . 7.34 110.802 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.599 HG21 ' HE2' ' C' ' 109' ' ' TYR . 97.7 m -65.08 -38.74 91.72 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.267 -1.333 . . . . 7.28 111.397 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 t -65.81 -39.75 91.21 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.143 -0.481 . . . . 4.96 110.504 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 66.3 mtm -66.62 -41.31 88.54 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.112 0.565 . . . . 48.88 111.737 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.72 -36.33 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 123.037 0.211 . . . . 26.6 111.292 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.0 p -70.85 -36.22 72.76 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.769 0.319 . . . . 17.97 110.767 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.52 -27.07 65.79 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.629 0.771 . . . . 8.38 110.349 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.63 -0.03 89.75 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.579 -0.737 . . . . 6.18 113.916 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.459 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.3 m 62.41 34.87 15.26 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 123.031 1.396 . . . . 20.1 109.964 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.97 164.86 14.98 Favored Pre-proline 0 N--CA 1.474 0.765 0 CA-C-N 113.804 -1.544 . . . . 13.71 109.317 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.16 157.64 38.75 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.145 1.897 . . . . 20.05 111.627 168.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.47 ' OE1' ' HG3' ' C' ' 15' ' ' ARG . 47.9 tt0 -72.46 149.14 44.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.029 0.932 . . . . 39.31 110.17 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.9 106.41 8.4 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.685 0.675 . . . . 56.76 110.12 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -107.75 87.68 2.56 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.268 0.627 . . . . 38.41 110.324 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.57 135.63 40.56 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.429 0.691 . . . . 62.97 110.147 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.79 145.4 81.51 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.14 0.576 . . . . 56.46 111.603 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.603 ' HG3' HD11 ' C' ' 105' ' ' ILE . 64.4 Cg_endo -83.97 122.18 2.93 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.24 2.626 . . . . 77.42 111.255 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' E' ' 458' ' ' THR . 16.8 t -135.15 129.3 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.139 -172.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.545 ' HB2' HD22 ' A' ' 104' ' ' ASN . 46.3 t30 -94.67 111.39 23.16 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.399 0.68 . . . . 99.99 111.311 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -66.59 -33.37 75.51 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.555 0.742 . . . . 99.99 112.236 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 100' ' ' ALA . 34.4 t70 -67.55 -46.19 73.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.477 -0.329 . . . . 99.99 111.446 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.28 -19.04 65.78 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.998 0.811 . . . . 99.99 112.067 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.86 -50.9 30.24 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 108.748 -0.834 . . . . 99.99 108.748 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.31 -36.86 85.33 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.745 -1.116 . . . . 99.99 110.975 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -41.6 67.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 99.99 108.84 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.01 -41.45 83.13 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.959 0.904 . . . . 99.99 110.483 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -76.36 -30.41 57.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.074 0.949 . . . . 99.99 110.55 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.38 -53.16 25.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.641 0.776 . . . . 99.99 109.666 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.636 ' HG3' ' H ' ' A' ' 144' ' ' GLN . 13.7 pt20 -174.64 -21.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 112.439 0.533 . . . . 99.99 112.439 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 56.02 5.25 0.16 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 125.193 1.397 . . . . 99.99 113.99 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 142' ' ' GLN . 25.5 tt0 -75.38 89.43 2.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.084 0.954 . . . . 99.99 110.574 -174.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 55.37 29.62 13.41 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.329 1.052 . . . . 99.99 111.49 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.98 -137.13 14.86 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.979 -0.848 . . . . 99.99 110.979 -170.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.16 141.02 12.11 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.8 -86.41 0.14 Allowed Glycine 0 CA--C 1.499 -0.924 0 N-CA-C 110.009 -1.236 . . . . 99.99 110.009 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m 70.36 157.49 0.17 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.369 1.068 . . . . 99.99 110.833 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 70.16 18.54 6.95 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.129 0.972 . . . . 99.99 110.367 -171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.74 161.44 28.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.089 0.556 . . . . 99.99 110.465 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.44 ' HB3' HG23 ' A' ' 7' ' ' THR . 6.9 m-70 -62.34 -28.08 69.5 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.862 0.465 . . . . 99.99 111.047 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -97.98 -61.24 1.41 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.561 0.744 . . . . 99.99 109.138 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t70 65.98 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.417 1.487 . . . . 99.99 112.463 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 123.712 0.805 . . . . 99.99 109.509 -177.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.783 0.801 . . . . 99.99 110.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.48 ' HA ' HG23 ' B' ' 7' ' ' THR . 65.0 m -92.91 -20.45 20.63 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.087 0.555 . . . . 99.99 112.457 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.42 -17.86 62.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.725 0.81 . . . . 99.99 112.292 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -76.94 22.41 0.19 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 113.478 0.918 . . . . 99.99 113.478 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 74.64 -66.19 0.31 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 126.04 1.736 . . . . 99.99 110.983 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . 0.483 HD22 ' HA ' ' B' ' 10' ' ' THR . 71.4 m-20 -65.77 -30.75 71.45 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.862 0.865 . . . . 99.99 111.247 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.48 HG23 ' HA ' ' B' ' 2' ' ' SER . 80.6 m 73.96 -58.0 0.6 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.085 1.354 . . . . 99.99 111.198 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.53 88.16 6.2 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.449 -0.945 . . . . 99.99 108.449 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' B' ' 6' ' ' ASN . 0.3 OUTLIER 67.23 171.31 0.26 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.587 1.155 . . . . 99.99 111.283 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.483 ' HA ' HD22 ' B' ' 6' ' ' ASN . 13.7 t -142.73 138.9 30.85 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.691 -0.63 . . . . 99.99 110.26 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' B' ' 85' ' ' SER . 40.7 t80 -148.6 145.35 27.76 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.135 -0.484 . . . . 93.55 110.489 -176.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -168.38 111.62 0.59 Allowed 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.869 0.731 . . . . 99.99 110.471 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 71.5 mt -66.7 112.23 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.115 -0.698 . . . . 40.88 109.115 174.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.19 -45.0 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.088 0.555 . . . . 85.25 111.465 -175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.459 HH21 ' HB ' ' A' ' 122' ' ' THR . 64.8 ttt180 -155.35 144.04 20.53 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 120.704 0.288 . . . . 95.33 111.371 -173.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.0 mt -114.67 143.03 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.236 1.415 . . . . 13.6 107.223 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HE1' HG13 ' B' ' 83' ' ' ILE . 13.7 p90 -176.43 152.98 1.13 Allowed 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.49 0.586 . . . . 23.1 111.875 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.575 HG21 HD11 ' B' ' 21' ' ' ILE . 28.2 m -86.35 121.55 29.08 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.6 -0.727 . . . . 6.51 109.467 174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -89.49 -34.0 16.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.768 0.427 . . . . 19.94 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.0 t70 -145.31 138.3 26.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.966 -0.561 . . . . 37.8 110.413 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.575 HD11 HG21 ' B' ' 18' ' ' THR . 33.7 mm -127.3 140.47 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 107.928 -1.138 . . . . 5.14 107.928 169.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 48.2 t -147.36 135.34 21.32 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.306 -0.998 . . . . 19.25 108.306 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 90.2 t80 -152.9 116.97 4.85 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.2 -1.037 . . . . 9.84 108.2 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 75' ' ' LEU . 37.0 mt-10 -122.32 113.95 20.11 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.95 -0.759 . . . . 50.65 108.95 177.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -115.98 85.79 15.51 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.718 0.807 . . . . 18.09 109.522 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.1 -25.83 22.11 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.314 2.009 . . . . 31.77 111.325 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 90.3 m-20 -120.83 29.71 7.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.557 1.143 . . . . 49.39 110.13 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.26 -50.99 53.44 Favored Pre-proline 0 CA--C 1.566 1.595 0 C-N-CA 124.709 1.204 . . . . 51.5 113.294 170.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 89.6 Cg_endo -83.61 0.81 9.26 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.008 1.805 . . . . 70.98 113.709 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 13.9 m170 -86.53 -14.69 42.26 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.214 0.606 . . . . 99.99 111.498 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.67 -17.55 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 121.505 0.669 . . . . 99.99 110.333 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -67.62 -37.79 83.0 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.948 0.899 . . . . 99.99 110.164 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.604 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 4.0 pt20 -88.96 -33.87 17.08 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.215 0.606 . . . . 99.99 111.354 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.604 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 92.5 mttt -107.83 93.08 4.35 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.76 0.824 . . . . 98.87 111.179 -175.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -100.85 99.74 10.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.265 0.626 . . . . 99.99 109.903 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -166.94 -170.86 1.65 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.616 0.766 . . . . 99.99 110.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -84.23 122.2 75.53 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.512 0.725 . . . . 99.99 110.099 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -75.22 135.28 18.47 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 121.376 1.384 . . . . 63.52 113.714 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 0.7 OUTLIER -52.98 128.52 27.52 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.322 1.049 . . . . 99.99 109.366 164.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 65' ' ' THR . 7.6 m -124.86 123.71 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.211 0.529 . . . . 72.1 111.488 -173.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.4 mtpm? -114.56 129.31 56.65 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.835 0.854 . . . . 99.99 110.428 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' E' ' 6' ' ' ILE . 50.1 tp -95.59 126.64 41.01 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.848 -0.797 . . . . 96.73 108.848 169.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.706 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.7 m-20 -128.82 136.59 50.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 107.613 -1.255 . . . . 92.63 107.613 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -122.32 132.64 54.5 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.999 0.363 . . . . 67.27 110.568 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -126.26 150.26 48.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.117 0.967 . . . . 58.71 109.845 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 67.3 p -127.44 129.55 47.69 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.1 0.96 . . . . 66.97 110.01 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.56 132.07 14.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.233 1.013 . . . . 35.64 108.508 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 97.8 p -142.34 179.48 6.91 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.524 0.329 . . . . 74.75 110.998 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 73.8 p -158.6 166.29 32.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.741 0.816 . . . . 43.74 110.039 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -105.32 134.79 47.85 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.308 -0.627 . . . . 89.61 109.308 170.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -99.87 -41.6 7.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.052 0.541 . . . . 71.01 110.516 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.61 -166.9 0.8 Allowed 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.666 0.786 . . . . 85.91 110.92 -173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.94 111.78 3.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.858 -1.064 . . . . 99.99 110.107 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 68.05 -4.48 1.03 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.98 1.712 . . . . 99.99 112.892 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.9 113.45 40.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 N-CA-C 107.919 -1.141 . . . . 76.71 107.919 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -123.11 -179.35 4.25 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 108.907 -0.775 . . . . 98.07 108.907 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.3 tm-20 -142.87 107.19 4.76 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.393 -1.336 . . . . 46.84 107.393 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.495 ' HB ' ' CZ ' ' B' ' 84' ' ' PHE . 48.2 t -120.11 128.64 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.907 0.483 . . . . 57.34 109.925 -171.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.18 150.22 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.497 1.119 . . . . 21.57 109.556 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tt -131.71 115.17 15.66 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 107.422 -1.325 . . . . 62.33 107.422 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.696 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 21.5 ttp180 -88.7 128.02 35.6 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.887 0.875 . . . . 95.32 110.624 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.09 104.11 16.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.589 -1.187 . . . . 14.84 108.224 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.706 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 20.9 m -98.1 135.53 39.65 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.789 . . . . 28.15 108.874 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.664 HG13 HG21 ' E' ' 6' ' ' ILE . 60.3 t -130.99 135.77 59.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 124.42 1.088 . . . . 18.14 109.0 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.4 m -118.72 148.25 42.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.755 0.822 . . . . 24.35 109.41 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.77 126.75 15.48 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.989 0.915 . . . . 26.44 109.025 177.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.542 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 33.5 m -138.3 133.09 32.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.822 0.449 . . . . 56.64 111.661 -172.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 92.3 mt -106.36 105.78 15.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.411 0.684 . . . . 62.67 110.184 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.19 -111.16 3.22 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.756 -0.656 . . . . 81.37 111.618 -175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 2.9 16.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.321 1.048 . . . . 99.99 111.595 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.503 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.0 pt-20 -121.23 152.4 38.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.404 0.681 . . . . 99.99 110.636 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.3 m -84.77 115.5 22.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.537 0.735 . . . . 33.32 111.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -70.8 -53.94 13.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.018 0.927 . . . . 25.99 109.725 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -152.88 166.23 32.97 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 122.025 0.917 . . . . 18.76 112.25 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 56.9 mt -129.88 127.56 40.42 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 106.157 -1.794 . . . . 16.93 106.157 174.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.6 t -127.15 137.87 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.193 -1.04 . . . . 12.76 108.193 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.5 tt0 -159.13 132.57 7.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 122.289 -0.257 . . . . 30.38 110.441 -168.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' B' ' 113' ' ' CYS . 60.7 t -132.72 148.44 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.524 0.73 . . . . 8.91 110.444 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.696 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 42.2 mt-30 -115.99 102.33 9.55 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.205 -1.035 . . . . 33.15 108.205 165.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.415 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 9.0 tp-100 -89.41 101.55 14.22 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.194 -1.039 . . . . 11.26 108.194 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.19 162.74 29.89 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 115.478 -0.783 . . . . 11.78 111.847 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.76 2.06 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 111.637 -0.585 . . . . 23.01 111.637 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 29' ' ' PRO . 77.8 mt -86.2 123.94 39.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.951 -1.129 . . . . 39.34 107.951 168.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.495 ' CZ ' ' HB ' ' B' ' 58' ' ' VAL . 5.8 p90 -152.06 161.74 42.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.36 0.664 . . . . 63.88 110.328 174.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 35.5 t -86.45 115.16 23.77 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.855 -1.535 . . . . 82.93 106.855 175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 98' ' ' LEU . 1.9 tp -141.1 97.14 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 N-CA-C 108.25 -1.018 . . . . 98.2 108.25 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.08 172.3 17.05 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.93 0.492 . . . . 99.99 111.872 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.94 -68.5 0.22 Allowed Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.882 -0.599 . . . . 99.99 111.67 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 16.9 pt -89.65 171.3 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.66 0.784 . . . . 99.99 111.162 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -179.0 6.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.806 0.842 . . . . 99.99 110.289 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 -135.63 28.38 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.701 -0.682 . . . . 99.99 113.348 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.0 t -72.76 -24.19 60.92 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 99.99 111.231 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 24.6 mp0 -71.72 -39.35 70.18 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.168 -0.924 . . . . 99.99 111.14 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.65 ' SD ' HG22 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -79.96 -38.08 33.04 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.933 -0.765 . . . . 99.99 108.933 177.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.17 65.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.522 1.129 . . . . 99.99 111.004 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' E' ' 64' ' ' ALA . 18.4 t-80 -61.36 -50.44 72.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.024 -1.444 . . . . 99.99 112.27 174.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.81 -59.18 2.95 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.956 -0.566 . . . . 99.99 111.48 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.501 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 0.6 OUTLIER -78.54 -1.56 34.52 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.199 0.444 . . . . 71.23 112.199 179.025 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.2 1.94 35.12 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-O 119.692 -0.504 . . . . 59.87 113.469 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.88 -59.87 0.13 Allowed 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 117.463 0.631 . . . . 71.19 111.248 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.92 -37.51 76.82 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.468 1.107 . . . . 99.99 111.555 -173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 8.2 m -89.47 -54.1 0.32 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 123.397 0.679 . . . . 50.37 112.243 -176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 27.2 Cg_exo -63.08 -19.36 68.75 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.291 1.994 . . . . 36.29 113.644 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -51.01 -43.59 60.86 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.177 0.991 . . . . 87.59 111.798 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.57 -28.47 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.782 -0.645 . . . . 37.19 109.947 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.3 mt -75.51 -25.89 57.65 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.468 0.707 . . . . 13.07 112.71 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.82 -46.84 98.36 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 113.959 1.096 . . . . 99.99 113.959 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -49.39 -43.41 38.34 Favored 'Trans proline' 0 C--N 1.39 2.757 0 C-N-CA 122.534 2.156 . . . . 10.37 114.02 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -71.29 -40.52 70.82 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.699 -0.682 . . . . 12.29 111.263 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.48 -33.49 72.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.555 0.342 . . . . 8.75 111.142 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -61.93 -54.82 36.61 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.045 0.938 . . . . 59.14 110.994 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.66 -33.28 75.57 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.832 0.707 . . . . 51.9 109.763 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.567 ' HB3' HG21 ' B' ' 78' ' ' VAL . 1.8 m -57.41 -55.17 38.28 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.872 0.869 . . . . 13.3 111.596 171.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.449 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 45.1 mt -60.68 -47.45 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.062 0.545 . . . . 9.86 111.153 -177.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 27.0 m -64.12 -27.9 69.4 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.234 0.614 . . . . 13.13 111.301 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -67.35 -45.71 75.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.053 0.541 . . . . 8.02 111.079 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -69.81 -31.21 68.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.167 0.432 . . . . 26.78 112.167 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.9 t -65.77 -40.45 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 121.164 0.506 . . . . 13.3 109.64 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -67.05 -37.09 83.46 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.083 -0.962 . . . . 29.79 111.282 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.565 HH22 ' HG2' ' A' ' 112' ' ' GLU . 87.0 mtt-85 -75.8 -30.98 59.24 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.349 -0.841 . . . . 11.55 110.357 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.05 -0.6 86.13 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.793 0.683 . . . . 16.97 112.879 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 64.6 p 55.9 31.68 18.27 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.718 1.607 . . . . 23.15 112.547 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' B' ' 28' ' ' ALA . 72.4 m-85 -93.51 157.61 38.23 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 115.138 -0.937 . . . . 23.84 109.09 171.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.85 129.47 35.33 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.913 2.408 . . . . 29.89 112.006 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -56.52 134.67 54.34 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.549 1.139 . . . . 99.99 111.21 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.68 118.2 19.68 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.767 -0.827 . . . . 72.13 108.767 -177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' E' ' 304' ' ' PRO . 5.5 t30 -93.18 125.68 37.9 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.001 0.92 . . . . 73.04 109.029 175.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 18.3 mt -76.56 140.88 41.27 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.476 -0.564 . . . . 90.81 109.476 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.75 136.3 95.81 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 123.311 0.644 . . . . 43.15 111.236 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.33 94.42 0.2 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.849 2.366 . . . . 61.27 111.258 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.419 HG11 ' O ' ' E' ' 8' ' ' LEU . 97.4 t -91.07 111.8 24.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 115.44 -0.8 . . . . 99.57 109.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -110.5 74.8 0.89 Allowed 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.356 -0.979 . . . . 99.99 108.356 165.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -60.34 -36.7 78.57 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.861 -1.063 . . . . 99.99 109.135 171.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -41.81 61.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.089 1.356 . . . . 99.99 111.721 173.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' E' ' 73' ' ' ASP . . . -74.87 -32.43 61.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.674 0.79 . . . . 99.99 111.937 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.72 -47.56 85.71 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.808 0.843 . . . . 99.99 110.416 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 97.1 m-85 -71.22 -38.05 72.03 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.536 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.41 64.91 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.459 0.703 . . . . 99.99 111.028 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -74.93 -24.46 58.49 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.81 -1.086 . . . . 99.99 110.484 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -84.57 -25.18 28.87 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.058 0.943 . . . . 99.99 110.822 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 79.8 mt -83.09 35.82 0.49 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.299 1.04 . . . . 99.99 111.973 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . 77.2 mt-30 -78.53 174.61 11.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.231 0.539 . . . . 99.99 110.826 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' B' ' 143' ' ' GLN . 3.1 pp0? -81.38 34.16 0.37 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.016 0.926 . . . . 99.99 112.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.457 ' HG2' ' HB2' ' B' ' 142' ' ' GLN . 87.6 mm-40 -67.57 -15.6 63.74 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 99.99 111.564 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.91 163.96 0.27 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.052 1.341 . . . . 99.99 111.478 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.5 13.09 83.59 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.189 -173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -109.55 -179.09 3.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.333 1.053 . . . . 99.99 110.221 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.39 61.72 0.06 OUTLIER Glycine 0 C--N 1.339 0.701 0 N-CA-C 111.603 -0.599 . . . . 99.99 111.603 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 54.3 m -151.47 95.5 2.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.411 0.685 . . . . 99.99 109.558 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 72.82 -31.83 0.23 Allowed 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.495 1.918 . . . . 99.99 114.403 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -177.39 5.73 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.415 0.686 . . . . 99.99 111.591 -168.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -70.92 80.27 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.841 0.713 . . . . 99.99 110.176 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 176.45 -51.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.05 -73.47 0.29 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.638 -1.165 . . . . 99.99 109.788 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.765 -0.636 . . . . 99.99 109.697 -178.336 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtm . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.16 -0.311 . . . . 99.99 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.469 ' HB2' HG23 ' E' ' 137' ' ' THR . 50.0 m -84.09 -164.11 0.89 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.666 0.787 . . . . 99.99 110.569 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' E' ' 137' ' ' THR . 33.7 tt0 77.39 -72.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.246 1.018 . . . . 99.99 111.629 168.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.406 ' H ' ' HG3' ' C' ' 4' ' ' GLN . 3.2 pp0? -91.41 154.4 19.2 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.176 0.99 . . . . 99.99 110.834 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . 0.442 HD21 ' HB3' ' C' ' 8' ' ' GLU . 4.1 p30 -143.82 -85.3 0.14 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.578 0.751 . . . . 99.99 110.141 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -133.16 -61.74 0.82 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.785 -0.82 . . . . 99.99 108.785 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 34.6 m -128.44 -33.43 2.12 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.017 0.527 . . . . 99.99 110.398 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.442 ' HB3' HD21 ' C' ' 5' ' ' ASN . 43.4 tt0 -67.4 80.94 0.15 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.526 0.73 . . . . 99.99 110.784 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 54.0 ttp 60.39 114.31 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.468 1.507 . . . . 99.99 112.116 -174.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -116.73 98.39 6.49 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 169.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -116.66 163.07 16.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.788 -1.096 . . . . 99.99 108.406 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.494 HE21 HE22 ' C' ' 14' ' ' GLN . 29.0 tt0 -167.75 110.37 0.63 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.079 0.951 . . . . 99.99 108.686 166.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -59.01 124.95 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 108.598 -0.89 . . . . 56.3 108.598 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.494 HE22 HE21 ' C' ' 12' ' ' GLN . 25.9 mm-40 -94.68 -53.46 3.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 119.127 -0.463 . . . . 93.16 110.221 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.47 ' HG3' ' OE1' ' A' ' 125' ' ' GLN . 0.0 OUTLIER 175.11 166.51 0.29 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 124.674 1.234 . . . . 99.99 110.409 174.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -127.2 151.3 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.646 1.178 . . . . 11.74 107.991 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.401 ' HB2' ' HA2' ' D' ' 121' ' ' GLY . 30.9 p90 -176.19 159.5 2.08 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.594 0.634 . . . . 19.28 111.337 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.447 HG22 HE22 ' C' ' 80' ' ' GLN . 69.6 p -82.35 114.9 21.13 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.327 -0.851 . . . . 6.91 109.059 176.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -80.1 -38.38 31.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.95 -0.759 . . . . 21.95 108.95 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 11.9 t70 -142.58 139.28 31.29 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.324 -1.307 . . . . 50.62 109.29 -175.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 80.7 mt -136.21 148.94 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.217 1.407 . . . . 5.12 107.236 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.2 t -157.65 151.14 23.74 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.501 0.667 . . . . 9.28 110.623 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -147.72 133.66 19.15 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.498 -1.297 . . . . 8.82 107.498 171.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.7 mt-10 -133.27 118.45 18.57 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.003 -0.74 . . . . 30.58 109.003 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.73 80.09 44.65 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.993 -0.743 . . . . 12.04 108.993 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.34 -33.32 18.46 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.599 2.2 . . . . 30.41 110.88 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -98.7 29.32 3.78 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 113.923 -1.49 . . . . 61.38 110.189 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -56.47 -46.37 99.82 Favored Pre-proline 0 CA--C 1.564 1.517 0 C-N-CA 123.585 0.754 . . . . 26.66 112.592 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 7.8 Cg_exo -78.4 -36.0 1.05 Allowed 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 121.958 1.772 . . . . 35.22 112.863 170.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -67.92 -23.08 65.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.197 0.999 . . . . 48.75 112.313 -174.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.719 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 9.4 p -75.94 -20.68 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.618 0.367 . . . . 55.24 111.42 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.37 -22.77 66.26 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.783 0.433 . . . . 99.99 111.543 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -107.48 34.72 3.37 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.083 0.953 . . . . 97.11 110.727 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 17.3 ttmm -118.16 160.24 21.91 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.854 0.462 . . . . 88.6 111.924 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -81.97 131.87 35.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.88 0.872 . . . . 99.99 109.224 170.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -81.68 90.1 6.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.071 0.549 . . . . 99.99 110.334 -174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 8.2 tt0 -148.28 51.42 1.03 Allowed Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.633 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 17.1 Cg_exo -68.66 119.87 6.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 122.343 2.029 . . . . 68.93 110.973 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.63 85.51 7.26 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 106.627 -1.62 . . . . 99.99 106.627 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -62.77 130.54 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 113.96 -1.473 . . . . 87.15 110.253 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -136.57 146.83 46.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.996 1.318 . . . . 99.99 109.036 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.402 ' H ' HD13 ' C' ' 42' ' ' LEU . 0.0 OUTLIER -114.26 163.53 15.14 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.271 -0.64 . . . . 94.05 109.271 171.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -148.68 135.7 20.03 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.146 0.978 . . . . 99.99 108.699 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.652 HD12 HD12 ' C' ' 136' ' ' LEU . 78.2 mt -119.67 152.72 36.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.114 0.566 . . . . 71.87 110.131 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.697 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 25.0 t70 -150.81 138.01 19.34 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.878 -1.156 . . . . 92.17 107.878 174.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 23.3 m -134.36 122.81 23.14 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.384 0.538 . . . . 62.96 110.831 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.39 158.54 26.94 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.438 1.095 . . . . 35.73 108.84 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -145.44 143.5 30.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.816 0.446 . . . . 56.22 110.024 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 57.2 p -150.18 141.57 23.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.38 0.672 . . . . 43.42 110.519 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -78.26 133.22 37.71 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.306 0.642 . . . . 99.99 110.389 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.6 mt -106.19 -42.44 5.07 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.09 0.956 . . . . 61.44 109.762 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.38 -170.04 3.42 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.965 -1.016 . . . . 94.06 110.067 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.76 101.67 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.056 1.342 . . . . 99.99 111.469 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 62.47 9.13 3.21 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.1 1.36 . . . . 99.99 113.514 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -94.67 102.36 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.231 -1.025 . . . . 81.86 108.231 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -115.01 124.25 51.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.274 0.63 . . . . 99.99 110.56 -174.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.666 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -83.7 123.84 30.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.787 0.835 . . . . 35.21 110.054 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 65.9 t -107.02 116.68 51.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.991 -1.115 . . . . 29.6 107.991 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.39 135.38 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.675 0.79 . . . . 20.9 109.404 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' C' ' 103' ' ' PRO . 26.1 tp -125.13 106.29 9.8 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.331 1.052 . . . . 69.19 108.958 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 7.5 ttt180 -80.35 125.73 30.27 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.292 1.037 . . . . 99.99 109.134 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.43 124.99 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.541 1.136 . . . . 14.53 108.142 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 20.0 m -130.41 122.12 27.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.927 0.491 . . . . 20.42 109.767 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.539 HG23 HD13 ' C' ' 114' ' ' ILE . 87.4 t -102.07 116.92 46.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 123.939 0.895 . . . . 17.7 109.179 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -101.02 138.33 38.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.096 -0.705 . . . . 29.53 109.096 173.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.9 101.94 5.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.616 -1.253 . . . . 32.22 107.616 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -146.65 150.75 36.05 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.823 0.849 . . . . 59.66 108.788 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -112.86 47.91 1.06 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.141 0.972 . . . . 97.29 109.008 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.0 -120.92 3.94 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.027 -1.442 . . . . 76.35 111.017 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.11 -26.58 21.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.635 0.774 . . . . 99.99 109.506 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.88 111.49 12.47 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.807 -1.088 . . . . 77.02 109.895 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 26.6 m -88.29 132.25 34.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.621 0.769 . . . . 37.0 110.549 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.24 -57.75 3.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.629 0.772 . . . . 34.06 109.194 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -166.49 174.31 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.919 0.888 . . . . 39.96 110.491 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.3 tm? -140.86 142.59 34.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.034 -1.469 . . . . 16.54 107.034 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 48.1 t -142.01 143.74 33.32 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.745 -0.835 . . . . 10.97 108.745 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -152.32 133.9 14.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.914 0.486 . . . . 36.61 110.154 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 70.5 t -136.02 117.35 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.988 0.915 . . . . 9.25 109.0 176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.753 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.9 mt-30 -88.05 93.75 9.58 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.975 -1.12 . . . . 25.23 107.975 171.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.447 HE22 HG22 ' C' ' 18' ' ' THR . 8.9 tp-100 -80.88 120.75 25.11 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.705 -1.134 . . . . 10.64 110.457 -176.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.35 151.02 19.52 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 112.134 -0.387 . . . . 10.6 112.134 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.499 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -150.74 119.15 0.98 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 110.786 -0.926 . . . . 19.17 110.786 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.535 HD12 HD11 ' C' ' 51' ' ' LEU . 12.5 mm -85.9 120.68 36.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.15 -0.685 . . . . 30.38 109.15 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -131.75 118.14 19.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.637 0.775 . . . . 49.62 109.149 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 61.9 m -82.93 117.6 22.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.775 -0.824 . . . . 92.15 108.775 173.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' C' ' 94' ' ' MET . 11.6 tt -157.54 126.71 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 122.566 0.347 . . . . 99.99 110.951 -173.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.93 -13.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.005 0.743 . . . . 99.99 113.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.23 -36.04 80.86 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.179 0.832 . . . . 99.99 115.179 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' E' ' 276' ' ' PRO . 37.7 mm 72.29 128.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.942 1.297 . . . . 99.99 110.264 -175.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.02 63.26 1.24 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.542 -0.91 . . . . 99.99 108.542 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 53.35 -125.04 30.49 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.743 -1.117 . . . . 99.99 113.884 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -83.81 -21.37 32.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.383 0.673 . . . . 99.99 111.589 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -61.02 -67.46 0.4 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.786 0.435 . . . . 99.99 110.735 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.507 ' HG2' HD11 ' C' ' 86' ' ' ILE . 1.1 tmt? -63.16 -36.97 85.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.364 0.665 . . . . 99.99 111.717 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.8 97.53 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.21 0.604 . . . . 99.99 111.447 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' E' ' 280' ' ' LEU . 24.4 t-80 -83.93 -21.61 31.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.168 0.587 . . . . 99.99 110.985 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.2 t -70.29 -43.36 70.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.229 0.612 . . . . 99.99 110.74 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 2.3 pp -72.23 -27.99 62.88 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.952 -0.388 . . . . 99.99 109.952 177.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.92 -31.82 42.35 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 115.764 -0.653 . . . . 68.51 113.546 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' C' ' 134' ' ' ASP . . . -123.41 -58.91 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.382 0.591 . . . . 56.52 111.81 -173.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.464 ' O ' HG12 ' C' ' 105' ' ' ILE . 5.4 t80 -64.44 -35.6 81.43 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.294 0.638 . . . . 99.99 110.999 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 73.5 m -71.21 -48.41 13.22 Favored Pre-proline 0 CA--C 1.567 1.617 0 CA-C-O 118.775 -0.631 . . . . 56.59 111.957 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.402 ' HB3' HD22 ' C' ' 60' ' ' LEU . 59.2 Cg_exo -50.45 -35.01 43.82 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.467 2.112 . . . . 39.21 114.914 164.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . 0.601 ' HB2' ' HB3' ' C' ' 134' ' ' ASP . 27.3 t-20 -63.56 -34.95 78.94 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.172 0.589 . . . . 71.72 110.445 175.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 130' ' ' PRO . 30.8 mm -70.85 -38.75 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.875 0.87 . . . . 8.71 111.063 177.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.499 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.1 mt -73.44 -26.1 60.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.946 -0.57 . . . . 37.06 111.292 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.27 -57.24 21.29 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.803 -1.094 . . . . 16.74 113.722 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -60.52 -31.45 92.4 Favored 'Trans proline' 0 C--N 1.384 2.444 0 C-N-CA 122.458 2.106 . . . . 9.85 113.268 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.599 ' HE2' HG21 ' A' ' 115' ' ' THR . 89.0 m-85 -71.92 -36.58 70.0 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 122.919 0.488 . . . . 5.88 111.649 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.97 -35.38 66.9 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.253 -0.431 . . . . 7.64 110.14 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 56.0 ttt-85 -62.78 -58.21 8.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.06 1.344 . . . . 20.64 111.735 -173.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -30.23 70.36 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.422 0.452 . . . . 38.86 110.612 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.64 -29.65 67.18 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.622 0.369 . . . . 13.9 110.767 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.539 HD13 HG23 ' C' ' 64' ' ' VAL . 68.9 mt -73.09 -49.12 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.456 0.703 . . . . 8.58 109.71 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 53.7 m -62.8 -31.29 72.24 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.094 0.958 . . . . 8.54 111.569 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 28.9 t -68.36 -47.6 66.99 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.594 -0.891 . . . . 6.56 108.594 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.611 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -59.8 -37.9 80.43 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.541 1.136 . . . . 5.22 112.511 178.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.25 -45.43 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.175 0.59 . . . . 28.53 110.072 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.5 t -70.94 -25.21 62.65 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.738 0.815 . . . . 17.6 111.685 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -74.78 -32.5 62.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.728 0.811 . . . . 7.72 109.532 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.49 9.53 61.55 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.756 0.66 . . . . 10.8 112.832 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . 0.431 HG23 ' HB3' ' D' ' 17' ' ' TYR . 62.0 p 56.59 23.2 7.41 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.42 1.888 . . . . 15.17 112.904 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.568 ' HE1' HG11 ' C' ' 31' ' ' VAL . 56.1 m-85 -82.56 167.57 29.14 Favored Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 124.317 1.047 . . . . 24.81 109.281 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.648 ' HG3' ' H ' ' E' ' 297' ' ' TYR . 86.6 Cg_endo -69.26 176.64 6.13 Favored 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 122.233 1.955 . . . . 29.42 112.908 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.71 109.98 1.04 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-N 115.568 -0.742 . . . . 72.03 110.038 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -130.75 82.05 2.03 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.047 -1.835 . . . . 59.85 106.047 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -91.98 124.42 36.07 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.136 -1.801 . . . . 41.85 106.136 171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 127.26 31.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.421 -0.585 . . . . 38.57 109.421 -175.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' E' ' 291' ' ' LEU . . . -59.05 142.12 85.76 Favored Pre-proline 0 C--O 1.243 0.739 0 O-C-N 123.915 0.76 . . . . 24.62 111.901 -174.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 19.0 Cg_exo -67.44 84.58 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.822 2.348 . . . . 24.48 111.821 176.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 93.9 t -118.34 139.65 44.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.028 -0.987 . . . . 68.05 108.475 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.59 83.56 0.85 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.4 0.619 . . . . 99.99 111.123 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -81.19 -11.36 59.44 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.808 -0.633 . . . . 99.99 111.273 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.601 ' HB3' ' HB2' ' C' ' 104' ' ' ASN . 2.5 p-10 -58.07 -35.52 71.5 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.341 1.056 . . . . 99.99 110.264 160.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.41 24.3 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.155 0.982 . . . . 99.99 113.254 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.652 HD12 HD12 ' C' ' 44' ' ' LEU . 2.0 tm? -68.44 -25.5 65.04 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.041 0.936 . . . . 99.99 111.964 -177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . 0.602 ' HB2' ' HD2' ' E' ' 281' ' ' PHE . 0.0 OUTLIER -47.8 -40.96 22.42 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 115.066 1.506 . . . . 99.99 115.066 -174.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -79.22 -37.62 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.406 1.082 . . . . 99.99 110.236 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -64.25 -37.48 87.64 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.943 -1.026 . . . . 99.99 110.938 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -69.48 -93.12 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 O-C-N 123.874 0.733 . . . . 99.99 110.544 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -131.68 91.67 3.03 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.07 55.69 0.19 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 99.99 108.187 174.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 44.6 84.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.325 1.45 . . . . 99.99 112.327 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.98 79.43 1.18 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 122.094 0.95 . . . . 99.99 110.257 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -162.42 14.37 0.08 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.75 1.62 . . . . 99.99 109.176 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -152.07 71.29 0.29 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.78 -60.86 2.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.599 1.159 . . . . 99.99 110.563 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.86 5.05 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 115.764 -0.653 . . . . 99.99 113.352 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 24.8 p -63.86 -17.14 62.86 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 125.062 1.345 . . . . 99.99 113.777 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -72.29 -56.38 5.61 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 110.281 -0.266 . . . . 99.99 110.281 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.48 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.4 0.437 . . . . 99.99 111.684 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -116.46 -88.82 0.58 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.588 0.755 . . . . 99.99 109.845 -174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -153.54 -46.61 0.09 Allowed 'General case' 0 C--N 1.35 0.606 0 N-CA-C 107.784 -1.191 . . . . 99.99 107.784 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.29 106.07 16.06 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 106.761 -1.57 . . . . 99.99 106.761 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 C-N-CA 124.306 1.042 . . . . 99.99 110.271 -167.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.388 -0.597 . . . . 99.99 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' D' ' 5' ' ' ASN . 75.6 m -76.19 71.68 2.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.119 0.567 . . . . 99.99 112.271 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.4 -45.51 62.58 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.587 0.708 . . . . 99.99 110.028 173.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -85.69 -25.8 26.31 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.51 -1.223 . . . . 99.99 111.044 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . 0.749 ' HB2' ' HB3' ' D' ' 2' ' ' SER . 71.1 m-20 -81.88 108.95 15.8 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.176 -0.676 . . . . 99.99 109.176 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.69 -173.07 2.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.901 0.88 . . . . 99.99 109.972 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 64.5 m -60.6 110.23 1.23 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.939 0.895 . . . . 99.99 112.649 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.17 -179.09 6.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.981 -1.008 . . . . 99.99 109.226 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 15.4 ttt -28.58 128.29 0.08 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.243 1.417 . . . . 99.99 114.348 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -107.02 144.29 33.87 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.514 0.725 . . . . 99.99 109.299 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -143.85 117.14 9.02 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 108.29 -1.004 . . . . 76.43 108.29 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.57 138.21 41.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.624 0.77 . . . . 99.99 109.575 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.655 HD13 HG21 ' D' ' 105' ' ' ILE . 22.4 mt -95.27 114.6 32.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.443 -0.947 . . . . 41.34 108.443 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -82.42 -47.17 12.58 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.755 0.659 . . . . 79.46 110.991 -171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.457 HH12 ' HA ' ' E' ' 301' ' ' ILE . 49.0 ttt180 -166.91 124.15 1.26 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 -170.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.591 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -117.73 138.93 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 N-CA-C 108.404 -0.962 . . . . 53.22 108.404 178.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.431 ' HB3' HG23 ' C' ' 122' ' ' THR . 42.3 p90 -164.36 157.52 17.62 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.542 0.526 . . . . 19.87 111.125 -173.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.6 p -79.93 115.73 19.68 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.156 -0.929 . . . . 8.43 109.461 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -81.0 -26.2 36.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.48 -0.563 . . . . 36.9 109.48 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.1 t70 -156.63 146.61 21.07 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.491 1.116 . . . . 36.68 109.056 177.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.611 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.9 mt -137.45 154.42 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.712 1.205 . . . . 4.02 108.299 174.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -154.01 144.46 22.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.821 1.248 . . . . 7.64 108.749 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.573 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -152.57 134.86 15.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.82 -1.548 . . . . 5.08 106.82 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 44.8 mt-10 -135.86 152.93 51.55 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 124.391 1.077 . . . . 28.73 108.54 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 84.67 10.36 Favored Pre-proline 0 C--O 1.239 0.526 0 N-CA-C 106.921 -1.511 . . . . 7.19 106.921 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.79 -40.4 54.46 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.956 2.437 . . . . 13.41 112.922 -168.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 8.4 m-80 -117.03 40.21 3.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.759 0.823 . . . . 11.97 109.401 -177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.85 3.2 Favored Pre-proline 0 CA--C 1.568 1.653 0 N-CA-C 114.824 1.416 . . . . 12.01 114.824 -167.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.98 -13.29 17.47 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 121.981 1.787 . . . . 20.55 112.677 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 3.7 t-160 -74.84 -52.03 12.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.355 1.462 . . . . 22.26 109.088 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.527 HG11 ' HA ' ' D' ' 73' ' ' ALA . 5.4 p -84.25 -10.1 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 114.907 -1.042 . . . . 34.6 112.087 -168.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -61.84 -22.57 65.61 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 122.786 0.434 . . . . 32.96 111.722 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -71.69 1.95 6.02 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.965 0.906 . . . . 99.99 111.839 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -111.45 101.3 9.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.49 1.116 . . . . 31.63 109.263 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -94.93 80.15 3.66 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.726 0.81 . . . . 99.99 111.028 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -158.04 -179.15 7.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.524 0.729 . . . . 49.29 109.451 169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 56.5 tp60 -81.76 123.21 80.59 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' ' 37' ' ' GLN . 12.5 Cg_exo -68.13 149.79 76.76 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.578 2.185 . . . . 31.29 112.196 -173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.28 110.43 3.52 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 107.149 -1.426 . . . . 99.99 107.149 167.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 64' ' ' VAL . 74.5 t -108.13 112.2 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 108.619 -0.882 . . . . 52.79 108.619 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' D' ' 43' ' ' ASP . 37.2 ttpt -87.49 131.48 34.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 168.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.658 ' HB2' HG13 ' E' ' 121' ' ' VAL . 10.0 mp -94.16 114.07 26.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.424 -1.695 . . . . 74.77 106.424 169.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.403 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 21.3 t70 -106.65 120.93 43.28 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.926 -1.509 . . . . 99.99 106.926 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD22 ' E' ' 111' ' ' LEU . 2.6 mp -118.61 135.64 54.33 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.825 -0.547 . . . . 66.01 111.191 -166.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.97 151.21 51.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.201 1.4 . . . . 79.72 108.589 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.483 ' HB ' ' OG1' ' E' ' 107' ' ' THR . 89.3 m -144.19 143.08 30.9 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 109.527 -0.546 . . . . 77.52 109.527 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.91 160.13 43.84 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.691 1.196 . . . . 38.8 108.871 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.2 m -151.42 155.32 38.37 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.818 0.447 . . . . 48.36 110.401 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 39.7 p -151.1 121.96 7.58 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.983 0.913 . . . . 52.73 109.271 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' E' ' 100' ' ' LEU . 42.8 tt0 -82.37 116.57 21.91 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.813 -0.81 . . . . 99.71 108.813 176.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -127.59 17.27 6.95 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.979 0.912 . . . . 82.32 109.451 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.93 155.45 37.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.209 -0.905 . . . . 96.95 110.584 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.44 119.6 32.72 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.379 -0.971 . . . . 99.99 108.379 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 68.75 4.81 4.59 Favored 'General case' 0 N--CA 1.506 2.344 0 C-N-CA 124.858 1.263 . . . . 99.99 112.458 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.72 142.12 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 108.133 -1.062 . . . . 82.8 108.133 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.52 150.98 50.62 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.131 0.491 . . . . 99.99 110.892 -174.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.43 111.82 23.58 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.476 -1.305 . . . . 55.89 107.476 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.93 126.41 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.295 0.569 . . . . 44.56 109.664 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.18 106.03 19.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 124.261 1.024 . . . . 19.48 109.422 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.0 tp -91.19 103.67 16.32 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.192 -0.67 . . . . 52.2 109.192 172.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' D' ' 79' ' ' GLN . 51.1 ttt180 -89.49 94.17 9.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -90.6 130.78 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.269 -1.011 . . . . 9.25 108.269 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.5 m -126.74 151.23 48.47 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.381 -0.6 . . . . 10.79 109.381 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.625 HG13 HG13 ' D' ' 40' ' ' VAL . 9.8 t -134.39 134.82 54.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.612 1.565 . . . . 9.72 108.49 -174.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 11.6 m -126.31 95.95 4.54 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.954 -1.128 . . . . 19.36 107.954 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.64 143.49 28.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.009 0.524 . . . . 11.33 110.399 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 65.5 p -152.42 128.76 10.57 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.048 -0.524 . . . . 29.87 111.008 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.35 105.26 17.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.004 -1.11 . . . . 24.97 108.004 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.0 -131.44 36.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 123.845 0.716 . . . . 27.84 113.075 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.21 13.37 9.69 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.644 0.777 . . . . 76.3 112.21 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -132.01 143.41 50.05 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.353 0.661 . . . . 81.89 110.183 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.1 m -68.25 127.77 34.12 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.312 0.382 . . . . 11.35 110.302 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.56 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.45 -68.82 0.66 Allowed 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.963 -1.125 . . . . 10.67 107.963 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.35 154.62 37.04 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 115.238 -0.892 . . . . 7.73 110.267 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 64.6 mt -107.63 154.41 21.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.89 -1.152 . . . . 11.05 107.89 168.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.481 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.1 t -156.63 146.36 20.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 109.848 -0.427 . . . . 12.97 109.848 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -155.69 134.85 12.19 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.149 0.58 . . . . 47.96 109.828 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.68 117.08 17.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.933 0.893 . . . . 5.05 108.779 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.555 ' HG2' ' HG3' ' D' ' 61' ' ' ARG . 60.9 mt-30 -88.91 82.38 6.73 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.468 -0.938 . . . . 21.68 108.468 172.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -79.84 109.87 14.66 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.334 -1.303 . . . . 8.01 108.926 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.08 177.75 20.43 Favored Glycine 0 C--O 1.242 0.655 0 O-C-N 123.34 0.4 . . . . 11.29 112.316 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.23 149.7 12.05 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 121.048 0.249 . . . . 22.6 113.282 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.16 107.17 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.332 . . . . 43.57 108.266 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -115.11 127.22 55.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.825 0.85 . . . . 45.01 109.602 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -88.98 126.77 35.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.934 0.494 . . . . 77.58 109.94 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.0 134.51 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.376 1.07 . . . . 88.57 108.833 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' E' ' 97' ' ' ILE . . . -160.34 126.9 4.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.852 0.461 . . . . 99.99 110.103 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.83 24.84 5.38 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 123.274 0.359 . . . . 99.99 113.73 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 pt -129.36 148.97 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 123.437 0.695 . . . . 99.99 110.905 -176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -140.74 164.85 29.1 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.27 1.028 . . . . 99.99 111.325 -172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.81 -142.19 25.26 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 115.263 -0.881 . . . . 99.99 114.58 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 22.2 m -92.39 -31.32 15.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.498 0.719 . . . . 99.99 111.382 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.71 -21.16 61.09 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.311 0.644 . . . . 99.99 112.441 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' D' ' 95' ' ' ALA . 23.1 ptm -57.91 -61.05 2.82 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.097 0.777 . . . . 99.99 113.097 -169.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.444 ' H ' ' HG3' ' D' ' 94' ' ' MET . . . -84.11 -9.27 58.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.292 0.637 . . . . 88.9 110.781 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . 0.56 ' ND1' HD22 ' D' ' 141' ' ' LEU . 21.4 t-80 -67.13 -27.13 67.06 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.434 -0.348 . . . . 99.99 110.635 167.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.53 -48.23 81.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 120.919 0.39 . . . . 95.17 110.691 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.703 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.5 pp -73.43 -19.34 60.99 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.602 -0.272 . . . . 99.99 110.96 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.6 14.41 57.78 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-O 119.469 -0.628 . . . . 66.02 113.525 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.95 -59.71 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.677 0.738 . . . . 54.11 111.321 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.442 ' HA ' HD22 ' D' ' 104' ' ' ASN . 19.6 t80 -62.64 -36.64 83.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.697 0.799 . . . . 40.76 110.854 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.6 m -74.12 -45.98 6.38 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 118.623 -0.703 . . . . 34.31 111.902 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' D' ' 60' ' ' LEU . 66.4 Cg_exo -48.87 -37.17 35.78 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.548 2.165 . . . . 28.69 114.315 163.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' D' ' 101' ' ' TYR . 93.4 m-20 -59.2 -34.59 72.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.032 0.533 . . . . 61.29 111.165 175.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.655 HG21 HD13 ' D' ' 13' ' ' ILE . 48.6 mm -71.66 -40.89 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.589 0.756 . . . . 19.65 110.411 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.76 -18.71 59.45 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.242 -0.89 . . . . 13.09 112.14 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -65.73 -46.89 66.98 Favored Pre-proline 0 CA--C 1.562 1.433 0 CA-C-O 118.308 -0.853 . . . . 10.47 112.87 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 82.9 Cg_exo -52.54 -38.78 75.66 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 122.603 2.202 . . . . 6.22 114.211 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -76.91 -32.33 57.32 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.24 0.616 . . . . 10.48 112.032 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.11 -50.47 68.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 108.828 -0.804 . . . . 4.16 108.828 171.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' D' ' 127' ' ' ASN . 42.2 ttp180 -54.81 -49.35 71.22 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.834 -1.53 . . . . 10.22 111.87 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.96 -49.57 77.36 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.24 0.963 . . . . 32.24 110.426 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.82 -43.73 85.96 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 123.911 0.757 . . . . 3.39 111.14 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.548 HD12 HD11 ' D' ' 128' ' ' LEU . 97.0 mt -61.2 -50.27 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.078 0.951 . . . . 5.37 110.33 176.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.4 m -55.44 -45.71 76.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.254 1.022 . . . . 7.06 111.911 -173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 51.7 p -65.74 -42.68 90.69 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.822 -0.626 . . . . 6.71 110.149 -177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.04 -33.35 75.82 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.393 0.677 . . . . 5.08 111.541 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.52 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.6 t -59.62 -51.05 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.922 0.889 . . . . 5.65 110.185 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 83.3 p -72.65 -23.7 60.94 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.932 -0.576 . . . . 10.21 111.541 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' D' ' 116' ' ' SER . 82.8 mtt-85 -71.18 -27.7 63.71 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.442 0.697 . . . . 6.99 109.899 174.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' C' ' 17' ' ' TYR . . . -91.9 11.15 72.88 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.202 -0.777 . . . . 7.43 113.032 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 17.7 m 67.51 15.89 9.87 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.612 1.165 . . . . 18.26 111.665 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -88.86 148.21 40.82 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 121.684 -0.635 . . . . 10.7 111.15 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.565 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 9.3 Cg_endo -51.55 138.37 48.44 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.974 3.116 . . . . 20.06 113.069 173.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.05 133.77 43.7 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.953 0.901 . . . . 16.85 112.353 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.494 HD13 HG21 ' D' ' 40' ' ' VAL . 14.8 tp -111.56 113.95 26.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.887 0.875 . . . . 14.84 110.061 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.459 ' OD1' ' HD2' ' D' ' 111' ' ' ARG . 40.3 t30 -110.22 108.06 18.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.522 -0.918 . . . . 76.73 108.522 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.548 HD11 HD12 ' D' ' 114' ' ' ILE . 52.8 mt -68.91 120.89 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.715 -0.476 . . . . 20.32 109.715 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -64.81 134.94 96.19 Favored Pre-proline 0 CA--C 1.56 1.346 0 C-N-CA 122.916 0.486 . . . . 28.37 110.401 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.543 ' HB3' HD13 ' E' ' 71' ' ' ILE . 52.3 Cg_exo -57.22 140.74 93.73 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 123.326 2.684 . . . . 32.68 114.286 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.66 132.53 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.942 0.897 . . . . 69.78 109.659 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -89.12 108.36 19.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.03 -0.73 . . . . 99.99 109.03 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -62.24 -32.9 73.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.164 0.985 . . . . 99.99 111.882 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.13 -43.01 87.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.002 0.921 . . . . 99.99 111.197 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.84 88.72 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.235 0.959 . . . . 99.99 112.218 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.61 -27.46 64.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.705 0.802 . . . . 99.99 111.304 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.621 ' HE1' ' HG ' ' E' ' 111' ' ' LEU . 5.7 m-85 -93.63 -27.4 16.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.347 0.659 . . . . 99.99 110.643 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 40.3 ttm -54.27 -40.21 67.61 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.333 1.453 . . . . 99.99 112.907 -170.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.427 ' HA ' HE21 ' D' ' 142' ' ' GLN . 38.1 m-80 -61.4 -30.81 70.79 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.826 0.85 . . . . 99.99 111.496 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -85.9 -39.06 17.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.192 0.997 . . . . 99.99 111.371 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.56 HD22 ' ND1' ' D' ' 96' ' ' HIS . 27.2 tp -61.03 -36.52 79.77 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.559 0.744 . . . . 99.99 111.549 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' D' ' 139' ' ' ASN . 29.4 pt20 -75.83 0.31 18.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.359 -0.837 . . . . 99.99 112.276 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.82 88.16 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.765 0.826 . . . . 99.99 109.612 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -151.37 -61.62 0.18 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.623 -0.88 . . . . 99.99 108.623 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.05 106.04 1.51 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.54 0.736 . . . . 99.99 110.689 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.75 -65.85 4.03 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.122 -0.791 . . . . 99.99 111.122 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 89.37 0.09 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.525 1.53 . . . . 99.99 110.248 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.19 48.06 Favored Glycine 0 C--N 1.341 0.851 0 CA-C-N 115.559 -0.746 . . . . 99.99 113.101 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.2 m -146.83 -61.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.028 -1.101 . . . . 99.99 108.028 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.92 20.36 11.34 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.445 1.098 . . . . 99.99 112.77 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' D' ' 152' ' ' HIS . 11.4 pt-20 46.61 -69.72 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.506 2.322 . . . . 99.99 116.052 172.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . 0.426 ' H ' ' HG3' ' D' ' 151' ' ' GLU . 30.1 m80 68.38 -177.86 0.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 124.802 1.241 . . . . 99.99 112.097 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.25 79.06 9.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.33 0.652 . . . . 99.99 109.596 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 20.2 t70 62.59 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.566 1.546 . . . . 99.99 111.017 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.08 0.952 . . . . 99.99 108.468 -179.374 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.951 -0.389 . . . . 99.99 109.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -162.15 150.61 14.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.218 0.607 . . . . 99.99 110.472 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -83.18 89.03 6.91 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.602 0.761 . . . . 99.99 109.386 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 66.6 m -141.84 147.7 37.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.146 -0.934 . . . . 99.99 110.744 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 30.1 m -67.59 148.57 51.24 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.135 0.974 . . . . 99.99 110.801 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.664 HG21 HG13 ' B' ' 64' ' ' VAL . 1.2 pp -58.46 108.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 113.893 1.071 . . . . 99.99 113.893 -176.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' B' ' 128' ' ' LEU . . . -170.01 -90.11 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.253 -0.885 . . . . 99.99 108.696 176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' E' ' 8' ' ' LEU . 0.2 OUTLIER -176.86 35.9 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.136 -1.061 . . . . 99.99 108.136 176.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 84.1 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.733 0.813 . . . . 99.99 112.586 -167.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp 56.52 91.68 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.233 1.413 . . . . 99.99 111.854 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' E' ' 65' ' ' LYS . 2.6 pt? -56.24 154.8 14.52 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.338 -0.846 . . . . 99.99 111.478 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -46.8 154.21 1.12 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.997 3.132 . . . . 99.99 114.476 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.65 133.38 49.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.704 0.801 . . . . 99.99 110.338 -174.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 64.52 -178.3 0.17 Allowed 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.276 0.985 . . . . 99.99 112.645 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HE3' ' B' ' 94' ' ' MET . 1.4 t80 -172.03 101.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 103.028 -2.953 . . . . 99.99 103.028 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 19.9 m -77.08 -63.35 0.52 Allowed Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.215 -0.898 . . . . 99.99 112.624 -164.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 71.5 Cg_endo -99.78 132.9 0.2 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 122.475 2.117 . . . . 99.99 113.728 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' B' ' 94' ' ' MET . 41.2 t -62.24 -37.11 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 CA-C-O 121.657 0.742 . . . . 99.99 110.251 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' E' ' 17' ' ' PRO . 9.0 t -100.25 154.78 18.19 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.523 -1.217 . . . . 99.99 108.723 171.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.464 ' HB3' ' HG2' ' E' ' 22' ' ' ARG . 0.4 OUTLIER 74.39 -61.06 0.5 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.005 1.322 . . . . 99.99 112.122 -178.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.52 15.37 7.82 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 124.784 1.234 . . . . 99.99 113.417 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' E' ' 20' ' ' LYS . 39.7 ptt180 -112.79 -178.17 3.32 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.707 0.803 . . . . 99.99 109.897 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.21 149.84 82.43 Favored Pre-proline 0 CA--C 1.558 1.281 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.03 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -51.38 126.87 20.49 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 123.366 2.711 . . . . 99.99 113.531 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.43 -85.95 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.371 1.468 . . . . 99.99 112.051 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 56.9 mtt -120.2 136.82 25.36 Favored Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 122.943 0.497 . . . . 99.99 109.97 -171.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -76.49 81.49 2.49 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.276 1.984 . . . . 99.99 110.012 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -55.5 108.87 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 114.748 -1.114 . . . . 99.99 111.54 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . 0.423 HD21 ' HE ' ' E' ' 32' ' ' ARG . 31.0 tp 76.57 -26.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.786 1.634 . . . . 99.99 112.955 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 58.76 -96.99 0.07 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.607 1.163 . . . . 99.99 110.34 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -153.3 125.89 8.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.877 0.871 . . . . 99.99 109.078 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . 0.423 ' HE ' HD21 ' E' ' 29' ' ' LEU . 27.2 ptt180 -122.3 86.52 2.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.721 0.772 . . . . 99.99 109.955 172.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.38 42.72 0.83 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.172 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.62 82.88 2.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.129 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -161.71 151.94 17.2 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.354 0.662 . . . . 99.99 109.807 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.78 15.35 52.76 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.354 0.409 . . . . 99.99 113.422 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' E' ' 38' ' ' ILE . 10.4 t70 -78.52 88.53 4.47 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.226 1.01 . . . . 99.99 110.563 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' E' ' 419' ' ' VAL . 16.2 tt 169.84 163.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.771 1.628 . . . . 99.99 108.81 170.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m 85.24 -36.27 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.351 1.46 . . . . 99.99 111.91 172.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.526 ' H ' ' HD2' ' E' ' 41' ' ' PRO . . . -142.02 -48.05 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 123.397 0.679 . . . . 99.99 110.088 173.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' E' ' 40' ' ' ALA . 66.0 Cg_endo -74.49 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.797 0 C-N-CA 121.39 1.393 . . . . 99.99 111.963 164.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.87 -64.17 1.03 Allowed Glycine 0 C--N 1.341 0.846 0 N-CA-C 111.226 -0.75 . . . . 99.99 111.226 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.13 -162.21 40.09 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.993 0.467 . . . . 99.99 111.966 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 76.5 -44.38 0.48 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.985 1.476 . . . . 99.99 114.985 164.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' E' ' 45' ' ' ARG . 3.9 ppt_? 37.47 89.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.845 1.658 . . . . 99.99 112.575 -165.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -75.81 -1.27 24.35 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 115.243 -0.889 . . . . 99.99 112.168 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.42 168.46 27.02 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.745 1.218 . . . . 99.99 109.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 62.9 m -65.43 -28.16 69.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.375 0.67 . . . . 99.99 111.138 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 116.48 -108.96 1.87 Allowed Glycine 0 C--N 1.34 0.769 0 N-CA-C 109.278 -1.529 . . . . 99.99 109.278 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.58 -72.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.427 1.491 . . . . 99.99 113.09 169.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.03 -26.8 62.9 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.932 1.293 . . . . 99.99 111.753 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.957 0.503 . . . . 99.99 111.519 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.11 -42.16 17.72 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.277 0.631 . . . . 99.99 110.077 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.3 16.72 8.73 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.643 1.177 . . . . 99.99 112.877 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.09 -65.22 0.16 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 125.217 1.407 . . . . 99.99 110.982 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -123.14 -60.25 1.51 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 107.213 -1.403 . . . . 99.99 107.213 168.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -175.2 -28.46 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 114.053 -1.43 . . . . 99.99 109.806 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -73.28 6.83 2.58 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.85 1.26 . . . . 99.99 114.329 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.88 62.47 5.69 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.691 -0.485 . . . . 99.99 109.691 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -178.38 -62.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.929 0.892 . . . . 99.99 108.659 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -135.47 -178.53 5.16 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.701 0.8 . . . . 99.99 109.832 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -100.07 98.17 7.17 Favored Pre-proline 0 N--CA 1.478 0.939 0 C-N-CA 123.896 0.878 . . . . 99.99 109.114 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.17 -58.07 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.943 2.429 . . . . 99.99 114.099 -168.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' B' ' 96' ' ' HIS . . . 59.0 92.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.697 1.199 . . . . 99.99 111.781 -173.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' E' ' 11' ' ' LEU . 0.5 OUTLIER -136.51 108.29 7.06 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 109.496 -0.557 . . . . 99.99 109.496 176.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.5 150.66 19.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.883 0.873 . . . . 99.99 109.49 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 13.7 tt -103.71 104.31 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.87 -28.51 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.197 0.999 . . . . 99.99 111.368 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.91 -47.37 80.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.181 0.992 . . . . 99.99 109.945 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt 61.75 90.48 0.07 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.819 1.325 . . . . 99.99 111.131 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' D' ' 130' ' ' PRO . 5.9 tp -75.64 -35.72 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.98 -56.49 0.16 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 109.65 -1.38 . . . . 99.99 109.65 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . 0.575 ' HB3' ' HB2' ' B' ' 135' ' ' ALA . 25.4 m-20 56.6 94.58 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.39 1.476 . . . . 99.99 113.338 163.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.52 103.27 0.65 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.882 -0.599 . . . . 99.99 112.444 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . 0.414 ' HG2' ' HB1' ' B' ' 135' ' ' ALA . 64.6 mtt -68.61 96.03 0.69 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.272 0.629 . . . . 99.99 110.213 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.3 163.69 54.86 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.219 -0.9 . . . . 99.99 112.46 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.97 155.48 39.37 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.759 0.824 . . . . 99.99 110.701 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -61.44 -31.05 70.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.871 0.868 . . . . 99.99 112.09 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.485 ' HA ' ' NH2' ' E' ' 84' ' ' ARG . 41.3 mm-40 -78.32 -20.66 50.98 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.018 0.527 . . . . 99.99 111.503 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 8.6 mt 64.23 23.18 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.47 0 C-N-CA 125.034 1.333 . . . . 99.99 109.624 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 36.2 p 54.0 165.73 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 126.915 2.086 . . . . 99.99 113.997 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' E' ' 85' ' ' ASN . . . 64.06 -76.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.692 1.597 . . . . 99.99 113.092 173.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.28 -70.77 0.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.766 0.827 . . . . 99.99 109.295 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' E' ' 84' ' ' ARG . 0.1 OUTLIER -143.33 19.36 1.9 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.64 0.734 . . . . 99.99 109.548 173.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' E' ' 82' ' ' ALA . 4.5 p30 -166.56 154.25 9.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.844 0.857 . . . . 99.99 110.179 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.96 166.56 15.49 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.031 0.932 . . . . 99.99 111.889 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.0 -177.44 5.54 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.622 0.769 . . . . 99.99 110.142 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.25 -56.86 10.35 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.507 0.723 . . . . 99.99 109.84 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' E' ' 309' ' ' THR . . . 74.36 -154.23 47.33 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 114.958 -1.019 . . . . 99.99 113.669 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.53 146.76 25.5 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.635 1.174 . . . . 99.99 108.075 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.96 90.68 0.01 OUTLIER Glycine 0 C--N 1.346 1.121 0 O-C-N 124.244 0.965 . . . . 99.99 114.357 -171.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' E' ' 308' ' ' CYS . . . -137.29 138.55 9.81 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 110.817 -0.913 . . . . 99.99 110.817 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -125.16 170.41 11.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.183 0.993 . . . . 99.99 109.804 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -115.05 142.37 46.73 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.188 0.595 . . . . 99.99 110.029 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' E' ' 95' ' ' LYS . 9.8 mptt -109.09 133.56 52.84 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.889 0.876 . . . . 99.99 109.958 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.31 27.98 0.07 OUTLIER Glycine 0 C--N 1.347 1.187 0 O-C-N 123.347 0.404 . . . . 99.99 112.961 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' D' ' 87' ' ' ALA . 59.8 mt -137.46 139.74 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.411 1.085 . . . . 99.99 109.202 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.38 -60.01 2.53 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.362 0.665 . . . . 99.99 109.607 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.32 133.2 34.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.059 . . . . 99.99 109.068 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.454 ' HG ' HG21 ' E' ' 97' ' ' ILE . 2.7 mp -97.45 89.43 0.71 Allowed Pre-proline 0 CA--C 1.558 1.266 0 N-CA-C 107.471 -1.307 . . . . 99.99 107.471 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -69.69 -20.62 34.92 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.267 2.644 . . . . 99.99 113.666 -164.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.719 ' HG ' ' H ' ' E' ' 104' ' ' GLY . 25.4 tp 71.4 140.9 0.05 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.644 1.577 . . . . 99.99 111.965 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 10.9 t -78.46 -13.15 59.97 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.063 0.945 . . . . 99.99 111.326 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . 0.719 ' H ' ' HG ' ' E' ' 102' ' ' LEU . . . 158.78 132.63 1.41 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.932 -0.867 . . . . 99.99 110.932 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -55.51 -44.96 77.09 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.681 0.753 . . . . 99.99 110.153 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -118.42 163.21 17.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.111 -1.404 . . . . 99.99 107.226 158.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . 0.483 ' OG1' ' HB ' ' D' ' 46' ' ' THR . 61.1 m -66.67 87.69 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.247 0.546 . . . . 99.99 109.942 175.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -71.08 -20.21 62.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.958 -1.019 . . . . 99.99 110.472 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.229 -0.896 . . . . 99.99 111.001 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . 0.458 ' H ' HG22 ' E' ' 107' ' ' THR . . . 69.04 130.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.127 1.371 . . . . 99.99 110.924 -170.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.621 ' HG ' ' HE1' ' D' ' 137' ' ' PHE . 6.6 mp -64.72 116.6 6.43 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.26 0.624 . . . . 99.99 110.936 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 46.3 t30 72.86 139.9 0.06 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.258 1.423 . . . . 99.99 110.937 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -106.92 -44.29 4.45 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . 0.413 ' HB2' ' HD3' ' E' ' 118' ' ' PRO . 61.2 mttm -91.61 111.04 22.39 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.637 -0.711 . . . . 99.99 109.773 -171.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 5.7 t -67.91 105.66 2.06 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.399 0.619 . . . . 99.99 111.409 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.61 58.35 4.58 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 114.993 -1.003 . . . . 99.99 113.633 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . 0.6 ' HB3' ' HD3' ' E' ' 118' ' ' PRO . 60.0 tttm -151.87 -56.66 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.51 0 CA-C-O 118.538 -0.744 . . . . 99.99 111.044 175.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' E' ' 117' ' ' LYS . 30.6 Cg_endo -100.43 26.05 0.15 Allowed 'Trans proline' 0 C--N 1.389 2.688 0 C-N-CA 122.786 2.324 . . . . 99.99 111.19 171.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.49 140.06 31.73 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.014 -0.994 . . . . 99.99 110.42 -171.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -120.84 5.43 10.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.467 0.707 . . . . 99.99 111.527 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.658 HG13 ' HB2' ' D' ' 42' ' ' LEU . 85.2 t -72.35 109.53 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 122.853 0.461 . . . . 99.99 110.324 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 16.8 m 65.24 112.88 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.355 1.462 . . . . 99.99 113.37 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -109.69 155.17 21.87 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.057 -0.72 . . . . 99.99 109.057 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 23.7 t -79.15 68.48 5.13 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.431 0.693 . . . . 99.99 109.814 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -159.01 155.23 27.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.519 1.128 . . . . 99.99 109.411 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' D' ' 127' ' ' ASN . . . 65.89 86.5 0.13 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.325 1.05 . . . . 96.83 111.297 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 51.0 m -134.52 147.25 50.29 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.586 0.754 . . . . 99.99 110.067 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.93 91.72 0.98 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.607 0.763 . . . . 74.48 109.499 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.565 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 9.0 t -107.5 141.21 39.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 99.99 111.379 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.02 169.32 18.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.793 1.237 . . . . 99.99 108.909 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -147.14 165.77 28.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.534 0.334 . . . . 99.99 110.166 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 57.4 m -58.8 156.55 11.0 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.377 1.471 . . . . 99.99 114.14 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 30.9 p -80.87 -28.86 35.86 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.147 0.979 . . . . 99.99 111.847 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.02 149.83 26.27 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 110.589 -1.004 . . . . 89.58 110.589 -168.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' E' ' 468' ' ' LEU . 14.5 p -157.91 165.79 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.232 0.613 . . . . 99.99 110.112 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.65 -167.34 0.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.404 1.082 . . . . 99.99 109.231 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' C' ' 3' ' ' GLU . 25.1 m 70.06 75.8 0.21 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.002 1.321 . . . . 99.99 111.068 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -126.18 133.25 51.6 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.89 1.276 . . . . 99.99 109.371 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -144.31 -168.42 2.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.588 1.155 . . . . 99.99 108.023 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.05 146.02 18.47 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 116.823 -0.172 . . . . 99.99 113.037 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -167.63 12.83 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.852 0.861 . . . . 99.99 110.987 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.55 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.402 1.481 . . . . 99.99 111.062 -169.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.0 141.34 6.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.392 -0.367 . . . . 99.99 112.814 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 6.0 m -122.2 81.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-O 121.939 0.876 . . . . 99.99 109.168 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.3 115.25 21.37 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.624 -0.716 . . . . 99.99 110.171 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.23 109.51 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -139.64 88.23 2.23 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.461 . . . . 99.99 107.054 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.24 164.54 25.34 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.21 0.604 . . . . 99.99 110.605 -174.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -64.32 132.0 48.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.457 -0.792 . . . . 99.99 109.741 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.2 128.06 35.17 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.21 -0.663 . . . . 99.99 109.21 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -63.52 115.95 22.23 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.868 0.73 . . . . 99.99 111.272 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.11 -175.26 1.96 Allowed 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.875 2.384 . . . . 99.99 111.525 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . 0.47 ' HA ' ' OG ' ' E' ' 347' ' ' SER . 27.8 m 62.11 81.33 0.2 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.084 0.953 . . . . 99.99 110.926 -176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.32 -14.83 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.116 -0.947 . . . . 99.99 111.767 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.94 -42.59 94.36 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.571 1.148 . . . . 99.99 110.018 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -85.44 -17.17 37.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.923 0.712 . . . . 99.99 112.923 -172.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 91.9 mtp -58.53 -41.41 85.43 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.814 0.446 . . . . 99.99 111.709 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . 0.732 ' HB1' ' HB2' ' E' ' 161' ' ' ALA . . . -166.91 120.92 1.03 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.053 0.541 . . . . 99.99 110.369 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -86.19 -66.52 0.89 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.562 -0.533 . . . . 99.99 109.562 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -94.28 -41.35 9.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.897 0.879 . . . . 99.99 110.535 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . 0.732 ' HB2' ' HB1' ' E' ' 158' ' ' ALA . . . 64.85 -82.05 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.03 1.332 . . . . 99.99 111.56 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 144.7 53.6 0.03 OUTLIER Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.331 -1.108 . . . . 99.99 110.331 -175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.32 152.67 38.15 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.808 0.843 . . . . 99.99 111.486 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 74.88 174.29 0.26 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.248 1.419 . . . . 99.99 112.746 172.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 49.7 m -61.48 -43.27 99.16 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 115.173 -0.921 . . . . 99.99 111.42 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.82 90.74 0.52 Allowed Glycine 0 C--N 1.34 0.753 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -100.53 125.97 46.93 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.025 0.53 . . . . 99.99 110.149 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . 0.445 HG22 HD13 ' E' ' 398' ' ' ILE . 55.7 t -84.84 -62.76 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.679 0.792 . . . . 99.99 109.495 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 18.0 t 74.03 -47.06 0.64 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.07 1.748 . . . . 99.99 112.721 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 4.7 m 61.77 33.93 17.57 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.281 1.032 . . . . 99.99 110.095 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.55 -17.38 60.09 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.556 -0.747 . . . . 99.99 111.923 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . 0.805 ' HB2' HD11 ' E' ' 329' ' ' ILE . 6.3 mp0 -90.81 158.15 16.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.841 -0.8 . . . . 99.99 108.841 174.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.12 102.82 1.07 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.46 -0.941 . . . . 99.99 108.46 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.549 HE22 ' HA ' ' E' ' 326' ' ' ASP . 29.9 tt0 -69.6 102.81 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.19 0.519 . . . . 99.99 110.272 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.63 167.88 24.44 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.363 -0.835 . . . . 99.99 108.928 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 74.52 -65.63 0.34 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.957 1.303 . . . . 99.99 110.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 29.8 m 65.38 82.71 0.2 Allowed Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.306 1.043 . . . . 99.99 111.192 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.7 121.28 5.02 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 122.985 2.457 . . . . 99.99 111.735 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.75 89.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.103 0.561 . . . . 99.99 110.718 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . 0.44 ' HB1' ' H ' ' E' ' 336' ' ' GLU . . . 59.48 82.24 0.15 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.754 1.222 . . . . 99.99 111.797 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 29.9 tp -103.17 152.6 21.26 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.827 0.851 . . . . 99.99 109.481 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 73.1 t -68.74 104.52 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.248 -1.019 . . . . 99.99 108.248 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -94.25 154.05 17.73 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 123.503 0.721 . . . . 99.99 110.526 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 76.6 -7.0 1.91 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.26 1.424 . . . . 99.99 112.669 173.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.0 t 67.34 -71.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 124.918 1.287 . . . . 99.99 111.345 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m 64.23 -77.17 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.837 1.655 . . . . 99.99 112.376 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.7 m -65.75 -43.61 88.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.835 . . . . 99.99 111.288 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 61.45 102.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.934 1.294 . . . . 99.99 110.568 -172.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 81.49 -40.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.859 1.664 . . . . 99.99 111.216 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 51.9 t 79.91 -45.84 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 125.612 1.565 . . . . 99.99 112.877 171.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -79.85 -21.86 43.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.541 0.737 . . . . 99.99 111.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -163.65 153.1 23.37 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 121.224 -0.512 . . . . 99.99 113.422 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.2 -173.28 0.61 Allowed 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.588 2.858 . . . . 99.99 111.845 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' E' ' 198' ' ' GLU . 15.9 m -67.69 -35.42 78.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.375 0.27 . . . . 99.99 111.113 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 58.11 -78.63 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.329 1.452 . . . . 99.99 113.357 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 24.9 m -64.37 -31.95 73.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.313 0.645 . . . . 99.99 110.643 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.0 t -108.32 31.62 5.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.898 0.879 . . . . 99.99 110.026 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.871 ' HB2' ' HB2' ' E' ' 194' ' ' SER . 34.0 tt0 -148.85 107.89 3.89 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.051 -0.722 . . . . 99.99 109.051 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 59.98 36.05 21.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.193 0.997 . . . . 99.99 110.6 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 37.7 t -57.84 -39.95 80.11 Favored Pre-proline 0 CA--C 1.558 1.253 0 CA-C-N 114.352 -1.295 . . . . 99.99 113.074 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.44 73.53 4.53 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 120.895 1.355 . . . . 99.99 111.501 167.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -74.98 -23.61 74.16 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 115.348 -0.842 . . . . 99.99 112.046 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -66.02 148.71 51.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 99.99 110.443 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.6 71.68 2.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 99.99 110.148 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 17.3 tp 60.1 29.38 18.96 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.948 1.299 . . . . 99.99 111.387 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 61.19 23.8 13.97 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.574 1.149 . . . . 99.99 111.256 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -83.71 123.11 29.51 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.519 -0.548 . . . . 99.99 109.519 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -84.58 44.89 3.41 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 122.952 0.311 . . . . 99.99 113.303 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -98.44 -145.66 19.17 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.351 -0.7 . . . . 99.99 111.351 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -64.95 -55.37 19.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.951 0.501 . . . . 99.99 110.341 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 57.87 48.24 83.55 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 123.92 0.762 . . . . 99.99 114.06 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 77.7 p -123.0 151.15 42.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.369 0.668 . . . . 99.99 110.005 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' E' ' 216' ' ' GLN . 40.1 pt -69.28 -33.43 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.359 0.412 . . . . 99.99 111.258 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 28.7 m 59.51 -82.7 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.221 1.408 . . . . 99.99 112.898 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.57 0.748 . . . . 99.99 111.6 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . 0.611 ' HB3' HD12 ' E' ' 213' ' ' ILE . 1.0 OUTLIER -66.77 -54.67 20.32 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 45.8 tp 75.78 -36.56 0.29 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.269 1.428 . . . . 99.99 113.183 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 59.1 tp 60.98 86.72 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.943 1.297 . . . . 99.99 110.989 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -100.03 -72.51 0.66 Allowed 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.677 -0.692 . . . . 99.99 109.621 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.59 -76.78 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.887 1.275 . . . . 99.99 110.114 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -160.04 -62.19 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 168.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -174.87 -78.7 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.556 -1.202 . . . . 99.99 109.23 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -174.13 26.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.734 1.213 . . . . 99.99 108.185 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 32.4 m -79.25 -172.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 114.635 -1.166 . . . . 99.99 113.034 -162.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 6.2 m -70.55 93.2 0.89 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.235 1.014 . . . . 99.99 110.702 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 8.4 tt -157.76 -55.3 0.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.054 -0.721 . . . . 99.99 109.054 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -95.93 29.06 10.49 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.681 -0.691 . . . . 99.99 113.241 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 83.3 156.49 22.01 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.844 0.322 . . . . 99.99 113.135 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 85.93 -50.31 4.27 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 119.849 -0.417 . . . . 99.99 113.155 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 75.21 -50.02 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.847 1.659 . . . . 99.99 111.921 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.69 20.18 11.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.694 1.198 . . . . 99.99 110.958 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.7 t -171.11 92.7 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.762 1.225 . . . . 99.99 108.641 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . 0.425 ' HD2' ' HA ' ' E' ' 354' ' ' ALA . 84.4 t80 62.38 108.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.237 1.015 . . . . 99.99 111.243 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -170.98 -179.42 2.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.297 0.639 . . . . 99.99 110.973 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 58.31 42.94 20.82 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.837 1.336 . . . . 99.99 112.031 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 66.8 m -81.27 -38.6 26.59 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.79 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -78.96 -29.33 43.87 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.743 -0.662 . . . . 99.99 110.879 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 29.9 m -106.29 96.53 6.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.746 . . . . 99.99 109.183 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 69.92 178.08 0.26 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.631 1.172 . . . . 99.99 111.932 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 90.47 -16.22 58.26 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 115.806 -0.634 . . . . 99.99 112.302 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . 0.477 ' HG3' ' H ' ' E' ' 242' ' ' TRP . 8.6 tp10 -89.26 -176.33 5.06 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.046 0.938 . . . . 99.99 109.448 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . 0.477 ' H ' ' HG3' ' E' ' 241' ' ' GLU . 32.9 t90 84.31 -49.53 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 126.269 1.828 . . . . 99.99 108.654 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.555 ' HB3' ' HB3' ' E' ' 381' ' ' GLU . 75.7 mt-30 71.55 165.13 0.29 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.425 1.49 . . . . 99.99 113.415 164.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 140.39 -172.08 23.69 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.932 -1.031 . . . . 99.99 111.108 -174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 112.95 8.77 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.449 0.7 . . . . 99.99 110.406 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.554 HG22 ' HB3' ' E' ' 248' ' ' ARG . 21.5 m 55.78 107.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.989 1.316 . . . . 99.99 113.518 163.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.11 -23.58 65.61 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.469 0.708 . . . . 99.99 111.506 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.554 ' HB3' HG22 ' E' ' 246' ' ' THR . 3.9 tpp180 -62.03 -14.57 37.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.902 1.281 . . . . 99.99 112.508 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' E' ' 252' ' ' GLN . 19.0 pt-20 -47.92 -27.38 2.13 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 124.8 1.24 . . . . 99.99 113.721 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.41 -52.91 59.57 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.407 1.083 . . . . 99.99 111.126 175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' E' ' 248' ' ' ARG . . . -84.82 -13.99 49.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.323 1.049 . . . . 99.99 112.042 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . 0.516 ' HB3' ' HA ' ' E' ' 249' ' ' GLU . 27.3 tt0 -73.51 -13.79 61.11 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.28 1.032 . . . . 99.99 111.195 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -45.55 -59.62 2.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.36 1.064 . . . . 99.99 111.704 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 58.76 -172.19 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.56 1.144 . . . . 99.99 112.858 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -129.73 98.52 0.43 Allowed Glycine 0 C--N 1.34 0.782 0 N-CA-C 109.692 -1.363 . . . . 99.99 109.692 172.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -83.08 -82.73 0.14 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.436 -0.579 . . . . 99.99 109.436 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 52.81 23.78 2.94 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.707 1.203 . . . . 99.99 112.665 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.16 67.32 9.69 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.991 0.901 . . . . 99.99 108.575 -173.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -49.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 125.688 1.595 . . . . 99.99 106.866 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 15.5 p -88.16 -45.53 10.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.113 0.965 . . . . 99.99 109.413 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.69 91.98 4.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.277 0.631 . . . . 99.99 109.446 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -89.94 1.4 56.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.477 1.111 . . . . 99.99 112.632 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.28 42.74 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.129 0.971 . . . . 99.99 112.804 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 23.5 m 65.2 3.22 2.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.735 1.214 . . . . 99.99 114.002 173.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . 0.403 ' HB3' ' OG ' ' E' ' 267' ' ' SER . 0.5 OUTLIER 65.46 0.51 1.41 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 125.09 1.356 . . . . 99.99 111.739 -178.007 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 53.57 32.83 15.04 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.468 1.107 . . . . 99.99 112.504 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' E' ' 265' ' ' LEU . 13.6 m -75.88 71.45 2.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.959 0.904 . . . . 99.99 111.554 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.01 -21.03 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.21 0.604 . . . . 99.99 110.93 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 30.4 m -125.01 108.88 12.3 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 72.68 176.27 0.27 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.157 1.383 . . . . 99.99 111.529 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.0 27.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.529 0.732 . . . . 99.99 112.803 -170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -88.58 -55.74 3.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.86 0.464 . . . . 99.99 111.653 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.28 -165.87 1.21 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.942 0.719 . . . . 99.99 112.942 -165.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -127.38 -40.2 1.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.6 1.16 . . . . 99.99 109.213 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -112.77 127.16 27.19 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.16 0.984 . . . . 99.99 109.437 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.533 ' HB2' HD12 ' C' ' 89' ' ' ILE . 8.2 Cg_endo -89.15 -82.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.123 2.548 . . . . 99.99 112.143 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' C' ' 94' ' ' MET . 1.5 tt 51.06 -85.42 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.636 1.575 . . . . 99.99 111.24 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 74.4 mt -145.55 -167.03 2.59 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.408 1.083 . . . . 99.99 109.329 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 74.87 -100.46 1.22 Allowed Glycine 0 C--N 1.345 1.033 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.307 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.699 HD13 ' H ' ' E' ' 282' ' ' ALA . 2.5 tm? 62.67 -83.75 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.345 1.058 . . . . 99.99 109.103 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.602 ' HD2' ' HB2' ' C' ' 137' ' ' PHE . 14.7 m-85 53.95 14.41 0.68 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.542 1.137 . . . . 99.99 113.979 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . 0.699 ' H ' HD13 ' E' ' 280' ' ' LEU . . . -93.47 -173.8 3.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.807 1.243 . . . . 99.99 110.292 176.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.38 75.82 0.38 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.615 1.166 . . . . 99.99 110.606 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -140.88 -114.45 1.11 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-O 119.357 -0.691 . . . . 99.99 111.945 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 10.2 t30 63.31 97.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.379 1.072 . . . . 99.99 111.713 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.67 153.9 23.85 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.149 0.58 . . . . 99.99 109.93 176.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.47 133.5 22.59 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.541 2.16 . . . . 99.99 110.549 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.7 -44.76 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 C-N-CA 123.336 0.655 . . . . 99.99 110.464 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? 56.99 73.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.445 1.098 . . . . 99.99 110.21 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -96.95 174.19 6.9 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.047 -1.433 . . . . 99.99 110.41 -175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' C' ' 129' ' ' ALA . 3.3 mp -76.86 -179.4 5.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.873 0.869 . . . . 99.99 110.866 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -124.87 176.92 17.02 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.6 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.57 -174.32 1.23 Allowed 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.125 2.55 . . . . 99.99 112.594 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? 76.85 -43.16 0.44 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 125.648 1.579 . . . . 99.99 112.697 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.72 -40.64 80.05 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.874 0.87 . . . . 99.99 111.911 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 27.1 m -81.86 131.4 35.25 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.509 -0.769 . . . . 99.99 109.027 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.648 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 32.8 m-85 73.23 24.86 2.34 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.657 1.583 . . . . 99.99 111.9 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.33 -41.63 98.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.415 0.686 . . . . 99.99 110.634 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -169.39 108.03 0.28 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.463 -0.655 . . . . 99.99 111.463 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . 0.516 HD21 ' HD1' ' E' ' 297' ' ' TYR . 2.6 p30 -164.39 -32.11 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.558 0.743 . . . . 99.99 110.576 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.457 ' HA ' HH12 ' D' ' 15' ' ' ARG . 91.3 mt -88.38 126.64 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 123.572 0.749 . . . . 99.99 109.082 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.91 68.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.255 1.422 . . . . 99.99 109.824 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.407 ' HB3' ' HD3' ' E' ' 304' ' ' PRO . 17.8 tppt? -168.23 -60.95 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.838 -174.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' B' ' 127' ' ' ASN . 44.0 Cg_endo -96.25 28.57 0.21 Allowed 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 122.933 2.422 . . . . 99.99 111.956 -170.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -120.16 141.19 50.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.233 1.013 . . . . 99.99 109.729 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 38.4 t -79.36 105.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 N-CA-C 108.168 -1.049 . . . . 99.99 108.168 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.6 p -135.8 167.6 20.85 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.059 0.943 . . . . 99.99 109.556 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' E' ' 92' ' ' GLY . 27.8 p -63.6 126.14 26.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.964 0.505 . . . . 99.99 109.874 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . 0.479 ' HA ' ' HA2' ' E' ' 89' ' ' GLY . 10.2 t -83.71 118.09 70.45 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 123.15 0.58 . . . . 99.99 111.292 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -93.15 -179.0 0.85 Allowed 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.798 2.332 . . . . 99.99 112.049 171.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -109.05 144.66 30.12 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 115.234 -0.894 . . . . 99.99 108.716 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.19 85.2 1.05 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.045 1.83 . . . . 99.99 111.158 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -67.53 -20.42 65.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.484 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -114.72 46.8 1.34 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.708 0.803 . . . . 99.99 108.95 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.19 96.16 0.32 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.491 -0.929 . . . . 99.99 108.491 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -163.39 102.23 0.95 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.351 -0.841 . . . . 99.99 109.661 -169.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . 0.57 ' HB2' ' HG3' ' E' ' 432' ' ' GLN . 69.5 m -143.84 151.97 40.59 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.807 0.843 . . . . 99.99 109.985 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 24.5 m -126.47 147.34 59.91 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.934 0.894 . . . . 99.99 110.181 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.48 128.53 26.29 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.586 2.19 . . . . 99.99 111.094 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 28.8 m -45.98 -45.49 15.73 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.357 1.463 . . . . 99.99 114.36 -168.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 20.3 tp -139.19 21.7 2.59 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.012 0.434 . . . . 99.99 110.411 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 55.97 28.95 13.45 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.82 1.248 . . . . 99.99 114.269 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 63.35 104.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.509 1.124 . . . . 99.99 111.484 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.46 145.43 9.66 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.52 0.728 . . . . 99.99 109.372 173.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 9.8 t -157.34 150.63 23.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.981 0.913 . . . . 99.99 109.678 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.549 ' HA ' HE22 ' E' ' 174' ' ' GLN . 60.4 m-20 -102.0 -114.64 0.2 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.423 0.689 . . . . 99.99 109.169 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm 77.57 -29.7 0.17 Allowed 'General case' 0 C--N 1.372 1.573 0 C-N-CA 125.305 1.442 . . . . 99.99 114.336 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.92 62.82 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.087 0.555 . . . . 99.99 111.671 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.805 HD11 ' HB2' ' E' ' 172' ' ' GLU . 8.0 tp -66.68 -27.23 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.295 1.038 . . . . 99.99 111.527 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.57 -28.13 68.28 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.644 0.778 . . . . 99.99 111.318 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.524 ' HA ' ' HE3' ' E' ' 334' ' ' LYS . 84.5 mt -75.81 -30.67 59.1 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.627 0.771 . . . . 99.99 110.3 175.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 28.5 tp -79.38 145.13 33.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.417 -0.811 . . . . 99.99 109.318 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 32.6 t 66.54 13.34 9.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.392 1.077 . . . . 99.99 110.823 -169.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' E' ' 331' ' ' LEU . 13.7 ttpp -136.21 29.23 3.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.387 0.675 . . . . 99.99 109.705 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.57 111.86 8.11 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.323 -0.621 . . . . 99.99 109.323 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.44 ' H ' ' HB1' ' E' ' 180' ' ' ALA . 42.2 mt-10 64.66 18.23 11.3 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.537 1.135 . . . . 99.99 111.593 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -84.95 135.82 33.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.173 -0.921 . . . . 99.99 109.085 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . 0.515 ' HA3' ' HE1' ' A' ' 1' ' ' MET . . . 111.62 4.95 26.34 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-O 120.064 -0.298 . . . . 99.99 113.311 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.04 156.67 27.39 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.372 0.669 . . . . 99.99 109.565 170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -72.32 78.58 1.0 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.548 0.689 . . . . 99.99 110.624 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 59.2 tp -87.26 -38.94 15.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.926 -1.034 . . . . 99.99 108.852 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -114.58 92.4 3.94 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.896 0.878 . . . . 99.99 108.977 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 4.1 p -146.15 108.89 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 108.696 -0.853 . . . . 99.99 108.696 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.26 161.55 19.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.49 1.116 . . . . 99.99 109.673 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -65.8 -83.28 0.1 OUTLIER Glycine 0 C--N 1.344 0.988 0 O-C-N 124.03 0.831 . . . . 99.99 111.831 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 72.25 -35.64 0.33 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.567 1.547 . . . . 99.99 113.003 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' E' ' 153' ' ' THR . 29.9 t -79.95 85.87 5.52 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.616 0.766 . . . . 99.99 110.397 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.73 126.63 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 N-CA-C 108.103 -1.073 . . . . 99.99 108.103 172.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -110.51 155.71 21.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.696 0.798 . . . . 99.99 110.883 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 55.4 tttm 82.82 116.46 0.05 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.826 1.651 . . . . 99.99 110.862 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 67.01 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.298 1.439 . . . . 99.99 111.331 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' E' ' 355' ' ' ALA . 15.5 t70 -170.79 161.53 7.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.387 0.675 . . . . 99.99 109.32 -169.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -49.12 -37.36 21.59 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.363 1.465 . . . . 99.99 112.883 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . 0.425 ' HA ' ' HD2' ' E' ' 233' ' ' PHE . . . -152.93 -47.8 0.1 Allowed 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.061 0.944 . . . . 99.99 110.253 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' E' ' 352' ' ' ASP . . . 71.12 -74.33 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.626 1.57 . . . . 99.99 111.316 -176.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 102.51 -59.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.698 0 C-N-CA 128.276 2.63 . . . . 99.99 110.562 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.518 ' HD3' ' HG2' ' E' ' 376' ' ' GLU . 98.3 Cg_endo -75.04 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-N 121.924 1.723 . . . . 99.99 111.672 169.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 38.6 t -121.46 24.17 10.01 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.061 -0.972 . . . . 99.99 108.81 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . 0.405 ' O ' HG13 ' E' ' 361' ' ' ILE . . . 138.34 -116.54 1.31 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.561 -1.416 . . . . 99.99 109.561 -170.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 47.44 26.7 0.81 Allowed 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 125.926 1.69 . . . . 99.99 114.04 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.405 HG13 ' O ' ' E' ' 359' ' ' GLY . 85.8 mt -87.96 139.29 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.162 0.985 . . . . 99.99 109.667 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 132.29 170.76 12.62 Favored Glycine 0 N--CA 1.471 0.974 0 N-CA-C 111.557 -0.617 . . . . 99.99 111.557 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -69.39 86.88 0.43 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.186 0.517 . . . . 99.99 109.9 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 36.0 m -154.85 103.94 2.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.151 0.98 . . . . 99.99 108.528 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.15 139.42 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.349 0.66 . . . . 99.99 109.588 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' E' ' 369' ' ' GLU . 15.0 t70 -126.15 149.57 48.88 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.371 -1.344 . . . . 99.99 107.371 170.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.46 -42.23 86.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.771 0.428 . . . . 99.99 111.993 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.04 -41.66 63.94 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.213 0.605 . . . . 99.99 110.646 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 38.2 tt0 -64.8 -34.29 78.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.947 0.899 . . . . 99.99 112.287 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -55.84 -16.0 3.98 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.097 1.147 . . . . 99.99 114.097 -170.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 13.6 p -59.51 -24.49 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 124.24 1.016 . . . . 99.99 112.09 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' E' ' 376' ' ' GLU . 0.0 OUTLIER -59.57 -27.15 66.0 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 112.776 0.658 . . . . 99.99 112.776 -177.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.459 ' HG3' ' OE1' ' E' ' 372' ' ' GLN . 51.5 mtp180 -58.77 -38.57 78.78 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.269 0.627 . . . . 99.99 111.006 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.58 39.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.199 -0.909 . . . . 99.99 110.502 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.38 -20.56 65.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.619 0.768 . . . . 99.99 112.409 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' E' ' 372' ' ' GLN . 52.1 mt-10 -59.27 -45.71 90.49 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.74 0.816 . . . . 99.99 111.277 174.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' E' ' 380' ' ' LYS . 93.7 m-85 -68.18 -46.02 71.85 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.052 0.541 . . . . 99.99 110.276 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.16 -10.84 60.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.722 0.809 . . . . 99.99 112.548 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' E' ' 379' ' ' LYS . 0.3 OUTLIER -61.64 -41.0 96.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.148 0.979 . . . . 99.99 110.975 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 22.6 pttp -69.87 3.21 2.75 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.72 1.007 . . . . 99.99 113.72 -169.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' E' ' 243' ' ' GLN . 40.4 mm-40 -64.62 98.23 0.25 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.951 0.5 . . . . 99.99 109.713 165.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 159.6 104.59 0.2 Allowed Glycine 0 C--N 1.338 0.655 0 CA-C-N 116.436 -0.347 . . . . 99.99 112.675 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -128.03 -39.49 1.75 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.079 0.951 . . . . 99.99 109.042 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 11.3 m 62.82 -80.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.569 1.548 . . . . 99.99 110.717 -175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 81.5 mt 58.53 -81.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.521 1.528 . . . . 99.99 113.197 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 47.3 t -81.22 104.85 10.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.277 0.631 . . . . 99.99 110.783 -171.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.78 101.12 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.232 -1.396 . . . . 99.99 107.232 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.14 111.21 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.402 0.62 . . . . 99.99 110.511 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.2 t -144.95 157.8 44.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.681 0.792 . . . . 99.99 110.33 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.86 108.12 10.87 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.287 -0.634 . . . . 99.99 109.287 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.8 161.18 17.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.877 0.871 . . . . 99.99 111.825 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . 0.466 ' HB2' ' HA2' ' E' ' 338' ' ' GLY . 51.5 p-80 -60.23 -8.36 2.48 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.569 1.547 . . . . 99.99 113.683 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -62.77 -167.17 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.696 1.198 . . . . 99.99 113.072 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . 0.46 ' HA ' ' O ' ' E' ' 397' ' ' GLN . 83.2 t60 -47.74 -24.99 1.08 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.884 1.273 . . . . 99.99 113.494 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -48.0 -41.09 24.47 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.47 1.108 . . . . 99.99 113.072 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 56.6 p -106.68 -4.48 19.46 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.547 0.739 . . . . 99.99 112.942 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' E' ' 394' ' ' HIS . 15.1 pt20 -157.88 125.09 5.07 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.283 0.563 . . . . 99.99 112.252 -173.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . 0.445 HD13 HG22 ' E' ' 168' ' ' VAL . 3.1 mp -108.33 -44.93 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.831 0.853 . . . . 99.99 108.779 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.589 HG13 ' H ' ' E' ' 400' ' ' ALA 0.297 5.7 p 37.47 -94.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 C-N-CA 126.543 1.937 . . . . 99.99 113.073 -171.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.589 ' H ' HG13 ' E' ' 399' ' ' VAL 0.294 . . 92.21 -86.73 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.63 0 C-N-CA 126.425 1.89 . . . . 99.99 114.581 172.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.7 129.43 11.72 Favored 'Trans proline' 0 C--N 1.401 3.336 0 CA-C-N 123.562 2.308 . . . . 99.99 113.295 -165.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.4 -25.9 46.28 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.606 0.762 . . . . 99.99 110.187 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 39.1 p -75.99 -40.16 54.31 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.12 0.968 . . . . 99.99 111.139 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.75 -86.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.141 1.376 . . . . 99.99 110.941 -170.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -150.3 79.54 7.42 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.676 0.79 . . . . 99.99 109.877 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -89.49 148.42 5.2 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 122.641 2.227 . . . . 99.99 112.139 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -74.09 -78.33 0.59 Allowed Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.521 -1.032 . . . . 99.99 110.521 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 86.9 mt 46.82 34.28 2.55 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.331 1.452 . . . . 99.99 113.563 172.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.4 m -74.14 99.69 3.45 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.762 -0.653 . . . . 99.99 109.976 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -84.88 1.05 48.88 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.288 -0.869 . . . . 99.99 111.069 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -61.74 110.24 1.46 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 123.613 0.765 . . . . 99.99 109.85 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.653 HD23 ' H ' ' E' ' 412' ' ' LEU . 1.9 pt? -103.55 34.33 3.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.53 0.732 . . . . 99.99 110.292 -177.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.19 95.94 0.09 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.835 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 9.8 t -67.8 154.13 42.22 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.266 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.499 ' HG2' ' HB3' ' E' ' 41' ' ' PRO . 8.3 mtmp? -122.69 26.11 8.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.964 0.905 . . . . 99.99 108.763 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -125.45 -18.42 5.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.727 0.811 . . . . 99.99 111.151 -169.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.34 -51.0 29.17 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.819 -0.434 . . . . 99.99 114.036 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 52.47 85.08 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.61 1.164 . . . . 99.99 111.707 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . 0.597 ' HB ' HD12 ' E' ' 38' ' ' ILE . 93.3 t -54.7 -48.55 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.132 0.573 . . . . 99.99 110.806 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 57.5 ttp -155.08 -70.33 0.12 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.5 m -95.19 154.85 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.284 0.633 . . . . 99.99 110.618 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 24.2 ttt -89.32 -66.35 0.93 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.378 -0.828 . . . . 99.99 109.97 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 44.8 m -117.52 95.53 5.0 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.403 0.681 . . . . 99.99 110.374 -171.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.74 -37.76 15.24 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -110.71 -149.32 11.9 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.227 -0.897 . . . . 99.99 111.966 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -153.77 155.89 36.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.285 0.634 . . . . 99.99 109.717 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 51.1 p -76.96 100.74 5.7 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 165.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -139.69 0.31 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.739 0.816 . . . . 99.99 110.73 -172.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.35 -38.23 68.63 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.472 0.709 . . . . 99.99 111.96 -168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.52 -38.23 77.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.184 0.516 . . . . 99.99 110.073 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 22.2 m -64.35 -28.25 69.57 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.254 -0.885 . . . . 99.99 111.082 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' E' ' 317' ' ' SER . 20.7 tp60 -86.72 0.53 54.49 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 124.529 1.132 . . . . 99.99 110.569 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 82.39 -58.5 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.457 1.903 . . . . 99.99 111.454 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 69.62 13.72 8.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.373 1.069 . . . . 99.99 111.758 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.413 HG22 ' H ' ' E' ' 436' ' ' GLY . 5.1 m -135.32 177.41 7.83 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.789 0.836 . . . . 99.99 110.267 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . 0.413 ' H ' HG22 ' E' ' 435' ' ' THR . . . -114.67 86.61 0.42 Allowed Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.433 -0.667 . . . . 99.99 111.433 170.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 76.3 p -76.72 -24.79 53.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.109 0.564 . . . . 99.99 111.204 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -71.88 88.89 1.05 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.455 0.702 . . . . 99.99 109.763 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.3 158.49 0.15 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 99.99 111.868 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -105.68 94.08 5.0 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.422 -0.955 . . . . 99.99 108.422 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.13 132.2 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.153 -0.93 . . . . 99.99 109.419 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 69.46 28.16 4.74 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.888 1.275 . . . . 99.99 111.939 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -107.04 171.15 7.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.306 0.642 . . . . 99.99 111.81 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 67.14 177.63 0.24 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.261 1.424 . . . . 99.99 111.41 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 149.73 -174.97 29.08 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 120.018 -0.323 . . . . 99.99 113.277 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.92 135.57 56.31 Favored 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 123.349 2.7 . . . . 99.99 112.092 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.22 -22.73 20.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.177 0.591 . . . . 99.99 110.602 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 61.12 32.79 19.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.579 1.151 . . . . 99.99 111.525 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -120.04 175.42 5.93 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.781 0.832 . . . . 99.99 111.459 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -77.52 172.79 12.8 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.948 0.899 . . . . 99.99 110.421 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.52 HG22 ' H ' ' E' ' 452' ' ' VAL . 9.1 p -108.95 177.47 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.278 0.631 . . . . 99.99 110.401 -177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.52 ' H ' HG22 ' E' ' 451' ' ' VAL . 93.9 t -54.32 99.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 124.701 1.2 . . . . 99.99 111.224 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -137.59 38.5 1.71 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 108.919 -1.672 . . . . 99.99 108.919 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.43 HD21 ' SG ' ' A' ' 97' ' ' CYS . 2.2 pp -79.86 133.21 36.24 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.818 -1.191 . . . . 99.99 111.805 -169.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -136.95 -96.71 0.21 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.0 0.92 . . . . 99.99 109.719 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.56 78.66 0.2 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.389 1.076 . . . . 99.99 111.543 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -80.57 97.81 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.473 0.654 . . . . 99.99 109.358 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.537 ' HB ' HG13 ' A' ' 131' ' ' VAL . 2.2 m -88.4 -81.72 0.25 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 115.192 -0.913 . . . . 99.99 111.167 -170.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -171.09 -177.9 2.31 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.664 0.786 . . . . 99.99 109.113 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 35.1 tp -93.55 137.61 32.65 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.015 0.825 . . . . 99.99 109.486 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.54 115.55 8.34 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.221 0.534 . . . . 99.99 110.351 -175.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -139.87 -154.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 106.792 -1.559 . . . . 99.99 106.792 171.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . 0.548 HG23 ' HA ' ' A' ' 41' ' ' LYS . 48.0 m -68.39 83.47 0.26 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.195 -1.409 . . . . 99.99 107.195 166.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 72.1 mtm -70.85 116.59 11.32 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.926 -1.034 . . . . 99.99 110.751 -169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.41 -27.79 66.33 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.541 -1.209 . . . . 99.99 111.127 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -72.74 86.0 1.22 Allowed 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 167.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -70.38 139.64 51.94 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.114 -0.948 . . . . 99.99 111.684 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' E' ' 135' ' ' VAL . 3.4 pp -70.56 -21.33 62.71 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.678 -0.692 . . . . 99.99 111.241 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 158.97 -164.77 33.9 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.345 -0.843 . . . . 99.99 111.075 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.671 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 84.8 mt 63.64 23.01 13.38 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.589 1.156 . . . . 99.99 112.427 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 65.5 tttp . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.413 -0.958 . . . . 99.99 108.413 -174.632 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.956 -0.386 . . . . 99.99 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -120.51 141.36 50.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.92 0.888 . . . . 99.99 109.595 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -80.87 167.77 19.52 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.797 0.439 . . . . 99.99 111.006 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 64.6 11.36 6.63 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.714 1.206 . . . . 99.99 111.741 -172.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.5 -174.89 4.48 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 106.618 -1.623 . . . . 99.99 106.618 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -117.38 -73.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.132 -1.432 . . . . 99.99 107.132 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 m 56.62 -75.33 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.938 1.695 . . . . 99.99 113.282 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 74.22 140.29 0.06 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.096 1.758 . . . . 99.99 109.961 -173.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.59 ' HG2' ' HB ' ' E' ' 451' ' ' VAL . 0.5 OUTLIER -156.14 152.97 28.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.764 0.826 . . . . 99.99 109.722 -169.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -138.85 141.99 38.63 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.257 0.623 . . . . 99.99 110.618 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' HB2' HG13 ' E' ' 451' ' ' VAL . 72.4 t80 -120.33 133.88 55.37 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.425 1.09 . . . . 99.99 108.819 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 60.7 tp60 -139.32 135.7 34.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.054 0.542 . . . . 99.99 110.161 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -83.55 129.94 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.756 -0.831 . . . . 63.61 108.756 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.477 HE22 HG13 ' A' ' 55' ' ' VAL . 47.3 mt-30 -103.58 -41.41 5.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.164 0.586 . . . . 99.99 110.859 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -169.04 121.62 0.78 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.446 0.298 . . . . 87.02 110.343 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' C' ' 130' ' ' PRO . 82.6 mt -113.08 136.61 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.608 0.763 . . . . 27.8 109.08 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 26.7 p90 -164.58 165.74 20.86 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 37.37 109.988 -176.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' NE2' ' A' ' 80' ' ' GLN . 75.5 p -91.88 126.49 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.483 -0.78 . . . . 12.57 109.554 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -98.4 -30.05 12.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.033 0.533 . . . . 37.56 110.244 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.892 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 23.5 t70 -150.86 138.22 19.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.196 -0.911 . . . . 38.09 109.166 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 85.8 mt -145.66 145.09 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.918 1.287 . . . . 5.43 107.963 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -149.07 150.08 32.16 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.277 0.631 . . . . 6.92 109.941 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 84.8 t80 -151.38 125.0 8.98 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 105.953 -1.869 . . . . 5.61 105.953 173.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.6 124.93 30.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.28 -1.007 . . . . 36.27 108.28 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 73.15 37.45 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 108.67 -0.863 . . . . 12.68 108.67 172.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.66 -19.75 31.46 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.665 2.243 . . . . 32.78 110.983 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.23 29.4 7.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.612 1.165 . . . . 80.05 110.158 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.44 -45.22 90.32 Favored Pre-proline 0 CA--C 1.574 1.873 0 C-N-CA 123.61 0.764 . . . . 31.49 111.587 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.2 Cg_endo -90.77 -26.88 0.29 Allowed 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 122.378 2.052 . . . . 44.68 113.673 171.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -81.1 -13.8 58.38 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.387 0.675 . . . . 99.99 111.582 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.05 -29.87 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.173 0 C-N-CA 124.988 1.315 . . . . 99.99 111.783 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -70.73 -32.15 69.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.059 0.944 . . . . 99.99 112.349 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.58 -36.97 57.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.366 0.666 . . . . 99.99 110.94 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -85.05 172.38 11.32 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.001 0.92 . . . . 99.99 112.577 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 68' ' ' LEU . 3.4 m-20 -63.13 117.14 6.1 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.543 1.137 . . . . 99.99 110.638 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.771 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.0 t-105 -81.5 83.11 7.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.553 0.741 . . . . 99.99 110.988 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -148.55 77.56 9.55 Favored Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 108.119 -1.067 . . . . 99.99 108.119 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.21 141.87 58.7 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.566 2.177 . . . . 57.34 112.665 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.69 111.68 20.15 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.87 -1.159 . . . . 99.99 107.87 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG22 ' HG ' ' E' ' 468' ' ' LEU . 35.3 t -78.68 94.6 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 123.996 0.81 . . . . 48.36 109.154 -175.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.634 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 20.9 ttmm -83.27 114.07 21.13 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 170.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -116.71 107.25 14.44 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 106.327 -1.731 . . . . 97.85 106.327 172.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 15.0 t70 -113.31 148.64 35.27 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 108.798 -0.816 . . . . 85.15 108.798 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -122.12 146.87 46.8 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.217 1.007 . . . . 99.99 109.234 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 27.6 t70 -159.91 130.15 5.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.446 0.699 . . . . 78.84 109.156 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.622 HG21 ' HA2' ' A' ' 99' ' ' GLY . 94.0 m -107.83 139.32 42.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.429 0.692 . . . . 43.33 109.718 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.72 128.59 39.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.749 0.82 . . . . 41.53 108.951 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 p -104.19 154.15 20.1 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 124.053 0.941 . . . . 88.8 110.694 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -160.72 137.64 8.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.355 1.062 . . . . 73.87 109.02 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -115.41 122.91 47.25 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.318 0.647 . . . . 99.99 109.4 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.82 -24.06 15.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.14 0.576 . . . . 99.99 111.147 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.68 -175.28 2.39 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.712 0.805 . . . . 99.99 110.37 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -61.33 118.52 7.03 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.331 0.652 . . . . 99.99 109.275 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 12.6 m-20 69.34 -4.4 1.34 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.721 1.208 . . . . 99.99 113.385 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG13 HE22 ' A' ' 14' ' ' GLN . 93.0 t -96.24 107.49 19.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 107.34 -1.356 . . . . 99.99 107.34 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.59 123.18 49.34 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 114.547 -1.206 . . . . 99.99 108.051 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.01 113.04 24.66 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.608 -1.627 . . . . 57.04 106.608 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 98' ' ' LEU . 24.3 t -102.6 138.85 25.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.382 -1.34 . . . . 54.22 107.382 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 47.4 t -126.37 130.36 71.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.877 -0.786 . . . . 29.36 108.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -109.76 115.69 30.32 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.081 -1.452 . . . . 19.86 107.081 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 28.6 ttt180 -100.15 101.32 12.32 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 138.78 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.384 -0.969 . . . . 13.6 108.384 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.0 m -125.81 133.97 51.83 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.316 0.579 . . . . 17.22 109.545 172.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.659 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 75.1 t -134.53 107.89 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.001 1.721 . . . . 14.92 106.661 -174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 1.4 m -133.73 146.38 50.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.28 -0.637 . . . . 21.43 109.28 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.77 102.7 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.208 -1.034 . . . . 23.61 108.208 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 22.7 t -108.41 123.95 49.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.276 -0.638 . . . . 57.75 109.276 175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 36' ' ' TRP . 7.3 mp -90.97 68.88 6.26 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.966 0.906 . . . . 99.99 109.813 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.38 -90.94 0.63 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 114.699 -1.137 . . . . 93.1 110.565 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -94.08 -29.64 15.08 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.784 0.834 . . . . 99.99 111.252 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -114.58 117.61 31.39 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 122.048 -0.408 . . . . 99.99 111.272 -170.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 30.3 m -76.84 130.85 38.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.979 0.511 . . . . 30.12 111.144 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.26 -62.42 1.48 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.456 1.102 . . . . 22.88 109.202 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -151.42 169.26 22.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 30.01 111.672 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 76' ' ' CYS . 14.9 tp -142.34 144.85 33.39 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.887 1.675 . . . . 14.44 107.689 177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.659 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 32.3 m -144.13 134.36 24.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.268 -1.012 . . . . 14.43 108.268 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -146.9 115.7 6.83 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.207 0.458 . . . . 35.14 110.442 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 81.4 t -123.22 115.2 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.671 0.789 . . . . 9.47 109.864 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 43.2 mt-30 -85.6 90.11 7.9 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.821 -0.807 . . . . 43.33 108.821 164.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' O ' HD13 ' A' ' 106' ' ' LEU . 8.6 tp-100 -77.95 111.93 14.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.906 -1.043 . . . . 15.31 108.519 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.15 150.37 19.6 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 111.309 -0.716 . . . . 20.02 111.309 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -155.72 121.46 1.1 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 111.545 -0.622 . . . . 41.88 111.545 -178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.93 127.42 39.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -134.38 161.11 35.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.421 0.688 . . . . 77.52 111.037 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 22.9 t -118.37 115.41 24.63 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.431 1.092 . . . . 99.99 109.405 -178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 1.7 mp -97.39 149.95 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 125.034 1.334 . . . . 99.99 108.399 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.56 144.8 20.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.284 0.634 . . . . 99.99 110.096 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.45 8.24 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 123.963 0.79 . . . . 99.99 114.705 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -130.96 177.2 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 123.704 0.802 . . . . 99.99 112.334 -166.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HA ' ' SD ' ' A' ' 94' ' ' MET . 0.0 OUTLIER -149.08 179.66 7.71 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.194 0.997 . . . . 99.99 110.86 -171.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.39 -135.17 51.95 Favored Glycine 0 C--N 1.356 1.667 0 O-C-N 123.777 0.673 . . . . 99.99 114.324 170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -65.7 -23.67 66.82 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.491 0.716 . . . . 99.99 112.232 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -62.42 -56.05 21.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.66 ' SD ' ' HA ' ' A' ' 90' ' ' GLU . 13.5 ptm -77.99 -18.95 55.35 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.013 -0.539 . . . . 99.99 111.264 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.01 41.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.293 0.637 . . . . 99.99 112.414 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -91.58 -18.72 23.63 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 117.995 -1.002 . . . . 99.99 112.682 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.809 ' HB2' HG13 ' E' ' 452' ' ' VAL . 31.5 t -53.06 -40.39 63.97 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.943 0.878 . . . . 99.99 112.811 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -73.95 -10.32 59.52 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 113.435 -1.711 . . . . 99.99 112.793 -179.492 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -83.29 -38.56 10.86 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.502 -0.61 . . . . 99.99 113.136 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' E' ' 454' ' ' LEU . . . -123.81 -56.65 1.66 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 114.204 1.187 . . . . 95.56 114.204 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.92 -64.87 0.76 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.861 0.465 . . . . 94.48 111.705 -170.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 57.3 m -62.0 -38.6 50.45 Favored Pre-proline 0 CA--C 1.565 1.541 0 N-CA-C 114.271 1.212 . . . . 73.2 114.271 -172.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.445 ' HD3' HG11 ' A' ' 58' ' ' VAL . 57.0 Cg_endo -69.31 -28.47 27.38 Favored 'Trans proline' 0 C--N 1.392 2.858 0 CA-C-N 121.609 1.61 . . . . 48.9 111.761 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.8 -16.22 55.92 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 122.037 -0.414 . . . . 94.19 110.747 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 51.8 mm -72.75 -27.46 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.628 0.728 . . . . 55.88 109.273 167.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' ' 82' ' ' GLY . 65.4 mt -82.37 -15.23 53.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 21.71 111.918 175.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.431 ' HD1' HD11 ' A' ' 60' ' ' LEU . 40.6 t80 -60.77 -40.36 74.33 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.792 -1.099 . . . . 15.39 112.954 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -50.86 -41.03 56.97 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.603 2.202 . . . . 9.95 114.674 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -83.13 -37.59 23.54 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.252 0.621 . . . . 20.66 111.883 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.03 98.35 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.272 -0.64 . . . . 7.34 109.272 173.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.604 HH22 ' HB3' ' A' ' 130' ' ' PRO . 30.3 ttm180 -52.65 -61.97 1.95 Allowed 'General case' 0 C--O 1.203 -1.343 0 O-C-N 125.002 1.439 . . . . 15.45 109.846 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -60.12 -35.81 76.08 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.931 0.769 . . . . 46.26 111.395 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.96 -44.47 96.69 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.557 0.743 . . . . 4.41 111.373 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.44 -51.05 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.092 0.957 . . . . 7.34 109.82 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.4 m -52.46 -42.44 64.2 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 126.338 1.855 . . . . 7.28 111.746 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -68.41 -47.82 66.28 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.77 -1.105 . . . . 4.96 110.229 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.59 -31.88 72.24 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 122.759 0.424 . . . . 48.88 111.48 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.3 -49.18 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.273 1.029 . . . . 26.6 110.415 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 94.5 p -69.74 -29.84 67.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.929 0.492 . . . . 17.97 111.725 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -67.59 -32.14 72.66 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.787 0.835 . . . . 8.38 109.908 173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.23 17.3 33.94 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 115.566 -0.743 . . . . 6.18 114.035 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.42 HG21 ' HE ' ' B' ' 15' ' ' ARG . 1.0 OUTLIER 60.89 12.0 3.6 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 126.434 1.894 . . . . 20.1 112.893 -178.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.6 159.86 62.95 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.293 1.037 . . . . 13.71 108.749 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.582 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 60.0 Cg_endo -68.51 145.01 63.11 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.349 2.033 . . . . 20.05 112.693 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.35 115.67 5.31 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 109.379 -0.6 . . . . 39.31 109.379 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 102.72 11.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.247 -1.02 . . . . 56.76 108.247 -172.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -98.56 90.68 4.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.599 -0.889 . . . . 38.41 108.599 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.5 mt -62.99 127.86 33.2 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.899 0.479 . . . . 62.97 110.527 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' E' ' 138' ' ' TYR . . . -58.64 139.25 85.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.642 0.777 . . . . 56.46 111.124 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.604 ' HB3' HH22 ' A' ' 111' ' ' ARG . 57.2 Cg_endo -73.11 70.28 3.77 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.778 2.319 . . . . 77.42 112.363 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.616 HG12 HE22 ' C' ' 4' ' ' GLN . 18.0 m -101.08 135.45 37.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 N-CA-C 107.615 -1.254 . . . . 99.99 107.615 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -82.45 64.91 7.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.012 0.925 . . . . 99.99 112.337 -167.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HG ' ' A' ' 136' ' ' LEU . 23.9 m-85 -60.71 -28.57 68.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.923 -0.485 . . . . 99.99 111.084 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.03 -28.95 64.93 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.773 0.829 . . . . 99.99 111.0 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' HB3' ' HZ ' ' E' ' 461' ' ' PHE . . . -82.27 -17.26 46.55 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 133' ' ' PHE . 4.2 pp -71.78 -20.61 61.84 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.268 0.94 . . . . 99.99 110.218 175.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.55 -27.47 69.28 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.272 0.629 . . . . 99.99 111.268 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 97.5 mmm -57.9 -26.39 62.1 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.156 0.583 . . . . 99.99 111.499 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.578 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 45.0 m-80 -55.88 -61.06 2.62 Favored 'General case' 0 C--N 1.364 1.198 0 O-C-N 123.535 0.522 . . . . 99.99 109.94 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -57.11 -31.58 65.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.215 0.947 . . . . 99.99 111.758 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.658 ' HG ' ' HG3' ' A' ' 142' ' ' GLN . 25.9 tp -68.93 -56.06 9.06 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 123.398 0.436 . . . . 99.99 111.396 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.658 ' HG3' ' HG ' ' A' ' 141' ' ' LEU . 57.8 mt-30 -157.63 -15.34 0.08 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 112.773 0.657 . . . . 99.99 112.773 -169.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 17.5 mm-40 -94.88 -17.23 22.23 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.563 0.949 . . . . 99.99 113.563 -165.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 139' ' ' ASN . 12.6 pt20 -85.55 -27.05 25.81 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.297 0.499 . . . . 99.99 110.139 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.2 150.94 1.21 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.975 1.31 . . . . 99.99 108.319 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 108.68 -113.48 3.79 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.69 -0.564 . . . . 99.99 111.69 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.52 -58.14 3.51 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.257 0.623 . . . . 99.99 110.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.63 82.25 0.37 Allowed Glycine 0 C--N 1.344 0.998 0 N-CA-C 110.624 -0.99 . . . . 99.99 110.624 -168.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 11.8 m -61.24 98.63 0.08 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.433 1.093 . . . . 99.99 111.098 -174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 59.98 28.76 18.33 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.267 1.427 . . . . 99.99 112.152 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 62.08 -86.81 0.02 OUTLIER 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.011 1.324 . . . . 99.99 110.496 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -139.31 -4.84 1.45 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.182 0.993 . . . . 99.99 110.181 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.16 142.46 27.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.364 1.066 . . . . 99.99 110.43 -174.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -94.24 -18.19 21.93 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.503 0.721 . . . . 99.99 109.844 170.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.527 1.131 . . . . 99.99 109.604 -176.219 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.88 -0.415 . . . . 99.99 109.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' B' ' 147' ' ' GLU . 38.5 t -81.25 168.86 18.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.98 0.912 . . . . 99.99 111.209 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' B' ' 93' ' ' GLN . 3.9 tm-20 -81.01 -36.53 30.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.814 0.845 . . . . 99.99 109.427 170.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.42 ' HG2' ' OG ' ' B' ' 2' ' ' SER . 10.8 pt20 -83.46 -168.48 2.12 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.565 0.746 . . . . 99.99 110.947 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 71.2 100.72 0.06 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.399 1.479 . . . . 99.99 110.067 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 56.77 65.84 1.31 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.183 0.993 . . . . 99.99 110.366 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.2 p -79.08 87.13 4.86 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.372 -0.831 . . . . 99.99 109.291 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.444 ' HB2' ' HB1' ' E' ' 64' ' ' ALA . 47.1 mt-10 -131.66 -62.46 0.86 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.584 -0.734 . . . . 99.99 110.271 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.475 ' SD ' HD11 ' B' ' 89' ' ' ILE . 24.1 ttt 62.43 -178.06 0.14 Allowed 'General case' 0 CA--C 1.564 1.491 0 O-C-N 124.103 0.877 . . . . 99.99 109.711 -171.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' B' ' 9' ' ' MET . 23.7 m -137.36 125.73 23.36 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 162.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.499 ' HA ' HG22 ' B' ' 86' ' ' ILE . 16.8 t80 -130.43 133.73 46.56 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.867 -1.16 . . . . 93.55 107.867 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -130.58 113.48 14.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.892 0.477 . . . . 99.99 110.326 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HE2' ' B' ' 11' ' ' PHE . 3.7 mp -82.53 120.69 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 106.871 -1.529 . . . . 40.88 106.871 169.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -104.12 -47.98 4.0 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 117.764 0.256 . . . . 85.25 111.226 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' E' ' 128' ' ' ALA . 43.9 ttt180 -166.31 139.59 4.04 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 117.528 0.149 . . . . 95.33 110.84 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.757 HD12 HD21 ' D' ' 127' ' ' ASN . 51.5 mt -115.5 138.72 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 107.438 -1.319 . . . . 13.6 107.438 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.423 ' OH ' ' HG3' ' A' ' 29' ' ' PRO . 41.9 p90 -170.25 154.03 4.72 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.879 0.371 . . . . 23.1 111.825 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 51.9 m -75.04 129.8 38.23 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.847 0.859 . . . . 6.51 109.18 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -98.46 -43.98 6.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.155 0.582 . . . . 19.94 109.433 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.04 148.21 36.35 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.656 -0.702 . . . . 37.8 109.878 -166.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.667 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -148.44 145.67 18.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 126.169 1.788 . . . . 5.14 107.575 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -149.48 141.24 23.61 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.601 0.76 . . . . 19.25 109.398 170.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.2 t80 -148.53 122.21 9.24 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.012 0.925 . . . . 9.84 108.67 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -133.64 115.81 15.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.821 0.848 . . . . 50.65 108.787 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -109.65 89.52 7.69 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.925 0.89 . . . . 18.09 109.129 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.4 -29.14 62.74 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.508 2.139 . . . . 31.77 111.774 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.26 26.42 10.28 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.321 1.049 . . . . 49.39 110.568 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.544 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -43.31 -49.98 16.09 Favored Pre-proline 0 N--CA 1.492 1.66 0 C-N-CA 125.734 1.614 . . . . 51.5 114.338 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 23.1 Cg_exo -68.43 -28.48 32.49 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 122.322 2.015 . . . . 70.98 113.039 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' B' ' 33' ' ' GLN . 69.3 m80 -92.18 4.86 52.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.168 0.987 . . . . 99.99 112.348 -173.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.84 -17.39 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 112.313 0.486 . . . . 99.99 112.313 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -69.48 -32.45 71.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.106 0.562 . . . . 99.99 110.202 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' B' ' 30' ' ' HIS . 5.0 tt0 -64.95 -49.08 71.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.492 0.717 . . . . 99.99 110.692 175.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -105.92 85.76 2.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.854 -1.067 . . . . 98.87 110.345 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -104.3 87.4 2.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.302 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 33.4 p90 -160.08 176.68 11.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.456 0.702 . . . . 99.99 110.313 172.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' B' ' 38' ' ' PRO . 32.0 tp60 -67.49 111.85 8.58 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.449 1.1 . . . . 99.99 109.953 177.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' NE2' ' B' ' 37' ' ' GLN . 55.5 Cg_endo -67.7 152.4 77.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.384 2.056 . . . . 63.52 112.877 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 127.36 32.93 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 107.651 -1.24 . . . . 99.99 107.651 171.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.522 HG11 HD11 ' B' ' 126' ' ' LEU . 60.3 t -116.31 131.09 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.343 0.657 . . . . 72.1 110.857 -168.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -122.84 101.33 7.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.916 1.286 . . . . 99.99 109.256 175.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' E' ' 7' ' ' ALA . 0.2 OUTLIER -103.48 125.11 49.86 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.377 -0.971 . . . . 96.73 108.377 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -125.44 147.83 49.05 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.081 0.952 . . . . 92.63 109.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD22 HD11 ' E' ' 11' ' ' LEU . 5.8 mp -99.99 165.99 11.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.54 0.736 . . . . 67.27 110.021 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.4 t70 -152.66 155.94 38.27 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.373 1.069 . . . . 58.71 109.742 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.8 m -109.06 123.99 50.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.697 0.799 . . . . 66.97 109.793 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.29 133.98 46.88 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.463 -0.94 . . . . 35.64 108.463 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -143.27 162.44 35.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.307 0.484 . . . . 74.75 112.307 -173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.3 p -168.93 170.84 8.77 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.294 . . . . 43.74 109.242 166.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -100.91 135.31 42.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.136 0.574 . . . . 89.61 110.291 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 29' ' ' PRO . 52.0 mt -101.88 -43.63 5.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.642 0.777 . . . . 71.01 109.591 174.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.33 -169.18 2.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.7 1.2 . . . . 85.91 109.652 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 102.17 0.39 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.439 -0.801 . . . . 99.99 109.106 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.56 ' HA ' ' CE1' ' B' ' 56' ' ' TYR . 36.9 m-20 66.82 11.95 8.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.753 0.821 . . . . 99.99 113.123 174.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' B' ' 85' ' ' SER . 83.9 t -104.66 110.65 31.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 105.46 -2.052 . . . . 76.71 105.46 161.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 95.7 m-85 -121.31 161.81 21.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.865 0.84 . . . . 98.07 110.421 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.506 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.6 tt0 -97.2 94.12 6.93 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.68 -1.97 . . . . 46.84 105.68 170.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 m -108.2 116.05 50.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.868 -1.16 . . . . 57.34 107.868 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 t -127.34 144.71 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 114.998 -1.001 . . . . 21.57 110.183 -166.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -118.44 123.17 44.54 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.785 -1.191 . . . . 62.33 107.785 168.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.752 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 10.6 ttm180 -85.55 140.84 30.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.06 0.944 . . . . 95.32 108.862 175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -117.25 104.16 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.445 -0.946 . . . . 14.84 108.445 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -95.62 147.64 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.109 0.964 . . . . 28.15 108.464 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 75.6 t -140.33 124.1 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.041 0.937 . . . . 18.14 109.494 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -98.33 147.43 24.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.009 -1.108 . . . . 24.35 108.009 161.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.39 139.54 30.04 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.469 -0.938 . . . . 26.44 108.469 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.2 p -146.11 130.2 17.42 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.658 0.599 . . . . 56.64 110.849 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 48.4 mt -99.97 108.74 21.02 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.803 -1.184 . . . . 62.67 107.803 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.94 -118.79 6.15 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.642 0.589 . . . . 81.37 111.947 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.34 8.75 23.49 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.879 0.872 . . . . 99.99 110.265 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -117.49 143.09 46.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 99.99 110.134 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -66.38 115.28 6.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.476 0.71 . . . . 33.32 110.601 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -72.63 -58.02 3.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.074 -0.966 . . . . 25.99 109.041 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -159.93 167.94 26.86 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.317 -1.311 . . . . 18.76 110.904 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 mt -125.6 116.12 21.23 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.581 -1.637 . . . . 16.93 106.581 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.683 ' SG ' HG23 ' B' ' 114' ' ' ILE . 41.7 t -118.07 148.73 42.0 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.878 -0.786 . . . . 12.76 108.878 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -163.9 137.87 5.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.807 0.276 . . . . 30.38 110.402 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -136.44 153.87 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.747 1.219 . . . . 8.91 109.317 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -124.94 109.79 13.43 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.818 -1.179 . . . . 33.15 107.818 165.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -97.15 101.88 13.54 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.196 -1.039 . . . . 11.26 108.196 177.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.29 142.64 16.49 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.715 -0.675 . . . . 11.78 111.789 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.53 126.84 4.27 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 109.396 -1.482 . . . . 23.01 109.396 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 83.9 mt -85.49 123.49 39.4 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 108.154 -1.054 . . . . 39.34 108.154 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -138.69 149.99 45.71 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.042 0.937 . . . . 63.88 109.285 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.611 ' HB3' HG22 ' B' ' 55' ' ' VAL . 16.9 p -130.37 115.66 17.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.632 -1.618 . . . . 82.93 106.632 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.551 ' O ' HG22 ' E' ' 18' ' ' VAL . 44.7 pt -138.98 139.85 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 N-CA-C 111.993 0.368 . . . . 98.2 111.993 -168.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' E' ' 19' ' ' THR . . . -140.78 170.76 15.15 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.444 0.905 . . . . 99.99 113.444 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.22 -34.83 5.45 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 115.285 -0.87 . . . . 99.99 114.308 163.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.614 ' HB ' ' SD ' ' B' ' 94' ' ' MET . 2.8 mt -91.55 159.19 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 117.17 0.485 . . . . 99.99 110.604 -177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -151.8 147.38 26.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.234 1.014 . . . . 99.99 108.55 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.87 -133.79 11.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 111.882 -0.487 . . . . 99.99 111.882 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 57.0 m -86.52 -30.35 22.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.892 0.877 . . . . 99.99 111.995 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' B' ' 3' ' ' GLU . 0.8 OUTLIER -70.05 -18.8 63.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.805 0.442 . . . . 99.99 111.707 -172.194 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.614 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 4.2 tpt -70.27 -25.99 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.094 0.473 . . . . 99.99 110.308 176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' E' ' 13' ' ' LEU . . . -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.636 0.774 . . . . 99.99 111.539 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 27.7 t-80 -65.54 -34.38 78.12 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.603 0.361 . . . . 99.99 110.676 173.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.86 -56.74 16.22 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.236 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.512 HD21 HD11 ' B' ' 86' ' ' ILE . 1.3 mm? -91.64 -25.0 19.36 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.032 0.533 . . . . 71.23 111.983 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.64 6.66 57.41 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.19 -0.459 . . . . 59.87 114.17 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.606 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -147.91 -54.18 0.21 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 122.611 0.364 . . . . 71.19 110.843 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -82.85 -48.08 11.15 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.65 0.611 . . . . 99.99 112.65 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.7 -34.0 16.96 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.588 0.959 . . . . 50.37 113.588 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 47.9 Cg_exo -46.99 -40.38 25.73 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.781 2.321 . . . . 36.29 114.435 165.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -67.38 -18.3 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 111.933 0.346 . . . . 87.59 111.933 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 49.7 mt -93.8 -49.08 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.569 0.748 . . . . 37.19 110.971 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.94 -42.54 14.86 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.166 0.586 . . . . 13.07 112.475 -170.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 4.3 m-85 -63.55 -28.22 3.19 Favored Pre-proline 0 N--CA 1.488 1.468 0 CA-C-O 116.659 -1.638 . . . . 99.99 115.206 -173.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HG3' ' B' ' 130' ' ' PRO . 86.6 Cg_exo -48.23 -40.27 34.92 Favored 'Trans proline' 0 C--N 1.389 2.704 0 CA-C-N 122.866 2.059 . . . . 10.37 113.414 167.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -80.63 -43.53 20.33 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.653 0.781 . . . . 12.29 110.808 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -58.09 -39.54 78.85 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.503 . . . . 8.75 110.255 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -56.68 -59.67 4.67 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.657 1.583 . . . . 59.14 110.776 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.43 -26.96 66.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.035 0.834 . . . . 51.9 110.304 -174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.3 t -69.41 -40.32 77.38 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.103 0.561 . . . . 13.3 110.158 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.683 HG23 ' SG ' ' B' ' 76' ' ' CYS . 75.6 mt -67.57 -43.58 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.312 0.645 . . . . 9.86 109.892 174.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 8.6 m -59.27 -35.45 73.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.912 0.885 . . . . 13.13 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -64.68 -47.6 77.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.077 -0.965 . . . . 8.02 109.837 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 47.3 mmm -57.69 -44.64 85.95 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.365 0.666 . . . . 26.78 110.917 -178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.7 t -63.8 -44.0 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.405 -1.27 . . . . 13.3 110.546 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 45.6 m -66.77 -31.72 72.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.84 0.856 . . . . 29.79 112.031 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -72.6 -36.43 68.12 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.662 0.785 . . . . 11.55 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.72 2.18 69.46 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.621 0.576 . . . . 16.97 112.308 172.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 29.9 p 63.09 38.67 10.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.525 1.93 . . . . 23.15 112.382 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.57 163.02 21.39 Favored Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.672 1.189 . . . . 23.84 109.93 172.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.03 -167.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.395 3.019 0 C-N-CA 123.744 2.963 . . . . 29.89 114.829 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.98 137.73 57.92 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.949 0.499 . . . . 99.99 112.183 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.522 HD11 HG11 ' B' ' 40' ' ' VAL . 21.2 tp -153.66 98.76 2.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.918 -0.583 . . . . 72.13 109.666 168.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.42 121.02 20.53 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.852 -0.795 . . . . 73.04 108.852 174.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.636 HD23 ' H ' ' B' ' 128' ' ' LEU . 1.9 pt? -88.44 107.36 18.82 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.471 -0.937 . . . . 90.81 108.471 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.06 121.84 86.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 108.347 -0.983 . . . . 43.15 108.347 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.403 ' HG3' ' HD3' ' B' ' 108' ' ' PRO . 9.4 Cg_endo -56.26 109.82 0.49 Allowed 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.167 1.911 . . . . 61.27 112.097 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.448 ' H ' ' HG ' ' E' ' 8' ' ' LEU . 10.8 m -91.83 157.1 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.94 0.896 . . . . 99.57 111.067 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -76.56 79.62 3.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.681 0.792 . . . . 99.99 111.228 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -90.31 -10.5 43.89 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 115.661 -0.7 . . . . 99.99 110.017 164.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.606 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 8.4 t70 -57.32 -37.5 72.61 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.818 1.647 . . . . 99.99 112.336 177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.37 69.63 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.013 0.821 . . . . 99.99 110.936 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.47 -35.65 76.4 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.263 1.025 . . . . 99.99 110.489 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -43.03 99.91 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.49 0.716 . . . . 99.99 110.349 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.04 -34.02 44.19 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.679 0.392 . . . . 99.99 111.833 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -73.4 -33.19 64.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.423 0.289 . . . . 99.99 110.434 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.16 -47.8 82.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.663 0.602 . . . . 99.99 109.673 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.479 ' HA ' ' HB3' ' B' ' 144' ' ' GLN . 97.6 mt -83.61 -3.29 57.58 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.45 -0.795 . . . . 99.99 112.154 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -74.19 -47.73 33.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.029 0.531 . . . . 99.99 110.217 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -84.15 -36.47 22.86 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.017 -0.538 . . . . 99.99 110.465 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' B' ' 141' ' ' LEU . 7.9 tp60 -61.73 -25.65 67.57 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.448 0.699 . . . . 99.99 111.205 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.1 115.0 4.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.625 0.77 . . . . 99.99 111.029 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.25 -49.41 57.43 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.934 0.771 . . . . 99.99 112.68 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 2' ' ' SER . 3.5 mp0 -72.22 94.46 1.57 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.95 -0.759 . . . . 99.99 108.95 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -167.49 49.64 0.24 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.547 -1.021 . . . . 99.99 110.547 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.2 m -66.27 -30.37 70.78 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.912 0.885 . . . . 99.99 111.98 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 69.42 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.86 1.264 . . . . 99.99 110.035 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -120.04 -45.74 2.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.307 1.043 . . . . 99.99 108.963 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -111.63 -64.78 1.24 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 106.807 -1.553 . . . . 99.99 106.807 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -142.48 -55.19 0.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 105.344 -2.095 . . . . 99.99 105.344 157.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -152.88 -56.79 0.13 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 99.99 107.262 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.801 -1.091 . . . . 99.99 109.111 171.22 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.541 ' HG3' ' HB ' ' E' ' 389' ' ' THR . 77.5 mtp . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m 61.61 7.46 1.89 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.689 1.196 . . . . 99.99 113.67 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 58.01 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.073 1.349 . . . . 99.99 112.168 -171.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.616 HE22 HG12 ' A' ' 131' ' ' VAL . 16.9 mm-40 70.93 -88.06 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.354 1.462 . . . . 99.99 109.227 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' E' ' 148' ' ' GLU . 3.4 t-20 36.37 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.322 1.449 . . . . 99.99 113.702 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -65.04 81.93 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.781 1.232 . . . . 99.99 109.883 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -167.12 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.536 2.335 . . . . 99.99 106.342 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 67.22 159.8 0.15 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 126.675 1.99 . . . . 99.99 111.626 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.3 136.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.866 1.267 . . . . 99.99 112.404 177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 93.5 m -84.32 99.18 10.44 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.716 -0.615 . . . . 99.99 109.998 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' E' ' 141' ' ' ALA . 55.1 m-85 -124.62 138.43 54.31 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 166.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.488 HE22 HG12 ' E' ' 135' ' ' VAL . 9.1 tm0? -153.28 132.21 12.49 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.912 -0.773 . . . . 99.99 108.912 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' C' ' 84' ' ' PHE . 1.8 mp -89.64 111.8 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.12 -1.067 . . . . 56.3 108.12 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 30.7 mm-40 -77.55 -51.6 10.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.747 -0.464 . . . . 93.16 109.747 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 32' ' ' PHE . 1.3 ptm180 -172.7 141.48 1.09 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.597 1.159 . . . . 99.99 109.349 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -112.47 143.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.558 1.143 . . . . 11.74 109.139 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' OG1' ' D' ' 122' ' ' THR . 12.1 p90 -175.16 161.73 2.9 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 113.154 0.798 . . . . 19.28 113.154 -174.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -89.09 117.13 27.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.267 -0.879 . . . . 6.91 109.038 173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -82.32 -38.85 23.69 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.98 -0.748 . . . . 21.95 108.98 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 24.2 t70 -134.54 136.54 43.12 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 114.997 -1.001 . . . . 50.62 109.681 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.7 mt -139.29 143.79 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 107.24 -1.393 . . . . 5.12 107.24 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -157.63 152.5 25.46 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.118 0.967 . . . . 9.28 110.469 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 88.3 t80 -149.14 109.7 4.23 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 106.57 -1.641 . . . . 8.82 106.57 167.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -116.91 124.45 49.48 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.335 0.654 . . . . 30.58 109.456 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -134.01 83.65 45.34 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.263 -1.014 . . . . 12.04 108.263 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.1 -23.23 34.01 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.969 2.446 . . . . 30.41 112.754 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -111.92 29.74 7.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.635 0.774 . . . . 61.38 110.363 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CB ' ' C' ' 25' ' ' ALA . . . -58.32 -50.9 85.5 Favored Pre-proline 0 CA--C 1.568 1.64 0 N-CA-C 113.793 1.034 . . . . 26.66 113.793 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.6 -30.58 3.02 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 121.609 1.539 . . . . 35.22 112.355 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -68.06 -24.2 65.04 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.904 1.282 . . . . 48.75 112.394 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.571 HG23 ' HE2' ' C' ' 34' ' ' LYS . 9.7 p -75.54 -11.62 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.167 0.587 . . . . 55.24 111.559 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.504 ' HA ' ' CZ2' ' C' ' 36' ' ' TRP . 66.2 t80 -66.15 -38.33 87.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.65 0.78 . . . . 99.99 111.833 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -94.51 18.12 11.91 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.81 0.844 . . . . 97.11 111.188 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' C' ' 31' ' ' VAL . 6.1 ttpm? -123.08 157.82 31.98 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.055 0.942 . . . . 88.6 109.856 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.15 123.8 14.84 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.661 1.184 . . . . 99.99 110.479 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.65 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 74.3 m95 -85.29 74.65 10.38 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.469 0.707 . . . . 99.99 110.285 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.4 81.75 1.72 Allowed Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -89.76 152.69 5.08 Favored 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.34 2.694 . . . . 68.93 111.652 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.41 117.93 25.53 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.569 -1.271 . . . . 99.99 107.569 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.627 ' HB ' ' HE1' ' E' ' 290' ' ' TRP . 73.4 t -85.77 111.13 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 87.15 110.616 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 131.67 46.55 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.61 -1.255 . . . . 99.99 107.61 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.448 ' H ' ' HA ' ' E' ' 289' ' ' ARG . 84.7 mt -88.63 152.74 21.63 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.765 -0.828 . . . . 94.05 108.765 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.643 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 6.4 m-20 -142.19 103.51 4.3 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' E' ' 285' ' ' ASN . 7.1 mp -96.68 147.29 24.06 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.255 -1.017 . . . . 71.87 108.255 177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 16.6 t70 -149.97 149.47 30.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.612 -0.884 . . . . 92.17 108.612 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 41.6 p -117.14 127.23 53.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.51 0.724 . . . . 62.96 110.625 -173.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -121.64 153.23 38.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.112 0.965 . . . . 35.73 109.392 173.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.406 ' OG ' ' HG3' ' E' ' 275' ' ' LYS . 60.1 p -153.6 145.7 23.73 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.259 0.624 . . . . 56.22 110.312 -176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.2 t -145.57 152.15 39.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.501 0.721 . . . . 43.42 109.906 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -102.08 122.04 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.928 -0.768 . . . . 99.99 108.928 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.518 HD11 HD12 ' C' ' 83' ' ' ILE . 81.9 mt -99.36 -32.26 11.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.781 0.832 . . . . 61.44 110.747 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' C' ' 55' ' ' VAL . . . -171.39 -171.57 0.96 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.818 0.847 . . . . 94.06 110.609 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.47 115.35 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.375 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.43 20.57 11.98 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.55 1.156 . . . . 99.99 111.466 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' C' ' 51' ' ' LEU . 61.1 t -127.04 102.1 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.157 -1.423 . . . . 81.86 107.157 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.93 167.88 11.69 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.76 0.824 . . . . 99.99 109.409 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -118.42 118.52 31.97 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.31 1.044 . . . . 35.21 109.073 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.65 117.88 46.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.117 -1.068 . . . . 29.6 108.117 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 47.8 t -120.87 136.83 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.873 0.869 . . . . 20.9 108.674 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -122.34 111.21 16.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.232 -1.395 . . . . 69.19 107.232 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.3 ttm180 -81.88 113.5 19.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.752 -0.832 . . . . 99.99 108.752 174.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' C' ' 114' ' ' ILE . 3.2 t -100.51 132.05 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.922 -1.51 . . . . 14.53 106.922 171.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 21.4 m -135.72 116.25 13.78 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.607 -0.886 . . . . 20.42 108.607 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 114' ' ' ILE . 19.8 t -110.26 121.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.657 -0.868 . . . . 17.7 108.657 -172.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' C' ' 40' ' ' VAL . 15.3 m -119.25 145.28 46.21 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.084 0.954 . . . . 29.53 108.628 -170.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.55 112.97 11.93 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.982 -1.118 . . . . 32.22 107.982 173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 37.0 p -144.56 134.18 23.47 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.799 -0.445 . . . . 59.66 109.799 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.557 HD11 ' HD2' ' C' ' 34' ' ' LYS . 1.1 pp -97.94 59.74 1.44 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.147 0.979 . . . . 97.29 109.223 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.21 -120.06 6.22 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 114.675 -1.148 . . . . 76.35 110.8 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -89.15 -30.69 18.41 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.23 0.515 . . . . 99.99 110.037 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.07 114.77 17.26 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.195 0.998 . . . . 77.02 110.037 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -88.63 134.09 33.99 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.249 0.62 . . . . 37.0 110.709 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.93 -59.19 2.88 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.654 1.182 . . . . 34.06 110.088 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -156.06 177.04 11.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 121.421 0.629 . . . . 39.96 111.815 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -146.61 148.41 32.07 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.444 1.498 . . . . 16.54 107.878 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' C' ' 114' ' ' ILE . 42.4 t -145.54 152.9 40.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.443 1.097 . . . . 10.97 108.042 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.36 132.41 7.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.777 0.431 . . . . 36.61 110.487 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' C' ' 110' ' ' ALA . 24.1 t -137.14 114.07 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.43 1.092 . . . . 9.25 108.577 174.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.699 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 24.4 mt-30 -91.21 96.67 10.69 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.595 -0.891 . . . . 25.23 108.595 170.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.9 tp-100 -81.39 112.04 18.3 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.931 -1.031 . . . . 10.64 109.925 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.16 150.85 20.12 Favored Glycine 0 C--N 1.34 0.79 0 O-C-N 123.577 0.548 . . . . 10.6 112.32 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -152.93 123.01 1.36 Allowed Glycine 0 CA--C 1.5 -0.88 0 N-CA-C 110.402 -1.079 . . . . 19.17 110.402 175.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 16.9 mm -85.44 120.49 35.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 108.336 -0.987 . . . . 30.38 108.336 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' C' ' 13' ' ' ILE . 42.8 m-85 -133.57 125.47 28.9 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.294 0.638 . . . . 49.62 110.02 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 33.0 m -72.43 117.09 13.66 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.935 -0.765 . . . . 92.15 108.935 169.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' C' ' 10' ' ' THR . 2.5 tp -131.34 128.36 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.867 . . . . 99.99 110.689 -174.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.5 173.51 14.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.739 1.215 . . . . 99.99 110.57 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.01 -60.33 0.34 Allowed Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.899 -0.591 . . . . 99.99 114.555 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.489 HG23 ' HE1' ' E' ' 147' ' ' HIS . 1.1 pp -125.79 168.15 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.544 0.737 . . . . 99.99 111.083 -175.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -155.03 152.07 29.19 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.695 -1.139 . . . . 99.99 108.365 -174.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.3 -136.37 13.19 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-O 119.577 -0.568 . . . . 99.99 113.106 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.465 ' HA ' HD21 ' E' ' 265' ' ' LEU . 40.5 p -61.37 -49.89 75.12 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.623 0.769 . . . . 99.99 111.827 -174.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -50.43 69.54 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.93 0.892 . . . . 99.99 110.059 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -47.14 79.77 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 114.662 -1.154 . . . . 99.99 110.881 -176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.08 77.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.475 0.71 . . . . 99.99 112.311 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -73.06 -25.63 60.99 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 122.355 -0.215 . . . . 99.99 111.469 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.06 -40.02 20.44 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.181 0.593 . . . . 99.99 110.716 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' E' ' 280' ' ' LEU . 46.5 tp -67.35 -42.71 83.06 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.927 0.891 . . . . 99.99 110.989 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.66 -10.72 84.85 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.371 -0.831 . . . . 68.51 113.41 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.28 -62.76 1.53 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.505 0.653 . . . . 56.52 111.163 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.53 -51.91 65.54 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.431 0.692 . . . . 99.99 112.251 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' HE1' ' C' ' 11' ' ' PHE . 62.9 m -61.09 -46.46 96.21 Favored Pre-proline 0 CA--C 1.569 1.682 0 N-CA-C 113.053 0.761 . . . . 56.59 113.053 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.446 ' HG3' ' HZ ' ' E' ' 281' ' ' PHE . 52.4 Cg_exo -59.08 -34.07 98.73 Favored 'Trans proline' 0 C--N 1.399 3.185 0 C-N-CA 122.292 1.995 . . . . 39.21 113.182 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.32 67.2 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.541 0.571 . . . . 71.72 112.541 -177.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.477 HD12 HH12 ' A' ' 111' ' ' ARG . 39.9 mm -72.15 -51.36 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.143 0.497 . . . . 8.71 109.699 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' C' ' 82' ' ' GLY . 81.7 mt -74.82 -27.81 60.44 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.938 -1.028 . . . . 37.06 112.715 -170.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.19 -53.71 62.29 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.59 -1.195 . . . . 16.74 113.184 -167.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.19 -33.75 96.52 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 121.814 1.676 . . . . 9.85 113.18 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -66.31 -46.84 75.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.472 0.709 . . . . 5.88 111.257 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.57 -39.3 84.88 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.19 0.519 . . . . 7.64 110.648 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.15 -55.98 28.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.85 1.66 . . . . 20.64 111.196 -174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.92 -33.5 76.18 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.943 0.777 . . . . 38.86 110.745 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 31.4 t -67.21 -44.75 78.79 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.418 0.687 . . . . 13.9 111.445 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.649 HG21 HG21 ' C' ' 64' ' ' VAL . 98.6 mt -65.01 -48.24 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 123.695 0.798 . . . . 8.58 110.825 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . 0.46 HG23 ' HB3' ' C' ' 125' ' ' GLN . 40.4 m -59.9 -38.94 83.7 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 123.839 0.712 . . . . 8.54 110.374 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.001 -1.0 . . . . 6.56 110.485 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.561 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.82 -36.81 75.11 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.386 1.074 . . . . 5.22 112.555 -177.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 114' ' ' ILE . 45.5 t -67.45 -42.7 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-O 120.934 0.397 . . . . 28.53 110.124 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 42.2 t -66.12 -28.93 69.18 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.929 0.891 . . . . 17.6 111.624 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 84.2 mtt-85 -68.88 -33.03 73.11 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.541 0.736 . . . . 7.72 110.131 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.51 13.82 57.04 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 119.346 -0.697 . . . . 10.8 113.462 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . 0.46 HG23 ' HB3' ' D' ' 17' ' ' TYR . 68.0 p 58.16 24.14 11.0 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.941 1.696 . . . . 15.17 112.996 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -104.91 147.49 34.56 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.587 0.755 . . . . 24.81 109.522 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.09 125.96 20.62 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.144 2.563 . . . . 29.42 112.767 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' C' ' 115' ' ' THR . 27.8 mt-30 -60.71 150.85 30.95 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.503 1.127 . . . . 72.03 111.804 -174.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.78 107.96 18.59 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 107.858 -1.164 . . . . 59.85 107.858 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -87.67 89.22 7.91 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 107.976 -1.12 . . . . 41.85 107.976 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.65 127.67 33.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.916 -1.038 . . . . 38.57 110.312 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.85 145.03 80.82 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.945 0.898 . . . . 24.62 111.15 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' ' 16' ' ' ILE . 47.4 Cg_endo -68.23 102.13 0.78 Allowed 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.526 2.151 . . . . 24.48 110.785 169.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.56 142.82 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.515 0.726 . . . . 68.05 109.211 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -73.9 100.8 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -65.24 -27.31 68.57 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 99.99 112.647 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.69 -47.82 83.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.552 0.741 . . . . 99.99 109.703 175.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.89 -29.16 61.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.434 1.094 . . . . 99.99 111.649 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.604 HD21 HG22 ' E' ' 288' ' ' VAL . 1.2 tt -63.72 -30.99 72.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.202 1.001 . . . . 99.99 110.216 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.38 -32.93 71.76 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.104 0.562 . . . . 99.99 110.647 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.6 -39.16 46.43 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.045 0.938 . . . . 99.99 110.843 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -54.21 -32.28 55.35 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.236 1.014 . . . . 99.99 112.592 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -42.66 -82.02 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.849 1.26 . . . . 99.99 111.933 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' E' ' 262' ' ' ALA . 41.9 tp -82.9 74.26 9.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 122.351 1.072 . . . . 99.99 109.415 174.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.22 -22.3 5.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.268 -1.333 . . . . 99.99 108.682 172.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 73.05 138.62 0.05 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.705 1.602 . . . . 99.99 110.143 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 17.4 pm0 -84.94 141.2 30.54 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.892 0.877 . . . . 99.99 110.882 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.09 30.58 0.76 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.681 0.792 . . . . 99.99 111.456 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.81 -39.73 2.78 Favored Glycine 0 C--N 1.35 1.309 0 N-CA-C 112.202 -0.359 . . . . 99.99 112.202 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 65.71 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.544 1.538 . . . . 99.99 111.925 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.62 164.35 34.03 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 112.475 -0.25 . . . . 99.99 112.475 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.0 t -153.5 43.37 0.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.828 1.251 . . . . 99.99 107.655 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.59 -34.77 69.58 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.486 -1.234 . . . . 99.99 111.835 -172.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.98 139.34 50.0 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -161.56 122.17 2.69 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.216 1.406 . . . . 99.99 107.444 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -63.01 -66.79 0.49 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.369 0.667 . . . . 99.99 112.196 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -103.13 -51.73 3.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.19 0.596 . . . . 99.99 110.445 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.7 0.8 . . . . 99.99 109.142 -177.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.488 ' N ' ' HB3' ' E' ' 83' ' ' ALA . 13.3 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 45.43 -91.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 125.416 1.486 . . . . 99.99 113.033 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.7 ' HG3' ' HG3' ' D' ' 93' ' ' GLN . 3.9 mp0 -102.82 63.61 0.84 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.935 0.894 . . . . 99.99 109.383 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 54.21 83.41 0.08 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.111 1.364 . . . . 99.99 111.696 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.09 70.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.027 0.931 . . . . 99.99 110.284 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -77.4 109.05 10.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 121.274 0.559 . . . . 99.99 110.325 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.493 ' HB ' ' HA2' ' D' ' 88' ' ' GLY . 35.7 m -77.39 66.16 3.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.761 1.224 . . . . 99.99 109.905 175.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' E' ' 87' ' ' ALA . 27.0 mm-40 42.43 61.19 2.1 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.427 1.491 . . . . 99.99 112.11 -174.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 25.5 ttt -31.41 124.38 0.24 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.182 1.393 . . . . 99.99 113.924 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -119.28 138.91 52.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.961 -0.755 . . . . 99.99 108.961 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -132.74 119.92 20.96 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.377 -0.971 . . . . 76.43 108.377 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.13 138.78 44.08 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.975 0.91 . . . . 99.99 109.019 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.657 HD13 HG21 ' D' ' 105' ' ' ILE . 21.9 mt -97.94 122.69 49.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.305 -0.998 . . . . 41.34 108.305 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -94.35 -27.47 16.06 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.855 0.722 . . . . 79.46 110.346 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -177.92 139.1 0.21 Allowed 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.579 0.549 . . . . 99.99 109.832 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mt -133.85 134.41 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 124.204 1.002 . . . . 53.22 109.038 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HB3' HG23 ' C' ' 122' ' ' THR . 25.9 p90 -166.15 148.85 7.16 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.441 1.096 . . . . 19.87 110.393 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -75.73 114.92 14.87 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.171 -0.677 . . . . 8.43 109.171 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.83 -47.73 20.55 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.411 -0.959 . . . . 36.9 108.411 172.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 12.8 t70 -129.8 139.39 51.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.191 -1.368 . . . . 36.68 109.273 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' C' ' 117' ' ' MET . 87.8 mt -131.98 147.32 32.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 107.29 -1.374 . . . . 4.02 107.29 169.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 47.1 t -148.31 142.41 26.0 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.797 1.239 . . . . 7.64 108.458 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 76.8 t80 -152.21 111.03 3.81 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 105.526 -2.027 . . . . 5.08 105.526 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -124.34 111.82 16.24 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.647 -0.872 . . . . 28.73 108.647 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.12 88.89 1.71 Allowed Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 107.03 -1.47 . . . . 7.19 107.03 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.04 -23.57 12.02 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.792 2.328 . . . . 13.41 113.015 -163.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -114.98 21.45 14.28 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.018 0.927 . . . . 11.97 109.913 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.14 -63.05 1.83 Allowed Pre-proline 0 CA--C 1.564 1.516 0 N-CA-C 114.88 1.437 . . . . 12.01 114.88 -161.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.428 ' HB3' HD11 ' C' ' 83' ' ' ILE . 96.3 Cg_endo -72.03 -22.37 22.95 Favored 'Trans proline' 0 C--N 1.391 2.8 0 CA-C-N 122.033 1.762 . . . . 20.55 112.896 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -70.64 -46.07 63.98 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.767 1.227 . . . . 22.26 110.853 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.7 p -82.93 -11.25 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.275 0.63 . . . . 34.6 110.973 -170.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.455 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 16.5 m-30 -69.56 -0.24 6.39 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.776 0.831 . . . . 32.96 112.761 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.636 ' HA ' HE21 ' D' ' 33' ' ' GLN . 0.0 OUTLIER -82.96 -1.6 52.86 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.799 0.44 . . . . 99.99 111.045 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -117.12 75.31 0.97 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.526 1.131 . . . . 31.63 108.609 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.59 84.74 6.11 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.802 -170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -159.13 -176.73 6.01 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.249 1.019 . . . . 49.29 109.637 170.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' D' ' 124' ' ' PRO . 29.8 tp60 -70.81 111.04 8.36 Favored Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 124.193 0.997 . . . . 99.99 111.12 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -53.64 136.72 65.48 Favored 'Trans proline' 0 C--N 1.39 2.721 0 C-N-CA 123.057 2.505 . . . . 31.29 113.377 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . 0.65 ' HG3' HD23 ' E' ' 321' ' ' LEU . 25.1 mm-40 -70.19 113.54 7.47 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.483 HG21 HD13 ' D' ' 126' ' ' LEU . 64.1 t -99.3 135.55 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.122 0.569 . . . . 52.79 110.672 -169.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -115.77 109.57 17.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 51.2 tp -97.5 130.4 44.59 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.473 0.709 . . . . 74.77 109.552 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.51 129.59 15.47 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 107.988 -1.116 . . . . 99.99 107.988 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.43 HD23 HD11 ' D' ' 60' ' ' LEU . 5.5 mp -104.48 174.93 5.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.527 0.731 . . . . 66.01 110.226 -176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -152.43 156.31 39.24 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 125.314 1.446 . . . . 79.72 107.86 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.8 t -103.13 147.17 27.34 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.415 -0.587 . . . . 77.52 109.415 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.27 143.28 26.85 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.216 -1.031 . . . . 38.8 108.216 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 61.2 p -174.76 164.59 3.58 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.07 0.462 . . . . 48.36 111.677 -170.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -161.17 136.23 7.55 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.786 -1.097 . . . . 52.73 108.793 171.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.74 118.09 21.22 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 108.729 -0.841 . . . . 99.71 108.729 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.11 32.33 4.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.039 0.935 . . . . 82.32 109.109 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . 175.48 165.2 0.33 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.039 1.736 . . . . 96.95 108.82 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.76 141.69 29.68 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.1 -1.074 . . . . 99.99 108.1 170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . 5.5 m-20 68.42 -2.33 1.63 Allowed 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.209 1.004 . . . . 99.99 112.133 -175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 47.8 t -145.68 136.45 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.538 -1.653 . . . . 82.8 106.538 -170.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' D' ' 58' ' ' VAL . 0.3 OUTLIER -150.67 172.73 15.08 Favored 'General case' 0 C--O 1.249 1.071 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 171.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -88.78 123.82 33.56 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.204 -0.907 . . . . 55.89 109.116 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' D' ' 56' ' ' TYR . 21.5 t -100.05 127.25 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.584 -1.265 . . . . 44.56 107.584 174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.514 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 44.8 t -125.71 108.56 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.658 -0.868 . . . . 19.48 108.658 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.43 HD11 HD23 ' D' ' 44' ' ' LEU . 54.3 tp -85.91 109.89 19.05 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.737 -0.838 . . . . 52.2 108.737 174.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -89.93 96.03 10.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.924 -1.035 . . . . 99.99 108.713 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.59 129.25 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 108.14 -1.059 . . . . 9.25 108.14 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 6.7 m -126.66 136.86 53.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.915 0.864 . . . . 10.79 110.419 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 89.5 t -123.45 117.52 51.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 125.697 1.599 . . . . 9.72 108.421 -170.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 43.9 m -116.81 101.69 8.76 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.901 -0.777 . . . . 19.36 108.901 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.99 148.15 31.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.905 0.882 . . . . 11.33 109.139 -170.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.501 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.2 m -149.75 134.47 17.69 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.606 0.566 . . . . 29.87 111.436 -172.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 41.6 mt -91.41 96.52 10.56 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.238 -1.393 . . . . 24.97 107.238 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.02 -125.52 7.24 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 114.824 -1.08 . . . . 27.84 111.905 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.27 2.21 56.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.156 0.983 . . . . 76.3 111.866 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.98 137.95 48.09 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.346 0.658 . . . . 81.89 110.095 -168.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 97.3 m -58.77 127.47 32.33 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.664 1.186 . . . . 11.35 112.218 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.501 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.63 -60.95 1.87 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.185 -1.37 . . . . 10.67 108.324 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -150.8 164.14 36.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.588 -1.187 . . . . 7.73 110.69 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.7 152.23 42.29 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.321 1.448 . . . . 11.05 107.215 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.508 ' HB3' ' HB ' ' D' ' 64' ' ' VAL . 45.6 t -157.55 145.74 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.112 -0.699 . . . . 12.97 109.112 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -154.46 124.79 6.89 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.315 -0.624 . . . . 47.96 109.315 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -123.78 112.73 34.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.701 -0.852 . . . . 5.05 108.701 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.0 mt-30 -89.79 84.3 6.26 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.375 -0.972 . . . . 21.68 108.375 173.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.462 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.0 tp-100 -79.83 105.33 11.05 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 113.495 -1.684 . . . . 8.01 107.978 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -106.75 171.1 16.7 Favored Glycine 0 C--N 1.338 0.665 0 O-C-N 123.299 0.374 . . . . 11.29 112.885 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.01 156.24 19.98 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-O 120.064 -0.298 . . . . 22.6 112.467 175.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.78 117.76 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.916 -1.142 . . . . 43.57 107.916 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -120.66 130.69 54.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.914 0.886 . . . . 45.01 108.639 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 51.2 p -97.37 111.92 23.97 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.417 0.687 . . . . 77.58 109.22 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.93 102.76 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 107.875 -1.157 . . . . 88.57 107.875 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' D' ' 54' ' ' ASP . . . -129.38 168.44 16.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.383 0.673 . . . . 99.99 110.574 -173.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . 0.493 ' HA2' ' HB ' ' D' ' 7' ' ' THR . . . 83.81 24.6 48.87 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.681 0.613 . . . . 99.99 113.26 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' D' ' 3' ' ' GLU . 8.8 pt -140.56 161.76 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.113 0.965 . . . . 99.99 109.861 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.29 175.48 13.04 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.693 0.397 . . . . 99.99 111.284 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.64 -143.73 28.32 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.939 0.781 . . . . 99.99 113.768 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 45.0 m -91.83 -44.89 8.69 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.78 0.832 . . . . 99.99 110.53 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.7 ' HG3' ' HG3' ' D' ' 3' ' ' GLU . 26.7 tp60 -58.02 -27.79 63.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.859 1.263 . . . . 99.99 112.065 -173.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' D' ' 95' ' ' ALA . 16.7 ptt? -52.53 -48.36 66.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.074 0.95 . . . . 99.99 112.29 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.492 ' N ' ' HG3' ' D' ' 94' ' ' MET . . . -83.75 -10.56 58.03 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.566 -0.743 . . . . 88.9 112.188 -167.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -63.92 -44.04 94.11 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.797 0.439 . . . . 99.99 110.958 172.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.34 -46.88 81.53 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.255 0.622 . . . . 95.17 111.796 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.682 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 3.0 pp -79.61 -17.22 54.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.617 0.367 . . . . 99.99 111.774 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.22 12.92 65.13 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 123.474 0.484 . . . . 66.02 112.757 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.59 -63.95 0.47 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.695 . . . . 54.11 110.232 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -67.89 -42.99 80.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.012 0.925 . . . . 40.76 112.908 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 61.6 m -63.63 -41.37 65.27 Favored Pre-proline 0 N--CA 1.492 1.643 0 CA-C-O 119.213 -0.423 . . . . 34.31 111.891 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.78 -31.57 91.96 Favored 'Trans proline' 0 C--N 1.385 2.492 0 C-N-CA 122.156 1.904 . . . . 28.69 114.621 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.471 HD21 ' HA ' ' D' ' 132' ' ' ASN . 12.6 m120 -63.91 -29.54 70.7 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 118.137 0.426 . . . . 61.29 111.521 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.657 HG21 HD13 ' D' ' 13' ' ' ILE . 13.1 mm -65.72 -43.27 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 O-C-N 123.988 0.805 . . . . 19.65 109.5 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.462 HD13 ' O ' ' D' ' 80' ' ' GLN . 86.3 mt -69.58 -25.01 63.78 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.445 -0.798 . . . . 13.09 112.049 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.01 -43.2 66.8 Favored Pre-proline 0 CA--C 1.568 1.651 0 N-CA-C 114.528 1.307 . . . . 10.47 114.528 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.674 2.249 . . . . 6.22 113.92 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -73.17 -32.1 64.65 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.159 0.584 . . . . 10.48 111.321 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.37 76.13 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.17 0.588 . . . . 4.16 110.18 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 35.6 ttp180 -60.94 -45.81 93.21 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.377 -1.283 . . . . 10.22 110.374 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.61 -44.59 85.59 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.193 0.997 . . . . 32.24 110.533 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.57 -45.75 91.47 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.723 -0.671 . . . . 3.39 111.366 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.426 HG12 ' SG ' ' D' ' 76' ' ' CYS . 85.6 mt -60.58 -53.17 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.466 0.706 . . . . 5.37 110.511 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 96.1 m -51.2 -46.69 62.26 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.051 1.341 . . . . 7.06 111.413 -172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 32.8 t -66.76 -41.62 87.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.228 -1.351 . . . . 6.71 110.683 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -68.72 -34.43 75.61 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.169 0.587 . . . . 5.08 111.935 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.8 t -63.49 -44.42 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.475 -0.784 . . . . 5.65 110.526 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.5 p -70.28 -28.85 65.53 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.845 -0.616 . . . . 10.21 110.97 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' D' ' 116' ' ' SER . 80.1 mtt-85 -71.06 -26.78 63.22 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 6.99 111.062 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.64 9.14 62.99 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 123.375 0.422 . . . . 7.43 113.024 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' C' ' 17' ' ' TYR . 2.6 m 66.07 14.22 9.5 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.294 1.438 . . . . 18.26 111.595 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -90.05 146.51 35.17 Favored Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 108.718 -0.845 . . . . 10.7 108.718 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' D' ' 37' ' ' GLN . 75.0 Cg_exo -55.23 137.53 77.16 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.064 2.509 . . . . 20.06 112.967 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -41.74 123.69 2.34 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 125.104 1.502 . . . . 16.85 111.755 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.483 HD13 HG21 ' D' ' 40' ' ' VAL . 40.8 tp -107.26 112.73 25.72 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.396 -0.594 . . . . 14.84 109.396 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.757 HD21 HD12 ' B' ' 16' ' ' ILE . 7.9 t-20 -110.3 100.79 9.6 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.05 -1.092 . . . . 76.73 108.05 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 5.0 mp -66.89 115.04 6.2 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 123.719 0.637 . . . . 20.32 110.31 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.449 ' HB3' HE21 ' E' ' 313' ' ' GLN . . . -58.54 129.59 84.39 Favored Pre-proline 0 CA--C 1.555 1.141 0 O-C-N 123.926 0.766 . . . . 28.37 110.129 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 21.2 Cg_exo -64.89 124.38 13.02 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.113 2.542 . . . . 32.68 113.335 -169.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.688 HG21 HG22 ' E' ' 121' ' ' VAL . 14.6 p -137.62 150.58 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.526 0.73 . . . . 69.78 110.935 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD21 ' D' ' 104' ' ' ASN . 52.9 t30 -103.28 114.51 28.85 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 168.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.59 ' HD2' HD21 ' E' ' 111' ' ' LEU . 7.6 p90 -75.49 -5.58 45.83 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.614 1.165 . . . . 99.99 113.112 -169.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -59.39 -44.85 92.72 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.775 0.43 . . . . 99.99 111.197 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.33 -29.6 68.38 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.145 0.978 . . . . 99.99 110.081 -176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' E' ' 113' ' ' LYS . 58.1 tp -68.56 -43.8 75.85 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.275 1.03 . . . . 99.99 110.523 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.69 -45.63 85.82 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.817 0.847 . . . . 99.99 110.406 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.435 ' HA ' HD23 ' D' ' 141' ' ' LEU . 76.2 mtm -74.35 -18.59 60.66 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.064 -0.971 . . . . 99.99 111.365 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.7 -24.26 59.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.442 0.697 . . . . 99.99 110.524 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.73 -22.41 66.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.522 0.329 . . . . 99.99 111.821 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 138' ' ' MET . 4.0 mm? -66.94 -44.98 79.22 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.248 0.619 . . . . 99.99 110.095 173.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -92.53 30.78 1.45 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.923 0.889 . . . . 99.99 111.785 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -118.16 100.07 7.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.248 0.619 . . . . 99.99 110.61 -167.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.09 95.03 3.03 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.56 69.66 0.7 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.687 1.195 . . . . 99.99 109.055 -166.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.96 -161.31 40.92 Favored Glycine 0 C--N 1.353 1.477 0 CA-C-N 115.45 -0.796 . . . . 99.99 111.506 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.69 83.55 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.112 -1.44 . . . . 99.99 107.112 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 74.87 -21.57 1.6 Allowed Glycine 0 CA--C 1.541 1.669 0 N-CA-C 115.355 0.902 . . . . 99.99 115.355 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 12.8 t -79.06 -33.82 44.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.932 0.893 . . . . 99.99 111.35 -172.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.51 154.06 28.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.902 0.881 . . . . 99.99 110.019 -173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.08 -177.21 5.69 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.619 1.167 . . . . 99.99 108.243 167.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 69.34 116.9 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.275 1.03 . . . . 99.99 111.518 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.37 174.44 8.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.297 0.639 . . . . 99.99 111.305 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.49 81.05 0.57 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.25 0.62 . . . . 99.99 109.365 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.418 -0.81 . . . . 99.99 109.397 -178.264 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.472 ' HG2' ' HD3' ' E' ' 304' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.724 -0.473 . . . . 99.99 109.724 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -114.45 98.29 6.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.405 1.082 . . . . 99.99 109.101 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -128.63 120.82 27.32 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.155 0.582 . . . . 99.99 109.612 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 72.1 p -90.16 28.65 1.37 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.639 0.776 . . . . 99.99 111.804 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 17.7 m -142.68 22.36 1.97 Allowed 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.854 0.862 . . . . 99.99 109.196 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tp -137.77 150.43 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.465 -0.772 . . . . 99.99 111.319 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' HB2' ' B' ' 42' ' ' LEU . . . -85.34 -149.06 0.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.421 1.088 . . . . 99.99 109.949 172.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 131' ' ' VAL . 3.2 mm? 65.19 26.96 12.33 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 124.179 0.991 . . . . 99.99 110.476 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.46 45.57 1.29 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.367 1.067 . . . . 99.99 111.624 -172.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp 65.06 153.04 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.563 1.545 . . . . 99.99 112.36 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.568 HD11 HD22 ' B' ' 44' ' ' LEU . 2.5 mm? -118.78 151.64 50.38 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.532 0.733 . . . . 99.99 109.829 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.81 -78.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.195 2.597 . . . . 99.99 114.175 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' B' ' 95' ' ' ALA . 38.9 tp -138.96 -30.12 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.497 0.719 . . . . 99.99 110.357 -173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.423 HD11 ' CB ' ' E' ' 11' ' ' LEU . 2.2 mp 58.86 -83.85 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.953 1.701 . . . . 99.99 112.458 176.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.76 143.18 50.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.205 1.002 . . . . 99.99 108.561 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.456 ' H ' ' HD3' ' E' ' 17' ' ' PRO . 11.5 p -125.96 -46.99 0.04 OUTLIER Pre-proline 0 CA--C 1.573 1.832 0 N-CA-C 114.323 1.231 . . . . 99.99 114.323 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' E' ' 16' ' ' THR . 5.1 Cg_exo -77.0 100.86 1.45 Allowed 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-N 121.984 1.744 . . . . 99.99 111.483 -172.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.551 HG22 ' O ' ' B' ' 86' ' ' ILE . 6.5 p -170.46 114.84 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 123.421 0.688 . . . . 99.99 110.217 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 87' ' ' ALA . 54.0 p -124.38 -103.25 0.37 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.189 -1.862 . . . . 99.99 110.433 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -29.88 97.33 0.01 OUTLIER 'General case' 0 N--CA 1.526 3.353 0 C-N-CA 125.598 1.559 . . . . 99.99 113.436 -168.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.23 34.79 1.11 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.965 1.098 . . . . 99.99 113.965 -162.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -157.11 130.82 8.12 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.442 -0.577 . . . . 99.99 109.442 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 38.7 m -82.07 115.03 55.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.446 0.698 . . . . 99.99 109.267 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.72 167.42 26.39 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.659 2.239 . . . . 99.99 111.818 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 66.64 19.34 10.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.714 1.206 . . . . 99.99 111.767 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 65.01 112.84 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.581 1.552 . . . . 99.99 112.632 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' E' ' 408' ' ' LEU . 73.4 Cg_endo -74.65 -169.64 0.64 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.792 2.328 . . . . 99.99 111.783 170.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' E' ' 408' ' ' LEU . 12.7 m -65.72 82.32 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 CA-C-O 122.384 1.088 . . . . 99.99 111.481 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -125.44 -58.63 1.42 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.473 1.109 . . . . 99.99 108.117 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' E' ' 32' ' ' ARG . 15.7 pt-20 -89.87 147.33 23.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.678 -1.146 . . . . 99.99 110.334 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -85.55 68.41 10.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.831 0.852 . . . . 99.99 109.065 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . 0.46 ' HB2' ' HG3' ' E' ' 30' ' ' GLU . 15.2 ttt180 -90.38 41.35 1.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.422 1.089 . . . . 99.99 109.649 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.25 77.27 2.37 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.057 0.943 . . . . 99.99 109.703 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.28 -50.94 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.826 1.25 . . . . 99.99 108.63 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -148.02 144.44 27.94 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.122 0.969 . . . . 99.99 109.825 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.12 93.71 0.97 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 110.722 -0.951 . . . . 99.99 110.722 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -74.76 141.93 44.36 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.417 -0.957 . . . . 99.99 108.417 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.12 78.66 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-O 121.322 0.582 . . . . 99.99 110.303 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t 49.42 20.94 0.51 Allowed 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 126.82 2.048 . . . . 99.99 115.928 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 -46.07 2.06 Favored Pre-proline 0 CA--C 1.566 1.579 0 N-CA-C 112.325 0.491 . . . . 99.99 112.325 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -104.02 -147.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.51 2.806 . . . . 99.99 111.659 175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.18 -41.44 2.14 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.818 -0.513 . . . . 99.99 111.818 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.36 75.87 0.44 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 110.946 -0.862 . . . . 99.99 110.946 -175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.3 7.37 4.37 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.984 0.914 . . . . 99.99 113.147 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 70.32 -71.16 0.13 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.514 1.526 . . . . 99.99 111.105 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 77.21 -33.16 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.45 1.5 . . . . 99.99 113.476 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.42 125.16 20.76 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.886 0.874 . . . . 99.99 108.732 165.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 3.6 t 53.52 20.85 2.23 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 126.006 1.722 . . . . 99.99 113.263 -172.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.73 44.19 1.06 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.982 -0.847 . . . . 99.99 110.982 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 160.59 25.34 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.751 0.821 . . . . 99.99 110.807 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -61.28 -30.97 70.8 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.775 0.83 . . . . 99.99 111.154 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -66.73 -42.44 86.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.765 0.826 . . . . 99.99 110.544 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.31 68.77 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.393 -0.821 . . . . 99.99 111.364 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.94 82.51 0.11 Allowed 'General case' 0 C--N 1.36 1.045 0 O-C-N 124.599 1.187 . . . . 99.99 110.034 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.73 1.14 0.92 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.824 1.416 . . . . 99.99 114.824 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 72.47 167.23 0.31 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.337 1.455 . . . . 99.99 111.837 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.69 -72.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.206 -1.035 . . . . 99.99 108.206 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -152.85 -63.37 0.16 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.803 -0.814 . . . . 99.99 108.803 175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.57 -172.88 3.48 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.393 0.677 . . . . 99.99 110.448 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 22.9 m -63.98 129.27 39.38 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.354 0.662 . . . . 99.99 110.219 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.76 95.89 1.55 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 141.48 26.26 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.459 1.504 . . . . 99.99 114.419 -171.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -84.16 1.82 8.53 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.137 2.558 . . . . 99.99 111.91 170.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' B' ' 8' ' ' GLU . . . -60.1 125.86 25.29 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.018 0.927 . . . . 99.99 110.191 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.587 ' HB2' HG23 ' B' ' 89' ' ' ILE . 0.0 OUTLIER -120.86 176.3 5.61 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.321 0.648 . . . . 99.99 110.756 -169.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 57.01 112.61 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.132 1.773 . . . . 99.99 112.713 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 11' ' ' PHE . 5.2 tt -55.01 112.69 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 C-N-CA 124.644 1.178 . . . . 99.99 112.629 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 tt -91.82 -34.78 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.123 0.569 . . . . 99.99 110.348 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.93 92.89 0.03 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.824 1.25 . . . . 99.99 110.962 -166.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 31.1 tp -150.78 134.18 16.29 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.26 -0.645 . . . . 99.99 109.26 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.95 -52.95 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.842 0.857 . . . . 99.99 109.607 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.28 -133.1 2.5 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.559 -1.416 . . . . 99.99 109.559 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.64 150.81 0.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.495 1.118 . . . . 99.99 111.893 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.68 41.7 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.792 -0.64 . . . . 99.99 111.987 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.2 146.11 54.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.009 0.924 . . . . 99.99 110.556 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.74 105.42 0.66 Allowed Glycine 0 C--N 1.352 1.465 0 N-CA-C 111.129 -0.788 . . . . 99.99 111.129 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.6 154.8 3.42 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.075 1.35 . . . . 99.99 112.601 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 41.4 m -62.76 -16.12 56.39 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.844 1.258 . . . . 99.99 113.744 -170.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.0 -15.88 57.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.636 1.174 . . . . 99.99 113.079 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.16 -53.02 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.053 0.541 . . . . 99.99 109.633 169.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.445 HG22 ' HB2' ' E' ' 83' ' ' ALA . 38.1 m 65.88 120.28 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.438 1.495 . . . . 99.99 111.722 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.02 -57.65 11.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.767 0.827 . . . . 99.99 110.408 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' N ' ' D' ' 1' ' ' MET . . . 50.16 100.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.544 1.537 . . . . 99.99 113.614 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -62.56 156.83 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.811 0.845 . . . . 99.99 111.516 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.39 -89.89 0.29 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.404 0.681 . . . . 99.99 109.895 -174.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 3.1 p90 179.2 173.48 0.79 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.148 1.779 . . . . 99.99 107.982 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' D' ' 8' ' ' GLU . . . -150.13 106.27 3.46 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.24 0.459 . . . . 99.99 112.24 -172.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.6 114.2 26.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.912 0.885 . . . . 99.99 109.768 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' E' ' 94' ' ' PHE . . . -65.8 -30.39 77.11 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 124.353 1.033 . . . . 99.99 113.693 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.61 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.99 1.316 . . . . 99.99 111.701 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.54 98.74 0.13 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.196 -0.762 . . . . 99.99 111.196 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 -64.43 4.29 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.361 -0.696 . . . . 99.99 111.361 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -108.16 160.36 15.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.629 0.772 . . . . 99.99 109.459 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' D' ' 87' ' ' ALA . 44.3 m-85 -100.33 -172.38 2.2 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.656 0.782 . . . . 99.99 110.44 -173.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 137.87 54.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.731 0.812 . . . . 99.99 111.415 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.6 -56.55 0.13 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.306 -0.861 . . . . 99.99 111.133 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' D' ' 54' ' ' ASP . 47.8 mt -88.07 144.92 8.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 124.195 0.998 . . . . 99.99 111.077 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -106.16 -71.37 0.75 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.708 0.803 . . . . 99.99 109.183 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.91 125.16 34.34 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 123.762 0.825 . . . . 99.99 109.679 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.31 49.87 0.73 Allowed Pre-proline 0 CA--C 1.57 1.741 0 N-CA-C 113.238 0.829 . . . . 99.99 113.238 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -90.41 5.41 4.33 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.077 1.851 . . . . 99.99 112.779 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt 64.08 98.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.4 1.48 . . . . 99.99 109.588 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 76.4 p 53.19 46.52 26.38 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.328 1.451 . . . . 99.99 112.773 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.66 -60.33 4.24 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.876 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . 0.42 ' HG2' ' HD2' ' E' ' 106' ' ' TYR . 62.5 tt0 175.48 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.934 1.293 . . . . 99.99 107.785 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . 0.42 ' HD2' ' HG2' ' E' ' 105' ' ' GLN . 82.3 m-85 65.36 151.55 0.05 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.575 1.15 . . . . 99.99 110.935 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -89.76 136.62 32.93 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.514 -0.741 . . . . 99.99 110.368 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -66.59 -26.4 67.08 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.717 0.807 . . . . 99.99 110.92 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -52.39 -48.54 65.57 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.876 0.735 . . . . 99.99 110.095 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 57.19 19.76 5.13 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 124.975 1.422 . . . . 99.99 111.327 -171.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' D' ' 133' ' ' PHE . 7.6 mp 52.28 33.46 12.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.851 1.66 . . . . 99.99 113.355 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.36 97.19 1.99 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.305 0.642 . . . . 99.99 110.704 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . 0.403 ' HD3' HD11 ' D' ' 136' ' ' LEU . 7.0 ttpm? -103.83 -18.99 14.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.177 0.991 . . . . 99.99 110.702 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 73.56 103.08 0.07 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.387 1.475 . . . . 99.99 109.863 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -63.88 101.67 0.4 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.92 0.888 . . . . 99.99 111.392 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.24 -44.46 0.04 OUTLIER Glycine 0 C--N 1.339 0.721 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.283 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 119.67 73.23 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.994 0.918 . . . . 99.99 109.455 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' E' ' 319' ' ' PRO . 6.4 Cg_exo -73.56 93.83 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.162 2.574 . . . . 99.99 110.063 172.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -133.2 -153.56 0.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 108.674 -0.862 . . . . 99.99 108.674 -170.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -62.88 130.51 45.14 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 118.608 0.64 . . . . 99.99 109.708 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.688 HG22 HG21 ' D' ' 131' ' ' VAL . 45.3 t 63.4 81.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 124.543 1.137 . . . . 99.99 110.145 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 90.5 m -142.57 106.93 4.77 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.217 -1.401 . . . . 99.99 107.217 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . 0.479 ' HA ' HE22 ' E' ' 313' ' ' GLN . 26.4 t70 -81.66 106.92 13.99 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.976 0.511 . . . . 99.99 110.633 -174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -144.35 68.52 1.26 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.184 -1.043 . . . . 99.99 108.184 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -152.99 175.0 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.868 -1.06 . . . . 99.99 110.763 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 62.27 50.86 3.66 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.375 1.07 . . . . 96.83 111.148 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -60.96 98.51 0.07 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.314 1.045 . . . . 99.99 111.792 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.424 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . . . -97.81 -170.74 2.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.084 0.954 . . . . 74.48 111.661 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.458 HG21 ' HA ' ' E' ' 471' ' ' LYS . 32.6 p -135.49 151.61 50.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.498 0.719 . . . . 99.99 112.064 -172.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 124' ' ' PRO . . . -154.03 -176.03 5.66 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.425 1.09 . . . . 99.99 110.11 173.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 59.54 -97.04 0.07 Allowed 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 124.894 1.278 . . . . 99.99 111.562 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.2 m 56.95 -77.94 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.26 1.424 . . . . 99.99 112.222 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 16.3 m -88.62 88.65 7.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.075 0.95 . . . . 99.99 110.075 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.94 158.07 53.47 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.314 -0.857 . . . . 89.58 111.937 171.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.488 HG12 HE22 ' C' ' 12' ' ' GLN . 16.0 t -101.03 126.69 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 109.377 -0.601 . . . . 99.99 109.377 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.25 5.51 0.47 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.911 0.884 . . . . 99.99 111.422 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 17.8 p -119.53 73.15 0.94 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.386 0.674 . . . . 99.99 110.835 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . 0.608 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 45.2 t80 -168.25 137.87 2.48 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.137 -0.938 . . . . 99.99 109.354 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -144.32 148.96 35.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 172.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.69 -167.37 33.56 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.241 0.338 . . . . 99.99 112.756 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' C' ' 11' ' ' PHE . . . -158.94 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.366 0.666 . . . . 99.99 110.737 171.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 45.8 tp -170.01 101.66 0.3 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.536 -0.913 . . . . 99.99 108.536 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.23 163.21 33.91 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 110.703 -0.959 . . . . 99.99 110.703 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.712 ' HB ' ' HB3' ' E' ' 448' ' ' ALA . 21.9 t -121.85 85.41 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -146.38 112.04 5.6 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 106.927 -1.509 . . . . 99.99 106.927 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . 0.579 HD12 ' HD2' ' E' ' 379' ' ' LYS . 13.0 pt -62.33 89.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.157 0 O-C-N 124.919 1.387 . . . . 99.99 112.857 -164.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.489 ' HE1' HG23 ' C' ' 89' ' ' ILE . 25.8 m170 -131.98 105.06 7.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.521 1.528 . . . . 99.99 108.635 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . 0.443 ' HA ' HD21 ' C' ' 5' ' ' ASN . 1.7 mp0 -70.05 -44.72 68.59 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 172.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.5 ' HG2' ' HB ' ' E' ' 435' ' ' THR . 3.8 mptt -139.37 126.81 21.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.683 0.793 . . . . 99.99 109.374 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -128.29 122.64 32.13 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.479 0.711 . . . . 99.99 109.749 168.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 5.9 t60 176.4 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.955 0 C-N-CA 124.755 1.222 . . . . 99.99 110.414 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.49 -8.76 19.76 Favored 'Trans proline' 0 C--N 1.402 3.391 0 C-N-CA 122.254 1.97 . . . . 99.99 112.26 -171.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 80.8 p -75.02 -47.93 26.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.43 1.492 . . . . 99.99 110.968 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 2.8 pp -82.51 -18.13 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.757 -0.656 . . . . 99.99 110.916 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.2 -40.35 67.92 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.258 1.023 . . . . 99.99 110.642 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.86 -41.34 91.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.993 0.517 . . . . 99.99 111.826 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 16.5 tpt -173.89 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.459 -1.312 . . . . 99.99 107.459 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 166.32 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.92 1.688 . . . . 99.99 109.424 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' E' ' 160' ' ' ALA . 0.0 OUTLIER -61.93 -36.45 81.4 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.105 0.962 . . . . 99.99 113.249 -172.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' E' ' 159' ' ' LYS . . . -81.96 -25.58 34.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.564 0.346 . . . . 99.99 110.58 -177.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.34 83.81 0.38 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.532 0.733 . . . . 99.99 110.974 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' E' ' 440' ' ' ARG . . . 78.49 -81.64 1.34 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.547 -0.752 . . . . 99.99 113.888 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 60.13 -80.89 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.175 1.39 . . . . 99.99 110.339 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 57.96 -91.89 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.344 1.458 . . . . 99.99 110.865 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 4.2 m 51.1 33.91 10.06 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.54 1.136 . . . . 99.99 111.33 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -124.2 16.81 7.6 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.269 -0.878 . . . . 99.99 112.703 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -76.42 94.95 3.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.441 0.697 . . . . 99.99 109.361 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 63.3 t -77.77 -59.24 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.594 0.757 . . . . 99.99 110.746 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.3 p -67.45 110.53 3.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.8 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 65.6 m -139.19 106.73 5.57 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.292 1.037 . . . . 99.99 108.682 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -140.34 176.78 8.49 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.931 0.892 . . . . 99.99 110.02 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -78.76 83.43 4.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.553 0.741 . . . . 99.99 109.956 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.43 -18.26 65.03 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.076 0.95 . . . . 99.99 111.286 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -79.86 158.77 26.65 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.378 0.671 . . . . 99.99 110.33 172.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -160.06 -70.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.356 1.062 . . . . 99.99 108.445 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 57.26 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.345 1.458 . . . . 99.99 110.768 -172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 121.29 81.07 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 124.076 0.951 . . . . 99.99 109.497 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -42.93 -51.52 5.38 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 124.963 3.775 . . . . 99.99 116.217 -169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -163.36 81.26 0.46 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.023 -0.732 . . . . 99.99 109.023 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 66.14 5.47 3.61 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.481 1.113 . . . . 99.99 113.318 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.44 118.83 30.23 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.237 -0.653 . . . . 99.99 109.237 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.74 144.51 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.073 0.549 . . . . 99.99 110.308 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.84 104.15 1.03 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.68 0.792 . . . . 99.99 109.292 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 81.5 t60 64.92 114.2 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.885 1.274 . . . . 99.99 111.177 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . 0.445 HG22 ' H ' ' E' ' 187' ' ' SER . 13.1 p -85.02 150.11 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 123.75 0.82 . . . . 99.99 109.125 174.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 27.4 m -71.3 -37.27 71.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.963 0.505 . . . . 99.99 109.658 176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . 0.445 ' H ' HG22 ' E' ' 185' ' ' VAL . 88.2 p 55.06 20.03 3.06 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.035 1.734 . . . . 99.99 113.342 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 58.72 -78.87 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.234 1.414 . . . . 99.99 111.747 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 66.16 106.89 0.04 OUTLIER 'General case' 0 C--N 1.361 1.074 0 C-N-CA 125.545 1.538 . . . . 99.99 110.987 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 70.8 m -140.27 138.51 35.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.557 0.743 . . . . 99.99 109.779 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -113.78 118.56 34.63 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.607 0.763 . . . . 99.99 109.116 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.44 65.77 2.61 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.039 -0.867 . . . . 99.99 112.414 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.36 94.17 0.2 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.933 2.422 . . . . 99.99 112.438 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 40.9 m 63.52 18.52 11.13 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.885 1.274 . . . . 99.99 112.228 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -85.83 -76.04 0.35 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.502 0.721 . . . . 99.99 109.852 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 26.9 m 73.09 -28.0 0.19 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.627 1.343 . . . . 99.99 114.627 168.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 17.0 m 60.01 47.06 10.16 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.404 1.082 . . . . 99.99 109.249 -165.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.25 64.98 8.59 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.556 -0.747 . . . . 99.99 110.78 -175.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -154.18 133.06 12.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.563 1.545 . . . . 99.99 107.02 171.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.32 -45.5 90.05 Favored Pre-proline 0 CA--C 1.556 1.203 0 O-C-N 123.713 0.633 . . . . 99.99 110.725 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -81.25 107.07 1.81 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 120.283 1.137 . . . . 99.99 109.895 161.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -82.4 57.91 4.99 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 116.179 -0.464 . . . . 99.99 113.185 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.44 72.54 0.52 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.064 1.346 . . . . 99.99 111.684 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -17.86 54.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.478 0.711 . . . . 99.99 111.221 173.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 3.7 pp 43.53 35.29 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 126.453 1.901 . . . . 99.99 113.366 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 54.49 53.41 10.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 125.772 1.629 . . . . 99.99 111.163 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 77.9 -49.19 0.49 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.506 1.522 . . . . 99.99 112.714 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.43 -12.41 2.25 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.342 -0.703 . . . . 99.99 111.342 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 78.17 156.5 8.94 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 111.85 -0.5 . . . . 99.99 111.85 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -70.01 -29.54 66.63 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.127 0.463 . . . . 99.99 111.014 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 84.74 24.7 44.74 Favored Glycine 0 C--N 1.342 0.9 0 N-CA-C 110.499 -1.04 . . . . 99.99 110.499 -169.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 40.4 p -81.27 176.06 10.07 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.758 0.823 . . . . 99.99 111.944 -172.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 15.8 pt -56.91 142.74 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.426 -1.261 . . . . 99.99 110.767 172.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' E' ' 217' ' ' LEU . 11.3 t 46.44 37.77 4.66 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.08 1.752 . . . . 99.99 113.849 175.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -61.02 1.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.995 -0.742 . . . . 99.99 108.995 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -90.76 -43.53 10.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' E' ' 214' ' ' THR . 0.7 OUTLIER 44.03 28.58 0.27 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 126.53 1.932 . . . . 99.99 113.786 -178.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 3.3 pp 42.6 26.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.632 1.973 . . . . 99.99 114.17 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -76.36 -29.28 57.15 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.18 0.592 . . . . 99.99 111.311 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.6 18.76 11.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.209 1.004 . . . . 99.99 111.825 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 52.98 51.84 15.03 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 124.968 1.307 . . . . 99.99 111.7 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 79.37 -39.26 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 126.025 1.73 . . . . 99.99 111.816 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 29.1 t70 69.56 128.57 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.88 1.672 . . . . 99.99 111.984 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 18.2 m -88.39 135.79 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 N-CA-C 109.47 -0.567 . . . . 99.99 109.47 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 94.47 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.629 0.772 . . . . 99.99 111.426 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 94.5 mt 60.35 26.34 15.87 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.773 1.229 . . . . 99.99 112.195 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -78.71 79.28 1.57 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.979 -0.448 . . . . 99.99 111.979 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -124.66 -73.53 0.23 Allowed Glycine 0 C--N 1.343 0.92 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 109.23 123.04 4.66 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 112.562 -0.215 . . . . 99.99 112.562 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -146.66 108.01 4.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.331 1.053 . . . . 99.99 108.571 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -116.39 105.98 13.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.707 0.803 . . . . 99.99 110.154 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 32.0 m -69.9 113.87 7.54 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.09 -42.68 37.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.528 0.731 . . . . 99.99 111.275 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.05 68.18 0.9 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.729 1.212 . . . . 99.99 110.277 -170.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -96.12 -73.33 0.6 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.485 -0.78 . . . . 99.99 111.658 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 44.1 p -70.23 -37.63 75.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.302 0.641 . . . . 99.99 111.821 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.44 -89.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.055 1.342 . . . . 99.99 111.864 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 19.2 p -156.09 -51.65 0.08 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.592 1.157 . . . . 99.99 108.871 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 60.55 87.18 0.09 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.093 1.357 . . . . 99.99 109.961 -172.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -84.03 58.36 5.01 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.878 -0.601 . . . . 99.99 112.793 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.27 -164.04 0.17 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.794 1.238 . . . . 99.99 112.946 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 17.9 m-90 -91.03 -70.14 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.234 0.614 . . . . 99.99 109.632 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -150.27 -173.76 4.54 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 99.99 111.003 -176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 77.64 35.05 37.45 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 116.332 -0.394 . . . . 99.99 113.161 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -95.86 51.65 1.27 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.858 0.863 . . . . 99.99 111.257 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' E' ' 249' ' ' GLU . 57.1 m 55.92 -87.46 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.676 1.59 . . . . 99.99 113.946 169.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 34.8 tp -68.88 -16.92 63.89 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.012 0.925 . . . . 99.99 111.561 -169.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -64.53 -11.29 32.65 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 115.059 1.503 . . . . 99.99 115.059 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' E' ' 246' ' ' THR . 69.3 mt-10 -44.28 -40.45 5.24 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 115.049 1.5 . . . . 99.99 115.049 -160.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.72 -44.97 69.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.863 0.465 . . . . 99.99 109.982 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.67 32.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.85 0.86 . . . . 99.99 112.833 -175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' E' ' 249' ' ' GLU . 11.9 pt20 -83.95 -42.68 16.02 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.715 0.406 . . . . 99.99 110.699 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.85 10.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.344 0.658 . . . . 99.99 111.079 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 60.44 91.5 0.05 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.61 1.164 . . . . 99.99 110.742 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -77.77 62.37 3.57 Favored Glycine 0 C--N 1.355 1.589 0 O-C-N 123.677 0.611 . . . . 99.99 113.355 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -173.52 166.23 4.64 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.576 1.551 . . . . 99.99 107.39 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.43 -62.78 1.33 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.764 0.426 . . . . 99.99 111.705 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 62.29 115.94 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 124.025 0.93 . . . . 99.99 110.207 -169.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 97.4 t 67.53 -76.04 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.873 1.269 . . . . 99.99 109.682 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . 0.437 ' HB3' HD22 ' C' ' 141' ' ' LEU . 39.9 t -154.25 -50.46 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.904 0.481 . . . . 99.99 110.385 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 5.5 t70 52.56 96.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.076 1.351 . . . . 99.99 111.655 -175.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' C' ' 141' ' ' LEU . . . -76.31 -8.71 57.67 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.676 0.621 . . . . 99.99 112.676 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.78 23.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.093 0.557 . . . . 99.99 110.292 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 22.2 m -109.28 117.21 33.49 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.53 0.732 . . . . 99.99 110.596 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' C' ' 92' ' ' THR . 4.2 pp -72.64 -28.56 62.82 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.714 0.406 . . . . 99.99 110.464 172.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.361 1.464 . . . . 99.99 109.955 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.0 m -129.34 -48.1 1.19 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.601 0.76 . . . . 99.99 110.634 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . 0.655 HG11 ' HA ' ' E' ' 280' ' ' LEU . 45.7 t 58.98 86.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.934 1.294 . . . . 99.99 110.595 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . 0.522 HG22 ' HB3' ' E' ' 274' ' ' GLN . 33.5 p -137.04 42.44 2.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.448 1.099 . . . . 99.99 109.558 -175.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.67 -164.75 0.53 Allowed 'General case' 0 CA--C 1.566 1.586 0 C-N-CA 123.544 0.738 . . . . 99.99 112.226 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -66.6 -29.52 69.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.54 1.136 . . . . 99.99 113.775 -165.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -91.1 13.29 17.33 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.254 1.022 . . . . 99.99 109.82 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 83.55 163.28 0.12 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.676 1.591 . . . . 99.99 114.408 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . 0.522 ' HB3' HG22 ' E' ' 269' ' ' THR . 0.1 OUTLIER -84.44 30.5 0.54 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.331 -2.213 . . . . 99.99 112.827 -173.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.406 ' HG3' ' OG ' ' C' ' 48' ' ' SER . 73.2 mmtt -36.92 130.71 0.72 Allowed Pre-proline 0 N--CA 1.496 1.856 0 C-N-CA 125.803 1.641 . . . . 99.99 114.403 -153.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -20.58 -81.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.786 1 C-N-CA 126.777 4.985 . . . . 99.99 117.69 -160.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.3 -16.88 23.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 122.561 0.345 . . . . 99.99 110.36 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.537 HD23 ' H ' ' E' ' 278' ' ' LEU . 0.4 OUTLIER -109.14 45.75 1.03 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.545 1.138 . . . . 99.99 110.233 -168.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -75.8 75.26 1.49 Allowed Glycine 0 C--N 1.35 1.319 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.949 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.655 ' HA ' HG11 ' E' ' 268' ' ' VAL . 50.1 tp -165.53 -45.85 0.03 OUTLIER 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.554 1.141 . . . . 99.99 108.279 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.446 ' HZ ' ' HG3' ' C' ' 103' ' ' PRO . 8.0 m-85 -74.43 82.34 1.94 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.876 0.846 . . . . 99.99 109.313 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -143.5 -78.83 0.21 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.912 -1.494 . . . . 99.99 108.184 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.99 36.59 4.61 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.462 0.705 . . . . 99.99 109.662 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -71.04 83.66 0.41 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.153 -0.93 . . . . 99.99 111.07 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' C' ' 44' ' ' LEU . 18.1 m120 -104.58 97.02 6.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.17 0.988 . . . . 99.99 109.717 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.21 117.1 67.91 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.769 -0.826 . . . . 99.99 108.769 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -63.27 -54.94 0.86 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.342 2.028 . . . . 99.99 111.472 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.604 HG22 HD21 ' C' ' 136' ' ' LEU . 30.1 t 63.71 -70.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 125.496 1.518 . . . . 99.99 112.16 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.448 ' HA ' ' H ' ' C' ' 42' ' ' LEU . 19.5 ttt85 71.19 -79.33 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.916 1.686 . . . . 99.99 109.852 -178.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.627 ' HE1' ' HB ' ' C' ' 40' ' ' VAL . 56.7 m95 -154.67 153.39 31.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.71 0.804 . . . . 99.99 110.869 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.35 5.19 37.1 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 114.696 -1.138 . . . . 99.99 109.105 169.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' E' ' 293' ' ' PRO . . . -162.41 122.09 1.08 Allowed Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.517 -1.157 . . . . 99.99 110.789 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . 0.422 ' HD3' ' HA2' ' E' ' 292' ' ' GLY . 8.8 Cg_exo -71.6 95.01 0.69 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.203 2.602 . . . . 99.99 111.509 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -116.41 122.2 44.13 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.512 0.725 . . . . 99.99 109.246 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -72.55 125.65 27.95 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.708 0.803 . . . . 99.99 110.081 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 26.9 m -90.51 160.12 16.15 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.939 0.896 . . . . 99.99 110.378 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.65 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.5 m-30 75.07 124.69 0.04 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.547 1.539 . . . . 99.99 112.28 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -169.52 -73.54 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 106.153 -1.795 . . . . 99.99 106.153 176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 56.39 -148.6 29.51 Favored Glycine 0 C--N 1.356 1.685 0 O-C-N 124.492 1.12 . . . . 99.99 114.555 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -168.77 76.69 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.479 1.512 . . . . 99.99 107.225 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.31 83.91 2.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 CA-C-N 114.915 -1.039 . . . . 99.99 108.48 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -172.05 83.6 0.07 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.822 -1.081 . . . . 99.99 109.001 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' E' ' 303' ' ' LYS . 0.1 OUTLIER 178.44 157.5 0.59 Allowed Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 124.439 1.095 . . . . 99.99 110.383 177.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.472 ' HD3' ' HG2' ' E' ' 1' ' ' MET . 4.2 Cg_exo -75.15 -175.79 2.57 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 123.059 2.506 . . . . 99.99 112.804 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.54 -162.69 1.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.209 -0.905 . . . . 99.99 109.857 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.48 163.44 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.585 0.754 . . . . 99.99 112.78 -168.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . 0.518 HG21 ' HB3' ' B' ' 134' ' ' ASP . 5.9 t -120.44 124.77 46.28 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.178 -0.919 . . . . 99.99 108.594 169.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 89.2 m -149.38 138.29 21.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 123.444 0.697 . . . . 99.99 109.178 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 3.4 t -134.73 74.97 63.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.095 0.958 . . . . 99.99 108.477 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.91 176.36 10.22 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.133 2.555 . . . . 99.99 113.188 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.409 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 20.2 t-20 -179.28 -50.36 0.0 OUTLIER Pre-proline 0 CA--C 1.565 1.537 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.762 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 68.3 Cg_endo -69.48 102.39 0.98 Allowed 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 122.363 2.042 . . . . 99.99 111.978 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . 0.479 HE22 ' HA ' ' E' ' 123' ' ' ASP . 14.1 tm0? -148.51 143.57 26.76 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 114.61 -1.177 . . . . 99.99 107.935 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.446 ' HA ' ' OG ' ' E' ' 317' ' ' SER . 2.1 tmm_? 62.79 67.43 0.7 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.598 1.159 . . . . 99.99 108.413 -176.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.98 66.46 8.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 107.365 -1.346 . . . . 99.99 107.365 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 62.23 15.51 7.6 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 114.166 -1.379 . . . . 99.99 112.467 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' E' ' 314' ' ' ARG . 72.8 p -76.89 105.12 7.77 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 121.318 0.58 . . . . 99.99 110.02 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 98.6 t -110.96 141.06 23.4 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.804 1.242 . . . . 99.99 108.959 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' E' ' 118' ' ' PRO . 8.3 Cg_endo -49.86 117.69 3.24 Favored 'Trans proline' 0 C--N 1.392 2.841 0 C-N-CA 123.229 2.619 . . . . 99.99 111.519 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.7 m -75.78 -33.59 60.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.445 1.098 . . . . 99.99 111.931 -167.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' D' ' 39' ' ' GLU . 40.0 mt 61.1 81.59 0.19 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.845 1.258 . . . . 99.99 109.668 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -67.74 -5.93 18.52 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -78.25 -38.3 43.18 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.554 0.742 . . . . 99.99 110.332 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' E' ' 321' ' ' LEU . 4.3 ppp? -61.27 -29.73 70.03 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.854 0.461 . . . . 99.99 111.54 -171.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.0 p -70.98 113.8 8.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.47 0.708 . . . . 99.99 109.653 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -65.95 123.37 19.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.636 0.774 . . . . 99.99 110.01 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -144.04 -177.73 5.59 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.049 0.939 . . . . 99.99 110.38 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' E' ' 331' ' ' LEU . . . -58.84 -13.26 5.76 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.044 1.338 . . . . 99.99 112.844 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 31.4 pt -55.57 -41.21 63.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.354 1.062 . . . . 99.99 111.879 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.63 -35.89 16.58 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.534 0.734 . . . . 99.99 109.932 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.596 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 3.9 mm? -73.7 4.29 5.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.061 -0.972 . . . . 99.99 111.891 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.0 -57.89 5.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.259 -1.015 . . . . 99.99 108.259 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 25.2 p -77.74 97.11 5.07 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.059 -0.973 . . . . 99.99 110.505 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -121.14 -58.26 1.81 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.05 0.94 . . . . 99.99 109.834 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -70.65 167.51 18.47 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.383 -0.826 . . . . 99.99 110.679 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.54 90.03 0.11 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.329 0.651 . . . . 99.99 109.875 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 72.0 133.47 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.459 1.504 . . . . 99.99 110.172 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.64 37.53 2.08 Favored Glycine 0 N--CA 1.477 1.413 0 N-CA-C 113.743 0.257 . . . . 99.99 113.743 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.85 -177.99 4.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.284 1.434 . . . . 99.99 108.023 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -85.43 30.54 0.62 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.219 1.008 . . . . 99.99 112.21 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 73.95 -54.27 0.68 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 126.198 1.799 . . . . 99.99 110.226 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? 76.06 101.46 0.07 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.966 1.707 . . . . 99.99 108.949 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.95 110.95 34.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . 0.501 ' HG3' ' CE1' ' E' ' 434' ' ' HIS . 30.4 tt0 -74.47 113.37 11.62 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 123.435 0.459 . . . . 99.99 110.752 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -90.77 89.48 1.5 Allowed Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.539 -0.755 . . . . 99.99 111.244 173.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -89.63 -18.51 26.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.85 0.86 . . . . 99.99 111.686 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 20.6 t -81.84 17.3 1.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.976 0.91 . . . . 99.99 111.351 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 7.2 tp -68.69 132.96 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 124.061 0.945 . . . . 99.99 110.96 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.84 158.54 32.01 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.236 1.014 . . . . 99.99 109.941 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 83.13 -0.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.009 1.324 . . . . 99.99 112.273 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.55 93.86 3.08 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 106.74 -1.578 . . . . 99.99 106.74 169.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -115.94 130.57 56.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.755 . . . . 99.99 110.161 -174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -100.38 -23.54 14.73 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.365 0.666 . . . . 99.99 110.723 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -73.3 128.03 34.34 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.428 0.691 . . . . 99.99 111.17 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -166.5 -175.74 3.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.004 0.922 . . . . 99.99 110.333 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.643 ' H ' ' HD2' ' E' ' 357' ' ' PRO . 47.8 t-20 -130.68 -49.23 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 124.342 1.057 . . . . 99.99 109.209 174.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.643 ' HD2' ' H ' ' E' ' 356' ' ' ASN . 61.0 Cg_endo -72.03 91.65 0.73 Allowed 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 121.48 1.453 . . . . 99.99 112.056 170.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' E' ' 162' ' ' GLY . 20.5 t -141.91 -48.09 0.37 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.303 1.041 . . . . 99.99 108.5 173.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -86.69 52.72 4.48 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 115.496 -0.774 . . . . 99.99 111.307 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . 0.492 ' HG2' HG13 ' E' ' 361' ' ' ILE . 26.7 tt0 -87.22 135.16 33.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 99.99 110.143 -173.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.492 HG13 ' HG2' ' E' ' 360' ' ' GLN . 28.8 mt 61.69 73.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.102 1.361 . . . . 99.99 110.16 -176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -66.97 -55.14 17.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.979 -1.009 . . . . 99.99 111.835 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . 0.486 ' HG2' HG22 ' E' ' 364' ' ' THR . 0.0 OUTLIER -134.8 -34.7 0.89 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.835 0.854 . . . . 99.99 109.649 175.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . 0.486 HG22 ' HG2' ' E' ' 363' ' ' GLU . 13.1 t -163.54 160.68 23.4 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.223 0.609 . . . . 99.99 110.863 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' E' ' 369' ' ' GLU . 78.5 t -135.82 138.5 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.067 1.347 . . . . 99.99 107.898 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -113.2 173.94 6.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.672 0.789 . . . . 99.99 109.008 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -54.54 -32.61 58.57 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.733 0.813 . . . . 99.99 113.154 -168.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.23 -42.15 69.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.87 0.868 . . . . 99.99 110.928 -175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' E' ' 365' ' ' VAL . 10.4 tp10 -82.03 -22.27 36.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.227 0.611 . . . . 99.99 111.264 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.98 -14.45 6.45 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.532 1.133 . . . . 99.99 113.517 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 28.0 m -54.62 -21.08 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 C-N-CA 124.606 1.162 . . . . 99.99 113.284 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -56.13 -17.54 7.48 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.49 1.116 . . . . 99.99 113.302 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.57 -21.37 17.0 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.025 0.93 . . . . 99.99 113.488 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.45 -20.21 29.13 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.117 0.967 . . . . 99.99 113.432 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.82 -17.99 62.12 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.533 0.733 . . . . 99.99 112.317 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -58.05 -31.4 66.99 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.897 1.279 . . . . 99.99 111.474 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -63.13 -36.19 82.77 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.797 0.439 . . . . 99.99 110.756 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.52 59.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.826 0.851 . . . . 99.99 111.888 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' E' ' 379' ' ' LYS . 11.2 mmpt? -87.36 -3.22 59.02 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.124 0.569 . . . . 99.99 112.265 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -79.15 -173.62 3.7 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.262 0.625 . . . . 99.99 109.952 173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 74.5 -52.59 0.68 Allowed 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 125.278 1.431 . . . . 99.99 111.986 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -85.03 42.56 3.16 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 112.068 -0.413 . . . . 99.99 112.068 171.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -83.11 116.85 22.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.901 1.28 . . . . 99.99 110.334 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 12.9 t 40.56 58.98 2.23 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.093 1.757 . . . . 99.99 112.292 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.66 157.2 30.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 114.31 -1.314 . . . . 99.99 111.665 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.55 132.04 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 123.57 0.748 . . . . 99.99 110.459 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 9.3 tp -85.0 146.48 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 123.51 0.724 . . . . 99.99 110.14 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.1 124.85 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.428 1.091 . . . . 99.99 110.622 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . 0.541 ' HB ' ' HG3' ' C' ' 1' ' ' MET . 63.7 m -142.8 137.39 29.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.083 0.953 . . . . 99.99 108.552 174.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -65.85 126.85 29.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.341 0.656 . . . . 99.99 110.079 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.24 158.31 31.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.829 0.852 . . . . 99.99 109.73 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 68.66 -179.17 0.22 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.089 1.356 . . . . 99.99 111.016 -171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -115.54 159.1 21.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.421 0.689 . . . . 99.99 110.477 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -72.39 -17.8 61.78 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.842 0.857 . . . . 99.99 110.663 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -50.7 111.56 0.56 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.651 1.18 . . . . 99.99 111.928 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 29.4 p -145.63 -170.03 3.36 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.482 1.113 . . . . 99.99 109.192 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.24 115.49 5.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.32 0.581 . . . . 99.99 109.894 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.2 mm -85.36 -60.55 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.903 0.881 . . . . 99.99 109.06 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.74 125.49 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 CA-C-N 114.998 -1.001 . . . . 99.99 109.423 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.435 ' H ' ' HD2' ' E' ' 401' ' ' PRO . . . -165.42 -45.44 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.189 0.996 . . . . 99.99 111.055 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.435 ' HD2' ' H ' ' E' ' 400' ' ' ALA . 83.7 Cg_endo -80.95 136.76 10.61 Favored 'Trans proline' 0 C--N 1.391 2.785 0 C-N-CA 121.311 1.341 . . . . 99.99 112.213 169.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 57.13 30.61 18.59 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.962 1.305 . . . . 99.99 112.46 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 5.4 t -85.19 80.46 9.2 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.685 0.794 . . . . 99.99 111.002 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -156.33 -41.42 0.08 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.96 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.95 28.83 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 123.17 0.588 . . . . 99.99 111.074 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.99 174.84 11.07 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.952 2.435 . . . . 99.99 112.56 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 154.52 -158.03 27.96 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.749 -0.66 . . . . 99.99 111.901 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' E' ' 27' ' ' PRO . 63.3 tp -151.42 107.3 3.39 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 176.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 11.0 t -147.14 178.94 7.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.118 0.485 . . . . 99.99 110.382 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.25 129.87 34.71 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.478 1.111 . . . . 99.99 108.359 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -94.05 -83.82 0.33 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 122.935 0.494 . . . . 99.99 110.446 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 49.4 tp 41.68 -83.1 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.787 2.035 . . . . 99.99 113.682 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.61 -13.11 4.99 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.81 1.244 . . . . 99.99 112.036 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.1 m -74.66 77.5 2.03 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.054 0.942 . . . . 99.99 109.507 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 67.6 29.41 7.1 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 124.894 1.278 . . . . 99.99 113.757 165.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.07 -34.93 79.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.816 . . . . 99.99 110.724 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 101.57 -43.91 1.63 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.184 -0.916 . . . . 99.99 112.068 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.41 -79.25 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.097 1.359 . . . . 99.99 111.459 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 48.1 t 64.18 123.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 125.945 1.698 . . . . 99.99 112.766 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 53.8 ttp -138.33 141.7 39.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.15 -6.53 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.985 0.914 . . . . 99.99 113.231 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 47.0 ttp -58.42 -38.47 77.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.251 0.62 . . . . 99.99 110.741 174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 41.4 p -78.13 128.42 33.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.66 91.87 0.2 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.909 0.884 . . . . 99.99 111.387 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -86.31 77.77 1.99 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 115.466 -0.788 . . . . 99.99 111.586 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 67.53 83.0 0.17 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.91 1.284 . . . . 99.99 110.913 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 24.2 m -80.33 -49.12 11.95 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.53 -0.759 . . . . 99.99 109.814 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 73.63 -59.3 0.57 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.86 1.664 . . . . 99.99 113.489 171.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.26 -19.25 32.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.887 1.275 . . . . 99.99 114.362 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.05 -24.88 42.34 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.53 0.732 . . . . 99.99 112.099 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -72.65 -58.1 3.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.672 0.789 . . . . 99.99 110.423 171.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -83.27 -70.02 0.59 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.808 0.67 . . . . 99.99 112.808 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.7 -21.58 1.49 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.848 0.685 . . . . 99.99 112.848 -166.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . 0.501 ' CE1' ' HG3' ' E' ' 344' ' ' GLU . 31.1 m-70 73.78 21.57 2.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 124.771 1.229 . . . . 99.99 110.288 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' E' ' 149' ' ' LYS . 60.3 p 56.98 29.53 16.55 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.665 1.586 . . . . 99.99 111.785 -170.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -87.28 44.35 3.28 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.613 -0.721 . . . . 99.99 112.917 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 7.0 m -69.08 -43.68 74.06 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.926 0.89 . . . . 99.99 110.205 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -81.35 -77.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.853 -1.067 . . . . 99.99 110.338 -170.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.407 HD21 ' HB1' ' E' ' 160' ' ' ALA . 33.6 tp 69.48 -64.96 0.32 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.415 1.486 . . . . 99.99 111.786 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.476 ' HA ' ' HA2' ' E' ' 162' ' ' GLY . 51.0 mtm180 -52.15 -53.8 38.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.914 1.686 . . . . 99.99 113.453 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . 0.476 HG21 HG13 ' E' ' 146' ' ' ILE . 32.4 mt -101.69 70.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -168.2 69.49 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.003 -0.998 . . . . 99.99 110.441 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -173.6 -52.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.809 1.244 . . . . 99.99 108.33 176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -113.38 155.34 25.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.651 -1.159 . . . . 99.99 108.442 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 175.67 173.07 41.07 Favored Glycine 0 C--N 1.341 0.812 0 O-C-N 123.502 0.501 . . . . 99.99 112.533 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -86.17 149.79 9.32 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.054 2.503 . . . . 99.99 112.909 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -74.38 -44.95 49.89 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . 0.712 ' HB3' ' HB ' ' E' ' 144' ' ' VAL . . . 58.18 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.198 1.799 . . . . 99.99 112.976 -178.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 68.78 100.72 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.157 1.383 . . . . 99.99 109.943 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -58.76 -46.49 87.35 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.586 0.754 . . . . 99.99 112.22 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.59 ' HB ' ' HG2' ' A' ' 9' ' ' MET . 79.5 t 48.06 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.65 1.58 . . . . 99.99 112.101 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.809 HG13 ' HB2' ' A' ' 97' ' ' CYS . 48.3 t 72.24 8.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.579 2.058 0 C-N-CA 123.683 0.793 . . . . 99.99 111.842 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -66.31 -63.82 3.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 121.696 -0.628 . . . . 99.99 112.905 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 100' ' ' ALA . 7.0 mp 55.32 84.48 0.07 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.168 1.387 . . . . 99.99 112.613 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 66.2 p -121.17 -46.61 2.3 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 62.44 -152.94 0.35 Allowed 'General case' 0 C--N 1.363 1.162 0 CA-C-N 114.14 -1.391 . . . . 99.99 111.052 168.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' E' ' 461' ' ' PHE . 20.6 mp0 -78.87 -8.33 58.73 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.066 0.546 . . . . 99.99 110.152 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 143' ' ' GLN . 93.7 m 75.57 -70.25 0.15 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.354 1.462 . . . . 99.99 112.197 175.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.22 163.6 27.66 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.172 0.989 . . . . 99.99 110.819 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 68.1 tp -60.97 96.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.271 0.629 . . . . 99.99 109.684 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 135' ' ' ALA . 1.0 OUTLIER -74.24 -63.75 1.16 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.718 1.207 . . . . 99.99 110.259 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.437 ' HA ' ' HE1' ' A' ' 133' ' ' PHE . 3.6 t80 44.45 -105.5 0.09 Allowed 'General case' 0 CA--C 1.565 1.543 0 C-N-CA 126.004 1.722 . . . . 99.99 112.227 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 25.7 m 35.92 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.776 2.03 . . . . 99.99 115.459 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 41.7 ttp -138.78 146.71 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.51 ' HA ' ' HE2' ' E' ' 465' ' ' LYS . 11.2 mmpt? -61.51 -52.89 62.6 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.467 0.707 . . . . 99.99 111.306 -175.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 58.51 90.18 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.803 1.315 . . . . 99.99 112.345 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -142.97 126.0 16.3 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.244 0.617 . . . . 99.99 110.18 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 40' ' ' VAL . 97.5 mt -108.73 129.86 55.36 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.374 1.069 . . . . 99.99 110.171 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.02 -27.25 53.64 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.351 0.407 . . . . 99.99 112.213 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.412 ' O ' ' HD3' ' A' ' 124' ' ' PRO . 75.3 mt 64.0 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.658 1.583 . . . . 99.99 111.664 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.65 ' HZ2' ' HB3' ' E' ' 471' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.206 0 C-N-CA 123.22 0.608 . . . . 99.99 111.693 -175.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mmm . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 109.86 -0.422 . . . . 99.99 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -74.99 -26.07 59.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.131 0.572 . . . . 99.99 110.552 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -111.03 119.74 40.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 99.99 110.315 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -131.56 -11.25 3.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.32 1.048 . . . . 99.99 111.486 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -101.41 -33.32 10.04 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.584 0.753 . . . . 99.99 112.575 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -54.92 -44.15 73.96 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.643 0.777 . . . . 99.99 112.637 -170.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m 61.22 -74.74 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.561 1.545 . . . . 99.99 111.28 -175.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.82 21.47 11.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.315 1.446 . . . . 99.99 111.769 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.4 157.9 43.94 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.515 0.726 . . . . 99.99 109.826 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -140.5 150.62 43.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.216 -1.401 . . . . 99.99 107.216 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 86' ' ' ILE . 1.2 t80 -130.48 127.77 39.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.609 0.641 . . . . 99.99 111.826 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.626 HE21 ' HB2' ' E' ' 145' ' ' ASP . 59.2 tp60 -142.5 118.24 10.47 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 106.832 -1.544 . . . . 99.99 106.832 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.63 HG12 ' HD2' ' A' ' 84' ' ' PHE . 72.5 mt -94.26 131.58 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 63.61 109.219 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' HG21 ' A' ' 83' ' ' ILE . 30.3 tt0 -84.84 -42.5 15.03 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.336 0.398 . . . . 99.99 110.704 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -175.17 120.08 0.19 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 119.724 -0.179 . . . . 87.02 110.972 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -109.01 133.58 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 109.04 -0.726 . . . . 27.8 109.04 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 83' ' ' ILE . 25.1 p90 -162.48 161.68 27.17 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.22 0.95 . . . . 37.37 110.372 -175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -81.1 131.88 35.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.789 -0.819 . . . . 12.57 108.789 170.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 30.9 mtpt -96.52 -48.07 5.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.286 0.565 . . . . 37.56 109.726 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 21.4 m-20 -132.76 125.81 31.0 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.123 -1.066 . . . . 38.09 108.123 -175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 45.1 mt -127.75 148.42 32.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 107.189 -1.411 . . . . 5.43 107.189 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 37.7 t -156.49 150.41 25.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 123.526 0.517 . . . . 6.92 109.933 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HB2' ' HE3' ' A' ' 117' ' ' MET . 78.5 t80 -149.41 129.48 13.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.475 -1.676 . . . . 5.61 106.475 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -134.29 109.16 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.929 -0.767 . . . . 36.27 108.929 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -122.81 79.38 49.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 107.144 -1.428 . . . . 12.68 107.144 171.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.57 -46.35 0.91 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.77 2.313 . . . . 32.78 110.249 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' THR . 11.1 m120 -89.42 15.71 8.76 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.217 -1.356 . . . . 80.05 110.951 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -49.88 -49.6 73.08 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 124.706 1.202 . . . . 31.49 113.134 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.38 -14.17 22.76 Favored 'Trans proline' 0 C--N 1.393 2.904 0 C-N-CA 122.459 2.106 . . . . 44.68 113.486 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -81.11 -34.89 32.25 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.127 0.571 . . . . 99.99 110.804 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' A' ' 73' ' ' ALA . 16.1 t -73.49 -16.4 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.269 0.627 . . . . 99.99 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.66 -35.74 75.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.842 0.857 . . . . 99.99 110.232 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -93.18 -30.58 15.14 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.443 -0.799 . . . . 99.99 110.897 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' VAL . 34.8 mmtp -80.09 172.72 13.4 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.499 0.72 . . . . 99.99 111.582 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -60.33 128.06 34.84 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.366 -0.833 . . . . 99.99 109.557 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.486 ' HZ2' ' HD3' ' A' ' 124' ' ' PRO . 39.7 t-105 -85.34 62.86 7.75 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 121.973 0.892 . . . . 99.99 109.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.34 75.11 7.31 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.313 1.045 . . . . 99.99 110.063 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 78.2 Cg_endo -76.57 174.87 12.12 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.371 2.047 . . . . 57.34 112.631 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.1 107.1 19.15 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.57 125.25 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 O-C-N 124.098 0.874 . . . . 48.36 109.826 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 54.1 mttm -121.46 148.86 43.88 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 125.127 1.371 . . . . 99.99 108.797 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 tp -138.32 124.31 20.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.862 -1.063 . . . . 97.85 110.399 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 12.9 t70 -113.55 142.84 45.46 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.471 1.508 . . . . 85.15 108.206 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 133' ' ' PHE . 3.3 tm? -126.49 130.72 51.18 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -144.36 146.98 32.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.94 0.896 . . . . 78.84 109.055 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.496 ' HB ' ' HB3' ' E' ' 460' ' ' LEU . 83.6 m -134.16 138.52 45.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.426 0.691 . . . . 43.33 109.641 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.28 151.3 51.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.052 1.341 . . . . 41.53 108.897 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' HD11 ' E' ' 454' ' ' LEU . 75.0 m -133.71 152.19 51.82 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.095 0.558 . . . . 88.8 109.691 172.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -157.85 118.24 3.41 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.156 0.982 . . . . 73.87 108.525 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -81.82 136.93 35.36 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' B' ' 29' ' ' PRO . 23.5 mt -105.44 -42.26 5.28 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.506 0.722 . . . . 99.99 110.544 -173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.79 174.49 11.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.476 1.11 . . . . 99.99 108.247 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.28 135.27 48.79 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 75.4 -11.08 1.14 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 125.626 1.571 . . . . 99.99 111.215 -171.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.31 103.77 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 -175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.5 ' HB2' HD12 ' E' ' 454' ' ' LEU . 17.6 p90 -119.03 127.93 53.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 -177.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.5 tt0 -107.94 139.34 42.7 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 57.04 108.531 178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 98' ' ' LEU . 48.8 t -118.0 139.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.727 -1.582 . . . . 54.22 106.727 168.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 40.3 t -116.32 132.11 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.435 -0.95 . . . . 29.36 108.435 175.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -110.79 112.24 23.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.521 -1.288 . . . . 19.86 107.521 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 28.3 ttp180 -98.25 118.55 35.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.317 0.579 . . . . 99.99 109.518 176.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 114' ' ' ILE . 8.7 t -109.25 131.87 58.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 107.567 -1.272 . . . . 13.6 107.567 167.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 87.5 m -121.31 125.49 47.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.317 -0.623 . . . . 17.22 109.317 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 114' ' ' ILE . 54.6 t -112.96 113.35 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.805 1.242 . . . . 14.92 109.815 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 6.1 m -109.25 153.24 24.12 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.83 -0.804 . . . . 21.43 108.83 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.8 125.17 14.71 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.407 -1.331 . . . . 23.61 107.407 168.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.5 p -147.38 127.68 13.91 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.548 0.53 . . . . 57.75 110.722 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? -94.91 82.18 3.82 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.988 0.899 . . . . 99.99 108.866 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.81 -114.03 3.81 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 114.494 -1.23 . . . . 93.1 111.574 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.18 -24.69 22.11 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.805 0.842 . . . . 99.99 110.97 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.42 130.06 34.81 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.993 -0.743 . . . . 99.99 108.993 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 27' ' ' ASN . 7.3 m -87.96 148.45 24.56 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.815 -0.439 . . . . 30.12 109.815 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -90.78 -65.32 1.02 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.863 -0.791 . . . . 22.88 108.863 167.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -153.66 165.44 35.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 114.934 -1.03 . . . . 30.01 110.529 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.1 tp -141.48 141.62 33.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.107 -1.442 . . . . 14.44 107.107 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -140.59 143.53 35.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.09 -1.078 . . . . 14.43 108.09 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 33.4 tt0 -142.83 118.46 10.41 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.154 -0.684 . . . . 35.14 109.154 177.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.22 109.71 21.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.639 0.733 . . . . 9.47 109.826 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 68.0 mt-30 -90.96 86.93 6.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 114.077 -1.419 . . . . 43.33 108.587 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.72 107.54 11.5 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.015 -0.993 . . . . 15.31 109.243 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -97.56 161.58 21.31 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 112.24 -0.344 . . . . 20.02 112.24 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.48 121.23 1.18 Allowed Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.553 -1.019 . . . . 41.88 110.553 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.525 HG21 ' NE2' ' A' ' 14' ' ' GLN . 51.4 mt -80.67 128.39 38.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.627 -0.879 . . . . 66.87 108.627 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' HD2' HG12 ' A' ' 13' ' ' ILE . 13.7 m-85 -126.74 128.08 46.08 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.889 -1.152 . . . . 77.52 107.889 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.4 t -119.55 95.6 4.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.762 HG13 ' HA ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -147.65 167.26 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.357 0 N-CA-C 115.611 1.708 . . . . 99.99 115.611 -170.301 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.47 ' H ' HD12 ' A' ' 86' ' ' ILE . . . -143.28 144.68 32.22 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.21 1.804 . . . . 99.99 109.877 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 2.68 31.4 Favored Glycine 0 C--N 1.35 1.333 0 C-N-CA 123.488 0.566 . . . . 99.99 113.352 175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.558 HD13 HG23 ' A' ' 86' ' ' ILE . 2.0 mp -111.57 134.46 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.418 0.687 . . . . 99.99 109.502 -170.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -168.42 174.9 6.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.809 1.244 . . . . 99.99 109.258 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.87 43.66 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.405 0.441 . . . . 99.99 113.114 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -78.2 -15.67 58.59 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.462 0.705 . . . . 99.99 111.352 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -72.16 -37.95 69.27 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.075 -0.713 . . . . 99.99 109.075 173.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 4.4 tpt -70.23 -49.0 54.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.55 68.18 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.907 0.883 . . . . 99.99 111.367 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.26 -46.14 57.15 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 123.095 0.558 . . . . 99.99 109.676 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 34.2 t -65.5 -64.37 0.88 Allowed 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.479 0.487 . . . . 99.99 110.667 -173.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.6 pp -74.08 -13.99 60.92 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.292 0.849 . . . . 99.99 113.292 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.05 -24.32 7.68 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 114.405 0.522 . . . . 99.99 114.405 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.96 -61.91 0.7 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.493 0.663 . . . . 95.56 111.957 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.556 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 74.2 t80 -68.21 -39.64 82.33 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.656 1.982 . . . . 94.48 113.255 -167.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.0 m -79.84 -47.39 1.44 Allowed Pre-proline 0 CA--C 1.554 1.103 0 CA-C-O 118.466 -0.778 . . . . 73.2 111.483 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD3' HG11 ' A' ' 58' ' ' VAL . 30.4 Cg_endo -64.48 -13.61 39.59 Favored 'Trans proline' 0 C--N 1.389 2.679 0 CA-C-N 121.636 1.62 . . . . 48.9 112.351 170.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.25 -48.33 51.75 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 94.19 109.877 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.658 ' HA ' ' HB2' ' E' ' 139' ' ' ASN . 14.0 tt -68.05 -34.63 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.398 0.545 . . . . 55.88 110.952 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.9 mt -73.35 -15.37 61.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.378 0.671 . . . . 21.71 112.051 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.469 ' HB3' ' HD3' ' A' ' 108' ' ' PRO . 34.4 t80 -70.62 -50.36 13.82 Favored Pre-proline 0 CA--C 1.562 1.435 0 CA-C-O 117.903 -1.046 . . . . 15.39 112.559 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 107' ' ' PHE . 33.1 Cg_exo -64.38 -24.09 64.71 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 122.727 2.285 . . . . 9.95 113.914 174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -43.0 58.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.247 0.219 . . . . 20.66 110.843 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.35 90.76 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.048 0.539 . . . . 7.34 109.628 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HB2' HD23 ' A' ' 128' ' ' LEU . 35.0 ttm180 -56.12 -54.8 40.74 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.602 1.561 . . . . 15.45 111.855 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.84 -44.75 93.91 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.612 1.195 . . . . 46.26 110.396 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 117' ' ' MET . 13.5 t -56.7 -56.64 18.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.961 0.788 . . . . 4.41 109.871 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 64' ' ' VAL . 95.8 mt -54.56 -42.4 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 124.853 1.261 . . . . 7.34 111.876 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.567 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.5 m -56.5 -47.4 79.36 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.955 0.784 . . . . 7.28 111.077 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.8 t -69.64 -35.77 75.51 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.949 -1.023 . . . . 4.96 110.262 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 79.4 mmm -58.83 -50.98 71.94 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.595 1.158 . . . . 48.88 111.782 -178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.69 -31.66 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-N 115.352 -0.84 . . . . 26.6 111.466 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.7 p -72.55 -28.79 63.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.772 0.429 . . . . 17.97 110.831 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -73.75 -26.74 60.81 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.637 0.775 . . . . 8.38 110.249 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.22 1.62 88.55 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 115.716 -0.675 . . . . 6.18 113.407 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.6 m 64.9 21.82 12.39 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 123.258 1.504 . . . . 20.1 110.893 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -95.05 158.34 35.06 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-N 114.851 -1.068 . . . . 13.71 109.338 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.486 ' HD3' ' HZ2' ' A' ' 36' ' ' TRP . 72.9 Cg_exo -54.35 138.57 73.28 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.599 2.199 . . . . 20.05 112.925 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -51.46 118.16 3.12 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.759 1.287 . . . . 39.31 109.39 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' HG11 ' A' ' 64' ' ' VAL . 1.4 tm? -108.38 104.13 13.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.076 -1.453 . . . . 56.76 107.076 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.563 ' HB3' HG13 ' E' ' 135' ' ' VAL . 93.3 m-20 -95.93 111.52 23.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 106.345 -1.724 . . . . 38.41 106.345 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 111' ' ' ARG . 21.0 tp -57.34 117.75 4.42 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.441 1.496 . . . . 62.97 113.886 -169.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.87 146.78 80.95 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 124.716 1.207 . . . . 56.46 111.875 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.15 138.44 67.1 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.557 2.838 . . . . 77.42 114.729 -173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 82.9 t -130.62 113.38 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 168.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.61 96.44 7.11 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.724 0.809 . . . . 99.99 109.305 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.612 ' HE2' HD11 ' A' ' 44' ' ' LEU . 52.8 m-85 -65.0 -45.8 84.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.096 0.95 . . . . 99.99 109.569 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.19 -37.68 86.21 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 113.278 -1.783 . . . . 99.99 112.007 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.41 78.3 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.23 0.331 . . . . 99.99 111.689 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 33.3 tp -61.54 -40.5 94.9 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.334 0.396 . . . . 99.99 110.66 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -66.48 -40.48 89.34 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.372 -0.831 . . . . 99.99 110.845 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.451 ' SD ' HD23 ' A' ' 141' ' ' LEU . 22.2 mmt -77.58 -22.76 50.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.613 0.765 . . . . 99.99 112.097 -175.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.55 -30.3 68.53 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.418 0.449 . . . . 99.99 110.333 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -95.74 -46.83 6.43 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.717 0.807 . . . . 99.99 110.986 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 138' ' ' MET . 23.1 tp -67.46 -12.29 59.94 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.203 1.001 . . . . 99.99 112.326 -170.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -142.79 -12.91 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.8 0.44 . . . . 99.99 110.599 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.85 166.94 0.31 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.583 1.153 . . . . 99.99 109.767 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -53.96 108.09 0.33 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.663 0.785 . . . . 99.99 111.374 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.02 179.56 7.77 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 123.952 0.901 . . . . 99.99 111.529 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -58.77 128.67 48.21 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.935 0.772 . . . . 99.99 111.896 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.72 -20.85 61.85 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.045 0.938 . . . . 99.99 112.148 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 120.77 147.81 7.87 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 110.665 -0.974 . . . . 99.99 110.665 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.0 m -76.88 -51.43 11.27 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 117.435 0.617 . . . . 99.99 109.961 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.4 -26.68 9.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.553 -1.203 . . . . 99.99 109.99 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.35 -74.04 0.18 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.036 0.934 . . . . 99.99 110.166 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 61.76 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.034 1.334 . . . . 99.99 110.299 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -134.94 -59.23 0.8 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.425 -1.324 . . . . 99.99 107.425 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -157.75 161.4 38.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 113.85 -1.523 . . . . 99.99 108.682 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.797 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.466 -0.568 . . . . 99.99 109.466 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 65.84 101.55 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.618 1.199 . . . . 99.99 112.702 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.23 26.08 8.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.338 0.655 . . . . 99.99 111.227 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 81.52 1.13 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.883 -0.784 . . . . 99.99 108.883 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 60.9 -73.31 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.482 1.513 . . . . 99.99 112.707 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA3' ' E' ' 229' ' ' GLY . 48.4 t30 79.12 -58.26 0.41 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 126.007 1.723 . . . . 99.99 112.173 172.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -82.27 44.95 0.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.663 1.185 . . . . 99.99 111.232 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.31 119.04 15.96 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.639 0.776 . . . . 99.99 111.673 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' B' ' 87' ' ' ALA . 17.0 ttt 66.71 168.65 0.23 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.184 1.794 . . . . 99.99 113.016 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 146.32 48.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.363 1.465 . . . . 99.99 107.621 168.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.461 ' HD2' ' HG ' ' E' ' 70' ' ' LEU . 50.9 t80 -137.64 132.69 33.36 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.11 -1.07 . . . . 93.55 108.11 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.701 ' HA ' HD11 ' E' ' 70' ' ' LEU . 0.1 OUTLIER -163.91 128.82 2.85 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.604 0.565 . . . . 99.99 109.547 178.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.59 118.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.543 -0.54 . . . . 40.88 109.543 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -97.49 -43.9 7.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.411 0.685 . . . . 85.25 111.06 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -165.75 146.62 6.88 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 111.646 0.239 . . . . 95.33 111.646 -175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.49 137.97 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.439 -1.319 . . . . 13.6 107.439 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -174.15 157.66 2.88 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.361 0.874 . . . . 23.1 113.361 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.485 HG21 HD11 ' B' ' 21' ' ' ILE . 96.5 m -83.96 126.94 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.577 -1.192 . . . . 6.51 109.07 167.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -89.41 -41.41 12.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.356 0.663 . . . . 19.94 111.077 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 14.5 t70 -143.59 142.68 31.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.483 -0.781 . . . . 37.8 110.543 -166.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 113' ' ' CYS . 35.8 mm -132.12 149.06 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 124.412 1.085 . . . . 5.14 109.073 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -145.26 138.9 26.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.417 -1.265 . . . . 19.25 108.501 165.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.5 t80 -148.77 106.04 3.63 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 107.251 -1.388 . . . . 9.84 107.251 166.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -121.33 117.41 26.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.485 -0.931 . . . . 50.65 108.485 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -107.67 85.4 2.35 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.083 0.953 . . . . 18.09 108.549 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.72 -35.23 6.07 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.685 2.257 . . . . 31.77 112.451 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.27 21.99 16.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.469 0.708 . . . . 49.39 109.594 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.869 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -46.75 -52.93 28.76 Favored Pre-proline 0 N--CA 1.5 2.051 0 N-CA-C 114.147 1.166 . . . . 51.5 114.147 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.616 ' HB3' HD13 ' A' ' 51' ' ' LEU . 12.3 Cg_exo -71.26 -8.76 24.11 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 122.553 2.169 . . . . 70.98 113.403 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -99.93 -39.79 7.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.963 0.505 . . . . 99.99 111.054 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -83.3 -2.34 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 C-N-CA 124.07 0.948 . . . . 99.99 112.221 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -61.51 -29.59 70.09 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.389 0.614 . . . . 99.99 110.993 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -76.7 -23.32 53.14 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.063 -0.971 . . . . 99.99 111.319 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -85.39 109.87 18.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.796 0.838 . . . . 98.87 110.254 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.66 ' HB3' ' HE2' ' E' ' 149' ' ' LYS . 7.4 t70 -114.38 98.04 6.68 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.889 0.876 . . . . 99.99 110.117 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -167.0 170.01 12.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.993 1.317 . . . . 99.99 108.323 165.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -72.39 111.57 11.48 Favored Pre-proline 0 N--CA 1.478 0.974 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 173.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' B' ' 126' ' ' LEU . 36.1 Cg_endo -67.76 155.31 70.45 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.325 2.017 . . . . 63.52 111.243 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -68.66 115.74 8.38 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.39 0.614 . . . . 99.99 109.794 -179.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.3 124.0 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 115.839 -0.619 . . . . 72.1 110.051 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' B' ' 39' ' ' GLU . 20.9 mtmt -115.28 107.44 15.27 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.142 1.377 . . . . 99.99 108.49 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' E' ' 7' ' ' ALA . 2.4 mm? -98.66 133.79 42.5 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.816 0.846 . . . . 96.73 110.688 -172.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.512 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 13.3 m-20 -134.71 112.83 11.09 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.265 1.026 . . . . 92.63 108.438 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.14 144.61 27.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.213 -1.402 . . . . 67.27 107.213 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.768 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 19.5 t70 -136.1 141.88 44.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.731 . . . . 58.71 109.884 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.0 t -109.4 124.91 51.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.083 0.953 . . . . 66.97 110.19 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.04 148.31 25.94 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.117 0.967 . . . . 35.64 109.376 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -143.92 173.48 11.67 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.062 0.545 . . . . 74.75 110.038 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.9 p -151.33 136.94 17.87 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.255 -0.646 . . . . 43.74 109.255 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -81.56 111.8 18.19 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.822 -0.806 . . . . 89.61 108.822 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 57' ' ' GLU . 12.8 mt -88.28 -39.64 14.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.438 0.695 . . . . 71.01 109.803 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.6 -168.44 2.69 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.65 -1.159 . . . . 85.91 110.362 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -66.61 106.36 1.78 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.034 -0.984 . . . . 99.99 110.184 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 66.55 11.32 8.02 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.05 1.34 . . . . 99.99 112.543 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.8 t -105.12 108.56 25.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.819 -1.178 . . . . 76.71 107.819 175.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.2 139.92 53.2 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.085 0.954 . . . . 98.07 109.519 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.714 ' HB2' HD11 ' B' ' 51' ' ' LEU . 8.7 tt0 -101.03 102.73 13.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.626 -0.879 . . . . 46.84 108.626 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.431 ' HB ' ' HE1' ' E' ' 15' ' ' PHE . 35.8 m -89.28 117.22 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 121.808 0.813 . . . . 57.34 109.237 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.03 142.72 19.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 124.197 0.999 . . . . 21.57 109.243 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -123.43 112.85 18.02 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.378 -0.971 . . . . 62.33 108.378 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.768 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 29.8 ttm-85 -85.21 115.06 22.77 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.095 -1.076 . . . . 95.32 108.095 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.67 116.66 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.919 -1.141 . . . . 14.84 107.919 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.4 m -108.69 138.83 44.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.93 -0.767 . . . . 28.15 108.93 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 114' ' ' ILE . 72.2 t -131.54 121.13 47.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 125.209 1.404 . . . . 18.14 107.446 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 95.4 m -120.35 140.92 50.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.712 -0.847 . . . . 24.35 108.712 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.91 135.2 21.74 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.428 -0.805 . . . . 26.44 109.84 -173.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.1 m -138.4 129.54 27.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.333 0.653 . . . . 56.64 110.119 -176.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.79 105.33 17.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.607 0.763 . . . . 62.67 109.387 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.53 -114.32 3.82 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 114.635 -1.166 . . . . 81.37 112.337 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.84 18.0 15.82 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.509 1.124 . . . . 99.99 110.421 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -143.52 149.12 37.01 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 94.2 m -71.57 127.24 31.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.811 0.444 . . . . 33.32 111.755 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.27 -61.02 1.91 Allowed 'General case' 0 C--O 1.241 0.637 0 C-N-CA 124.2 1.0 . . . . 25.99 108.782 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.463 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.5 p90 -154.52 161.93 41.4 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.127 -0.942 . . . . 18.76 111.893 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 38.3 mt -130.03 110.03 11.32 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 106.748 -1.575 . . . . 16.93 106.748 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.98 150.03 41.19 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.521 -0.548 . . . . 12.76 109.521 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.89 136.48 5.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.773 -0.454 . . . . 30.38 109.773 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' B' ' 113' ' ' CYS . 49.1 t -131.96 130.39 61.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 C-N-CA 123.843 0.857 . . . . 8.91 108.924 176.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 39.1 mt-30 -101.3 91.21 4.4 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.94 -1.133 . . . . 33.15 107.94 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -81.86 101.23 10.07 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.749 -0.834 . . . . 11.26 108.749 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.06 143.05 16.32 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 114.983 -1.008 . . . . 11.78 111.453 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.86 124.39 3.26 Favored Glycine 0 C--O 1.241 0.568 0 N-CA-C 109.766 -1.334 . . . . 23.01 109.766 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.9 128.01 41.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.336 -0.987 . . . . 39.34 108.336 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' B' ' 86' ' ' ILE . 36.2 m-85 -139.04 154.53 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.877 0.736 . . . . 63.88 109.029 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 32.9 m -94.79 91.84 6.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.074 -1.084 . . . . 82.93 108.074 169.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -137.34 110.58 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.334 0.654 . . . . 98.2 110.245 -174.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' B' ' 9' ' ' MET . . . -161.72 176.87 10.48 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.784 0.833 . . . . 99.99 110.367 172.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.53 -72.54 0.23 Allowed Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.436 0.541 . . . . 99.99 112.327 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.44 166.17 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 117.744 0.772 . . . . 99.99 109.718 173.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' E' ' 19' ' ' THR . 15.7 pt-20 -157.65 -177.18 6.39 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 121.425 0.631 . . . . 99.99 111.923 -176.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' E' ' 28' ' ' VAL . . . 77.7 -132.89 12.36 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 114.41 -1.268 . . . . 99.99 113.481 174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -67.93 -35.56 78.64 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.051 0.94 . . . . 99.99 112.2 -169.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.25 -40.5 70.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.306 0.642 . . . . 99.99 110.554 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 40.0 ttp -72.84 -23.05 60.71 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.444 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.53 -18.8 65.57 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.682 0.793 . . . . 99.99 112.715 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -89.29 -28.09 20.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.652 0.381 . . . . 99.99 110.283 172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 64.3 m -71.07 -66.03 0.67 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.42 0.688 . . . . 99.99 110.281 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.564 HD21 HG13 ' B' ' 86' ' ' ILE . 86.2 mt -76.07 -28.15 57.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.874 0.87 . . . . 71.23 111.314 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 3.93 77.71 Favored Glycine 0 C--N 1.342 0.878 0 CA-C-O 118.945 -0.92 . . . . 59.87 114.642 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -154.12 -57.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.934 0.867 . . . . 71.19 112.042 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -70.02 -47.05 63.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.784 0.834 . . . . 99.99 112.454 -169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.4 m -73.01 -44.6 8.22 Favored Pre-proline 0 CA--C 1.564 1.492 0 N-CA-C 113.54 0.941 . . . . 50.37 113.54 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.64 -13.85 35.58 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 121.882 1.721 . . . . 36.29 113.7 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.51 -46.63 76.96 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.712 0.805 . . . . 87.59 112.076 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.36 -26.52 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 CA-C-N 115.573 -0.74 . . . . 37.19 111.238 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 91.1 mt -81.51 -24.91 36.38 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.618 0.767 . . . . 13.07 112.432 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -57.88 -48.31 97.37 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.664 -1.16 . . . . 99.99 113.847 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -48.87 -43.36 35.38 Favored 'Trans proline' 0 C--N 1.39 2.728 0 C-N-CA 122.618 2.212 . . . . 10.37 113.638 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -73.07 -39.01 66.22 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.985 -1.007 . . . . 12.29 111.696 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.83 74.18 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.464 0.305 . . . . 8.75 110.24 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -63.04 -51.73 65.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.383 1.073 . . . . 59.14 111.785 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.23 -33.75 75.99 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.627 0.579 . . . . 51.9 110.171 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.8 t -67.57 -34.1 76.38 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.54 0.336 . . . . 13.3 110.645 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 64' ' ' VAL . 96.3 mt -64.39 -54.22 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.45 0.7 . . . . 9.86 109.812 172.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 24.4 m -57.81 -37.76 74.36 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.907 -1.042 . . . . 13.13 111.672 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.4 t -65.66 -39.91 91.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.91 0.884 . . . . 8.02 111.376 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 15.1 mmt -66.87 -37.44 84.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.692 0.397 . . . . 26.78 109.942 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 114' ' ' ILE . 45.1 t -64.39 -36.88 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.257 -0.883 . . . . 13.3 110.138 175.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 5.3 m -65.81 -39.95 91.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.992 0.917 . . . . 29.79 110.771 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.447 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.4 mtt-85 -69.75 -35.62 75.12 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.994 -1.003 . . . . 11.55 110.61 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.91 1.55 62.65 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 123.789 0.68 . . . . 16.97 113.039 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 33.8 p 61.51 27.08 16.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.517 1.927 . . . . 23.15 112.503 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.67 162.2 51.15 Favored Pre-proline 0 CA--C 1.552 1.031 0 CA-C-N 115.378 -0.828 . . . . 23.84 109.648 172.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.55 142.01 82.09 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.267 1.978 . . . . 29.89 111.014 167.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.21 137.19 57.44 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.656 0.382 . . . . 99.99 111.556 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.524 HD21 ' HD2' ' B' ' 38' ' ' PRO . 3.2 mm? -124.15 89.1 3.02 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.622 -0.881 . . . . 72.13 108.622 170.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . 0.571 HD22 ' H ' ' B' ' 127' ' ' ASN . 0.1 OUTLIER -91.48 123.77 35.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 107.97 -1.122 . . . . 73.04 107.97 168.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.51 150.88 48.27 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.513 0.508 . . . . 90.81 112.032 -173.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.22 135.95 96.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 115.172 -0.922 . . . . 43.15 112.089 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.83 104.0 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.824 2.349 . . . . 61.27 111.508 173.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.445 ' HA ' ' OG1' ' E' ' 81' ' ' THR . 35.5 m -91.32 134.74 28.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.783 0 CA-C-O 121.121 0.486 . . . . 99.57 109.766 172.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 136' ' ' LEU . 56.3 t-20 -83.55 69.53 10.1 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 107.504 -1.295 . . . . 99.99 107.504 173.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' E' ' 11' ' ' LEU . 15.7 t80 -58.61 -38.45 78.02 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 114.393 1.257 . . . . 99.99 114.393 -159.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.634 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 14.3 t70 -75.51 -57.19 4.04 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.805 0.442 . . . . 99.99 111.167 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.84 63.16 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.68 0.792 . . . . 99.99 111.788 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.628 HD12 HD12 ' E' ' 80' ' ' ILE . 28.3 tp -51.57 -34.67 37.89 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.738 1.615 . . . . 99.99 111.648 174.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.97 -31.27 61.41 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.665 0.786 . . . . 99.99 111.659 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -37.45 49.41 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.183 0.516 . . . . 99.99 110.201 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.93 2.2 54.22 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.689 1.196 . . . . 99.99 110.69 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -59.1 -15.83 16.15 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.195 1.798 . . . . 99.99 111.705 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' E' ' 172' ' ' GLU . 13.4 mt -97.95 -7.72 29.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.973 . . . . 99.99 111.47 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -109.19 95.49 5.67 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.366 0.666 . . . . 99.99 110.66 -173.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.86 160.72 34.83 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.904 0.882 . . . . 99.99 108.76 169.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -108.66 156.16 19.88 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.431 0.692 . . . . 99.99 110.327 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.74 -84.17 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.244 1.417 . . . . 99.99 111.573 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.51 -118.03 5.91 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 119.255 -0.747 . . . . 99.99 112.427 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.71 -155.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.771 1.228 . . . . 99.99 110.843 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 165.45 -85.67 0.1 Allowed Glycine 0 C--N 1.351 1.364 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 176.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 80.2 m -143.54 137.0 28.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.344 1.058 . . . . 99.99 108.166 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.568 ' HG3' ' HG2' ' B' ' 151' ' ' GLU . 13.4 tp10 71.05 153.18 0.12 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.944 1.298 . . . . 99.99 111.236 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.568 ' HG2' ' HG3' ' B' ' 150' ' ' GLU . 24.5 mm-40 60.36 88.36 0.08 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.626 1.17 . . . . 99.99 111.674 176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 58.3 69.87 0.7 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.658 1.183 . . . . 99.99 110.685 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.17 -135.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 107.109 -1.441 . . . . 99.99 107.109 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 70.28 122.53 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.166 1.386 . . . . 99.99 111.598 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.812 0.845 . . . . 99.99 110.913 -176.274 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.4 0.148 . . . . 99.99 111.4 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -143.64 -9.54 0.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.87 0.468 . . . . 99.99 112.218 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.82 58.5 0.62 Allowed 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.813 0.816 . . . . 99.99 109.417 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 58.92 57.1 3.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.575 1.15 . . . . 99.99 112.232 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -159.68 107.1 1.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.168 -0.924 . . . . 99.99 110.035 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -97.61 -1.94 42.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.023 1.329 . . . . 99.99 110.766 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p 61.27 -68.44 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.995 2.118 . . . . 99.99 113.028 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.35 85.35 1.46 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.596 0.759 . . . . 99.99 109.781 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.606 ' HG2' ' HA2' ' C' ' 88' ' ' GLY . 55.2 mtm 59.21 112.67 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.47 1.508 . . . . 99.99 112.592 -175.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m -130.22 119.46 22.95 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.458 1.103 . . . . 99.99 109.296 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' C' ' 85' ' ' SER . 11.6 t80 -126.64 127.22 44.85 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.164 0.438 . . . . 99.99 109.939 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.61 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 47.2 tp60 -156.59 135.63 11.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.77 1.228 . . . . 99.99 108.794 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' E' ' 136' ' ' LYS . 50.1 mt -96.97 106.21 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.352 -0.981 . . . . 56.3 108.352 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.701 ' HB3' HH11 ' C' ' 15' ' ' ARG . 37.3 mt-30 -86.38 -48.55 8.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.291 0.848 . . . . 93.16 113.291 -168.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' C' ' 14' ' ' GLN . 0.0 OUTLIER -161.75 159.27 26.98 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.041 0.448 . . . . 99.99 110.827 174.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mt -128.69 147.53 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.663 1.185 . . . . 11.74 108.354 -177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -179.4 160.91 1.03 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.968 0.792 . . . . 19.28 111.545 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -87.32 112.87 22.51 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.941 -0.763 . . . . 6.91 108.941 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -73.8 -49.66 24.27 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.618 0.723 . . . . 21.95 109.233 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 3.9 m-20 -134.18 143.79 48.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 114.43 -1.259 . . . . 50.62 108.401 -174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' D' ' 22' ' ' SER . 97.2 mt -137.77 149.17 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.691 -1.226 . . . . 5.12 107.691 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.629 ' HB2' ' HB3' ' C' ' 77' ' ' GLU . 69.2 m -154.49 150.35 27.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.564 0.697 . . . . 9.28 111.346 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 88.5 t80 -151.72 109.74 3.7 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 106.834 -1.543 . . . . 8.82 106.834 166.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.61 112.7 22.54 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.204 0.602 . . . . 30.58 109.42 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.62 80.49 31.39 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.475 1.11 . . . . 12.04 108.479 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.23 -30.55 24.57 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.623 2.215 . . . . 30.41 110.827 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.95 26.15 3.34 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 114.95 -1.023 . . . . 61.38 110.904 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.63 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -59.4 -49.49 92.2 Favored Pre-proline 0 CA--C 1.579 2.07 0 N-CA-C 113.881 1.067 . . . . 26.66 113.881 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 27.0 Cg_exo -67.94 -36.59 17.42 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 122.241 1.961 . . . . 35.22 112.169 170.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.92 -22.11 66.94 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.111 1.364 . . . . 48.75 111.348 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' C' ' 123' ' ' PHE . 0.9 OUTLIER -56.52 -40.47 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 55.24 111.515 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.44 -7.1 48.09 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.489 -0.778 . . . . 99.99 112.078 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -120.45 26.18 9.34 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.024 0.53 . . . . 97.11 111.976 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -123.78 166.27 15.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.928 -0.483 . . . . 88.6 110.71 171.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -69.12 129.1 38.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.934 0.893 . . . . 99.99 110.349 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.504 ' CH2' ' HB ' ' E' ' 301' ' ' ILE . 70.5 m95 -85.28 65.29 9.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.798 0.839 . . . . 99.99 110.375 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 37' ' ' GLN . 0.9 OUTLIER -164.72 82.79 1.22 Allowed Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.022 -1.103 . . . . 99.99 108.022 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.583 ' HA ' ' HB3' ' C' ' 68' ' ' LEU . 43.6 Cg_endo -99.01 172.25 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.932 2.421 . . . . 68.93 114.019 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.26 112.35 23.86 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.411 -1.268 . . . . 99.99 107.959 166.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 t -86.11 141.28 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.238 -1.023 . . . . 87.15 108.238 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -138.5 139.25 38.68 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.935 0.894 . . . . 99.99 109.03 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.36 127.52 53.01 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.731 0.812 . . . . 94.05 109.779 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.499 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 21.7 m-20 -124.52 114.72 19.8 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.338 1.055 . . . . 99.99 109.579 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' C' ' 60' ' ' LEU . 6.5 mp -101.13 119.43 38.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.77 0.828 . . . . 71.87 110.046 -178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 15.4 t70 -114.36 149.42 36.12 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.332 1.053 . . . . 92.17 109.377 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . 0.487 HG22 ' HD1' ' E' ' 281' ' ' PHE . 71.7 p -114.57 135.34 54.24 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.049 0.54 . . . . 62.96 111.092 -170.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.6 149.43 34.53 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.577 0.751 . . . . 35.73 109.492 172.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -156.33 157.39 35.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.573 0.749 . . . . 56.22 110.437 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -153.17 157.33 40.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.063 0.545 . . . . 43.42 110.295 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.449 ' HA ' ' HD1' ' C' ' 56' ' ' TYR . 46.2 tt0 -92.03 134.08 35.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.161 0.584 . . . . 99.99 109.907 175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.548 ' HB2' HG12 ' C' ' 55' ' ' VAL . 52.1 mt -115.23 -28.78 6.81 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.414 0.686 . . . . 61.44 110.404 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.72 -163.16 0.16 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.268 1.027 . . . . 94.06 109.896 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.63 119.67 10.96 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.811 -0.811 . . . . 99.99 108.811 168.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 66.16 -8.03 0.37 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.323 1.449 . . . . 99.99 113.978 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' C' ' 51' ' ' LEU . 86.6 t -97.72 112.58 30.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.001 -1.111 . . . . 81.86 108.001 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' C' ' 50' ' ' GLN . 54.2 m-85 -138.84 140.04 38.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.532 0.733 . . . . 99.99 109.29 -173.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -83.52 139.47 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.279 -0.873 . . . . 35.21 110.002 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.07 117.09 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.677 -0.86 . . . . 29.6 108.677 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 61.5 t -114.7 136.28 51.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 C-N-CA 124.864 1.266 . . . . 20.9 108.51 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 44' ' ' LEU . 60.9 tp -129.69 115.66 17.67 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.625 -0.88 . . . . 69.19 108.625 173.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.744 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 10.1 ttm180 -83.89 116.39 22.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.205 -0.907 . . . . 99.99 109.414 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 36.2 t -98.17 103.39 14.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 106.686 -1.598 . . . . 14.53 106.686 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.499 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 39.3 m -107.45 117.94 35.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.834 -0.802 . . . . 20.42 108.834 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.07 111.82 33.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.162 -0.927 . . . . 17.7 108.986 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 9.7 m -99.39 137.6 37.67 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.673 -0.491 . . . . 29.53 109.673 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.6 106.96 10.53 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 106.868 -1.53 . . . . 32.22 106.868 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.7 m -148.3 134.76 19.63 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.014 0.526 . . . . 59.66 110.347 -178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.621 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.5 OUTLIER -99.3 50.93 0.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.81 0.814 . . . . 97.29 109.159 176.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.55 -121.13 4.84 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 114.556 -1.202 . . . . 76.35 110.177 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -91.56 -18.88 23.4 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.415 -0.587 . . . . 99.99 109.415 173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.61 106.99 4.25 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.588 0.755 . . . . 77.02 109.496 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 52.9 m -87.99 128.89 35.39 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.16 0.505 . . . . 37.0 110.311 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.12 0.71 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.641 1.176 . . . . 34.06 109.375 173.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -158.33 174.12 15.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.619 0.768 . . . . 39.96 109.997 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -136.24 127.52 28.25 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 107.63 -1.248 . . . . 16.54 107.63 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 45.9 t -119.45 148.06 43.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.707 -1.22 . . . . 10.97 107.707 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' C' ' 22' ' ' SER . 32.6 tt0 -158.18 138.6 12.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.527 0.331 . . . . 36.61 110.79 -175.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' C' ' 110' ' ' ALA . 83.5 t -142.41 114.56 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.974 0.91 . . . . 9.25 108.965 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 33.3 mt-30 -91.61 87.98 6.56 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 108.396 -0.965 . . . . 25.23 108.396 168.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.69 116.2 19.73 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.015 -0.993 . . . . 10.64 108.992 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.31 144.47 17.21 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.556 -0.617 . . . . 10.6 111.556 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.13 120.3 1.59 Allowed Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 109.573 -1.411 . . . . 19.17 109.573 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.51 HD12 HD11 ' C' ' 51' ' ' LEU . 14.4 mm -85.42 124.52 40.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 109.381 -0.6 . . . . 30.38 109.381 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -136.12 122.68 20.87 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.924 -1.139 . . . . 49.62 107.924 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 49.1 m -69.65 98.36 1.16 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.543 -1.28 . . . . 92.15 107.543 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tt -134.76 99.55 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.875 0.845 . . . . 99.99 109.927 -172.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.34 -60.31 1.75 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.87 -0.605 . . . . 99.99 109.507 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.606 ' HA2' ' HG2' ' C' ' 9' ' ' MET . . . 56.59 -101.25 0.14 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.089 -1.204 . . . . 99.99 110.089 -168.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 6.3 tp -170.08 61.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 125.007 1.323 . . . . 99.99 108.808 166.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.562 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 42.7 mt-10 60.63 -179.91 0.1 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 114.056 -1.429 . . . . 99.99 114.573 170.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.06 -119.16 13.1 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 114.147 -1.388 . . . . 99.99 114.23 168.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -68.29 -39.31 82.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.189 0.996 . . . . 99.99 111.017 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -61.75 -35.7 78.87 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.198 0.599 . . . . 99.99 111.154 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.648 ' SD ' ' HB3' ' E' ' 278' ' ' LEU . 55.9 mtt -75.11 -47.16 30.06 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.937 -0.574 . . . . 99.99 109.73 170.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.78 65.89 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.269 1.028 . . . . 99.99 113.716 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.414 ' HA ' ' CD1' ' C' ' 137' ' ' PHE . 76.2 m-70 -69.98 -47.75 60.97 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.377 0.671 . . . . 99.99 111.661 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -81.49 -37.92 27.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.082 0.553 . . . . 99.99 111.062 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.532 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.4 tt -67.28 -28.18 67.8 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.034 0.934 . . . . 99.99 109.953 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.05 -17.39 59.43 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.26 -0.744 . . . . 68.51 114.416 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.555 ' HB2' ' HB2' ' C' ' 137' ' ' PHE . . . -127.63 -59.48 1.21 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 118.28 1.04 . . . . 56.52 111.978 -175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -44.02 97.29 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.751 0.82 . . . . 99.99 110.264 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 68.1 m -69.88 -57.7 6.14 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-O 117.944 -1.027 . . . . 56.59 112.696 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.562 ' HA ' ' HB3' ' C' ' 106' ' ' LEU . 73.8 Cg_endo -70.37 -21.96 29.92 Favored 'Trans proline' 0 C--N 1.4 3.256 0 C-N-CA 122.488 2.125 . . . . 39.21 113.401 -174.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -66.09 -41.17 91.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.119 0.568 . . . . 71.72 110.207 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 38.7 mm -76.17 -38.6 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.926 0.89 . . . . 8.71 110.546 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.562 ' HB3' ' HA ' ' C' ' 103' ' ' PRO . 8.8 tt -69.84 -35.41 74.73 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 114.585 -1.189 . . . . 37.06 111.232 -173.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.94 -52.04 75.1 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 117.316 -1.326 . . . . 16.74 113.944 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' C' ' 111' ' ' ARG . 85.7 Cg_exo -49.72 -41.04 47.07 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 122.715 2.277 . . . . 9.85 113.938 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.567 ' HE2' HG21 ' A' ' 115' ' ' THR . 82.6 m-85 -70.74 -40.12 72.93 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.583 0.753 . . . . 5.88 111.626 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.508 ' HA ' HG11 ' C' ' 78' ' ' VAL . . . -65.95 -36.07 82.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.277 0.56 . . . . 7.64 110.71 174.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 34.3 ttt180 -60.5 -51.87 67.6 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.809 1.644 . . . . 20.64 112.195 -175.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -67.16 -36.67 82.31 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 123.34 0.4 . . . . 38.86 110.062 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.35 -33.31 75.25 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.994 -0.548 . . . . 13.9 110.823 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 61.7 mt -68.38 -47.55 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.75 0.42 . . . . 8.58 110.414 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 22.1 m -60.58 -35.77 76.9 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 123.364 0.415 . . . . 8.54 110.899 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 25.9 t -67.62 -50.86 56.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.015 0.926 . . . . 6.56 109.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' C' ' 23' ' ' PHE . 0.0 OUTLIER -57.92 -43.49 86.25 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.327 1.051 . . . . 5.22 111.793 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.64 -37.61 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.152 0.581 . . . . 28.53 110.624 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -72.28 -27.67 62.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.431 0.693 . . . . 17.6 111.242 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -76.98 -31.81 56.8 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.595 0.758 . . . . 7.72 110.078 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.2 -0.61 71.51 Favored Glycine 0 C--N 1.355 1.598 0 O-C-N 123.425 0.453 . . . . 10.8 112.522 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 27.7 p 63.98 24.89 13.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.817 2.047 . . . . 15.17 112.542 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' C' ' 31' ' ' VAL . 49.6 m-85 -89.22 159.35 45.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-N 115.177 -0.92 . . . . 24.81 109.461 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.93 127.7 26.08 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.236 1.958 . . . . 29.42 110.715 173.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.12 156.79 14.35 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.962 1.097 . . . . 72.03 113.962 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.412 HD13 ' OG1' ' E' ' 296' ' ' THR . 15.8 tp -123.67 99.69 6.41 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.323 -1.308 . . . . 59.85 109.307 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.47 103.22 15.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.901 -1.148 . . . . 41.85 107.901 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.729 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.5 mm? -56.58 148.16 20.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.559 0.743 . . . . 38.57 112.036 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.66 160.66 69.09 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 114.997 -1.001 . . . . 24.62 111.301 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.52 92.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.748 2.298 . . . . 24.48 111.082 164.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.39 123.93 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 109.387 -0.597 . . . . 68.05 109.387 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.47 95.43 10.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.79 0.836 . . . . 99.99 111.737 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -86.05 -32.03 21.64 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.471 0.709 . . . . 99.99 110.161 164.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.496 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 4.3 p-10 -67.57 -52.25 40.86 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.258 -1.337 . . . . 99.99 113.38 -165.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' HB3' ' C' ' 138' ' ' MET . . . -69.52 -23.85 63.66 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 118.387 -0.816 . . . . 99.99 112.992 -168.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.05 -47.5 80.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 123.756 0.66 . . . . 99.99 110.731 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . 0.555 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 78.5 m-85 -83.26 -40.82 19.09 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.376 -0.829 . . . . 99.99 111.368 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . 0.459 ' HB3' ' HA ' ' C' ' 135' ' ' ALA . 13.0 tmm? -46.21 -29.47 1.59 Allowed 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 125.615 1.566 . . . . 99.99 113.798 -171.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -51.39 -34.6 35.16 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.322 1.049 . . . . 99.99 112.856 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . 0.416 ' HD1' ' O ' ' C' ' 137' ' ' PHE . 1.5 p90 -56.77 -78.71 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.087 0.955 . . . . 99.99 109.875 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.66 139.57 12.9 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.057 -1.46 . . . . 99.99 107.057 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.46 146.9 48.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.781 0.432 . . . . 99.99 110.609 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.39 -72.45 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 125.388 1.475 . . . . 99.99 112.361 167.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 79.46 112.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 125.783 1.633 . . . . 99.99 112.179 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.32 -97.59 0.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.405 1.482 . . . . 99.99 114.168 167.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 104.44 1.73 Allowed Glycine 0 C--N 1.358 1.786 0 N-CA-C 111.094 -0.803 . . . . 99.99 111.094 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -35.05 63.73 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.698 0.799 . . . . 99.99 112.241 -175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 157.95 -64.74 0.3 Allowed Glycine 0 C--N 1.352 1.428 0 N-CA-C 113.638 0.215 . . . . 99.99 113.638 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.1 t -98.24 -10.76 23.49 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.076 0.769 . . . . 99.99 113.076 -166.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -77.92 -27.09 49.36 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.483 0.583 . . . . 99.99 109.441 167.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.61 ' HG2' ' HB2' ' C' ' 12' ' ' GLN . 10.7 tp10 -75.08 143.9 43.18 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.589 -1.187 . . . . 99.99 108.011 164.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -62.78 -23.01 67.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.808 0.843 . . . . 99.99 110.869 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.551 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 8.5 tt0 64.15 38.64 8.16 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.576 1.15 . . . . 99.99 111.18 164.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 66.44 16.66 10.48 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 114.761 -1.109 . . . . 99.99 113.063 176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.873 -0.788 . . . . 99.99 108.873 173.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.269 -0.271 . . . . 99.99 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -116.79 98.15 6.35 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.118 -1.068 . . . . 99.99 108.118 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 63.4 -170.89 0.18 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.927 1.291 . . . . 99.99 112.053 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 67.61 89.66 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.83 1.252 . . . . 99.99 111.807 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -105.75 -19.67 13.68 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.475 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.68 57.08 4.45 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.587 1.155 . . . . 99.99 111.256 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -79.14 -84.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 122.837 0.455 . . . . 99.99 110.387 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -150.13 -163.81 1.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.58 1.552 . . . . 99.99 108.295 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.436 ' HA ' ' HA3' ' D' ' 88' ' ' GLY . 0.0 OUTLIER -34.15 125.96 0.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.57 1.148 . . . . 99.99 112.667 171.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.505 HG23 HE22 ' D' ' 12' ' ' GLN . 98.0 m -119.21 140.48 50.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.521 1.128 . . . . 99.99 109.863 -174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' D' ' 85' ' ' SER . 49.0 t80 -162.29 111.34 1.44 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.868 0.73 . . . . 76.43 109.21 173.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.505 HE22 HG23 ' D' ' 10' ' ' THR . 23.4 mp0 -121.47 144.61 48.6 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.214 -1.032 . . . . 99.99 108.214 168.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.449 HD13 HG21 ' D' ' 105' ' ' ILE . 31.6 mt -89.76 108.6 19.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.599 -1.26 . . . . 41.34 107.599 172.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.56 -40.59 20.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.539 -0.755 . . . . 79.46 111.034 -169.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -166.57 126.87 1.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.201 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.02 131.52 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.459 -1.311 . . . . 53.22 107.459 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' D' ' 83' ' ' ILE . 38.0 p90 -157.87 151.9 24.25 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.527 0.68 . . . . 19.87 110.417 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . 0.404 HG21 HD11 ' D' ' 21' ' ' ILE . 68.4 p -80.39 127.16 32.07 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.779 -1.1 . . . . 8.43 109.986 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.63 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 32.1 mtpt -104.06 -22.57 13.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.39 0.676 . . . . 36.9 110.208 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 8.6 t70 -150.99 133.58 15.62 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.565 -1.198 . . . . 36.68 108.192 172.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.453 HD13 ' HE3' ' C' ' 117' ' ' MET . 42.6 mt -128.78 138.82 53.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 106.658 -1.608 . . . . 4.02 106.658 173.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 21' ' ' ILE . 38.8 t -150.14 143.64 25.19 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 7.64 110.028 172.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 82.0 t80 -143.14 136.46 28.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 104.426 -2.435 . . . . 5.08 104.426 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.11 111.79 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.418 0.687 . . . . 28.73 109.655 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -120.75 87.41 42.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 N-CA-C 109.219 -0.66 . . . . 7.19 109.219 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.76 -51.76 0.63 Allowed 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 122.875 2.384 . . . . 13.41 113.038 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -91.31 16.1 10.73 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.456 0.702 . . . . 11.97 110.788 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.43 -57.35 3.78 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.598 1.559 . . . . 12.01 114.991 -168.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 83' ' ' ILE . 77.3 Cg_endo -75.76 -28.15 8.21 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 121.905 1.736 . . . . 20.55 113.122 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -68.83 -46.49 68.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.359 1.463 . . . . 22.26 108.699 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' D' ' 73' ' ' ALA . 3.3 p -85.56 -7.8 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 CA-C-N 114.588 -1.187 . . . . 34.6 112.134 -170.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 9.2 m-85 -63.89 -30.61 71.68 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 122.783 0.433 . . . . 32.96 111.948 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.15 -26.14 64.5 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.768 0.668 . . . . 99.99 110.636 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -90.15 67.79 6.98 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.119 0.968 . . . . 31.63 109.037 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.77 82.81 7.33 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.117 0.961 . . . . 99.99 110.718 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 7.4 p90 -145.78 -168.75 3.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.077 -0.965 . . . . 49.29 108.902 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -76.1 120.86 83.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 119.558 -0.258 . . . . 99.99 110.37 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 17.3 Cg_exo -67.15 139.8 51.74 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.125 1.883 . . . . 31.29 111.094 175.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.49 109.44 1.02 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 105.986 -1.857 . . . . 99.99 105.986 161.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -131.53 108.82 15.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.849 0.833 . . . . 52.79 109.37 -169.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -89.57 132.87 34.88 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 tp -92.97 144.94 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.4 -1.704 . . . . 74.77 106.4 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -136.66 149.93 48.22 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.023 -1.473 . . . . 99.99 107.023 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.446 HD13 ' HD1' ' D' ' 133' ' ' PHE . 3.4 pp -138.72 151.52 47.2 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.351 0.596 . . . . 66.01 110.762 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' E' ' 111' ' ' LEU . 30.0 t70 -160.85 152.74 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 113.792 -1.549 . . . . 79.72 107.846 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.564 ' H ' HD23 ' E' ' 111' ' ' LEU . 9.9 t -147.89 154.93 41.03 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.269 0.557 . . . . 77.52 109.897 173.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.51 146.85 27.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.75 -1.204 . . . . 38.8 107.75 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 16.0 p -150.93 155.66 39.58 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.211 0.529 . . . . 48.36 111.739 -169.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 37.2 p -158.52 134.61 9.15 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.563 -1.199 . . . . 52.73 108.4 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HA ' ' D' ' 52' ' ' ALA . 39.3 tt0 -75.07 126.07 30.25 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.155 0.284 . . . . 99.71 110.261 177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.98 81.29 2.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 105.59 -2.004 . . . . 82.32 105.59 163.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' D' ' 50' ' ' GLN . . . -46.85 82.5 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.606 1.706 . . . . 96.95 115.606 -154.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -179.52 62.69 0.01 OUTLIER 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.046 1.338 . . . . 99.99 109.418 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.401 ' HA ' HG23 ' E' ' 97' ' ' ILE . 1.1 m-20 55.47 14.5 1.18 Allowed 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 114.159 1.17 . . . . 99.99 114.159 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -133.06 133.65 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 107.651 -1.24 . . . . 82.8 107.651 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' D' ' 86' ' ' ILE . 1.7 p90 -125.98 165.81 18.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.889 0.852 . . . . 99.99 111.168 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' NZ ' ' D' ' 19' ' ' LYS . 12.3 tp10 -109.85 132.87 53.76 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 113.263 -1.79 . . . . 55.89 108.383 170.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.68 112.99 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.033 -1.099 . . . . 44.56 108.033 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.625 HG12 ' HD3' ' D' ' 19' ' ' LYS . 35.8 m -99.03 105.92 18.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.715 0.769 . . . . 19.48 109.024 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' D' ' 103' ' ' PRO . 63.8 tp -87.26 106.5 17.96 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.854 -0.612 . . . . 52.2 109.63 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -83.24 97.64 8.97 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.968 0.907 . . . . 99.99 109.787 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' D' ' 110' ' ' ALA . 76.9 t -92.53 118.31 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.167 -1.049 . . . . 9.25 108.167 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -119.32 144.71 46.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.116 -0.698 . . . . 10.79 109.116 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 68.9 t -137.58 135.07 46.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 124.317 1.047 . . . . 9.72 108.684 -172.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 20.0 m -134.34 111.72 10.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.09 0.956 . . . . 19.36 108.633 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.47 145.73 48.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.749 0.82 . . . . 11.33 111.072 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.412 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 14.7 m -149.01 127.29 12.15 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.617 0.767 . . . . 29.87 111.142 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' D' ' 31' ' ' VAL . 21.5 mt -98.61 111.74 24.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 108.764 -0.828 . . . . 24.97 108.764 174.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.09 -111.0 3.4 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.529 -0.629 . . . . 27.84 111.529 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.24 4.99 9.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.005 0.922 . . . . 76.3 111.105 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.1 163.6 21.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.392 0.677 . . . . 81.89 109.933 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 96.2 m -65.92 132.9 49.72 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.575 0.75 . . . . 11.35 111.862 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.574 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -90.38 -71.62 0.61 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.259 -1.015 . . . . 10.67 108.259 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.06 162.52 37.72 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.593 -0.73 . . . . 7.73 110.95 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 68.9 mt -130.91 155.28 47.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.027 1.731 . . . . 11.05 106.972 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.0 t -158.95 146.69 17.75 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.506 -0.283 . . . . 12.97 110.266 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.2 122.25 5.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.695 0.398 . . . . 47.96 110.357 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 72.2 t -125.7 118.24 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.595 0.758 . . . . 5.05 109.18 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.759 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 27.0 mt-30 -88.61 89.9 8.18 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.306 -0.998 . . . . 21.68 108.306 168.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.423 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.5 tp-100 -79.78 117.27 20.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.211 -1.358 . . . . 8.01 107.743 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.66 168.59 12.83 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.266 0.353 . . . . 11.29 112.544 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.38 144.26 10.03 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.477 0.139 . . . . 22.6 113.189 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.5 HG13 ' HE1' ' D' ' 17' ' ' TYR . 79.6 mt -89.35 114.36 27.26 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 107.714 -1.217 . . . . 43.57 107.714 171.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -118.37 126.21 51.62 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.959 0.504 . . . . 45.01 109.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' ' 11' ' ' PHE . 58.0 m -77.19 137.1 38.66 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.039 -0.726 . . . . 77.58 109.039 168.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.706 HG12 HD11 ' D' ' 89' ' ' ILE . 11.1 tt -146.98 144.05 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 109.29 -0.633 . . . . 88.57 109.29 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.414 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -169.25 170.58 8.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.575 0.75 . . . . 99.99 111.031 177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' D' ' 9' ' ' MET . . . 82.13 13.32 79.37 Favored Glycine 0 N--CA 1.475 1.264 0 C-N-CA 123.722 0.677 . . . . 99.99 114.027 174.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.706 HD11 HG12 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -141.54 159.64 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 124.246 1.018 . . . . 99.99 111.038 -175.328 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . 0.589 ' HA ' ' SD ' ' D' ' 94' ' ' MET . 0.0 OUTLIER -150.18 -173.47 4.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.807 0.843 . . . . 99.99 109.561 178.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.57 -130.71 34.45 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 123.498 0.499 . . . . 99.99 113.836 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -80.66 -46.3 15.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.439 0.696 . . . . 99.99 111.632 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.95 -42.39 68.82 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.415 0.686 . . . . 99.99 112.644 -172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' D' ' 90' ' ' GLU . 24.6 ptt? -60.38 -44.37 95.7 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.432 0.634 . . . . 99.99 111.712 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.23 -12.04 50.74 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.464 1.106 . . . . 88.9 111.71 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -82.41 -34.77 28.13 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.237 0.615 . . . . 99.99 110.702 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.08 -51.15 70.44 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.451 0.701 . . . . 95.17 111.264 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -68.38 -19.01 64.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.733 0.813 . . . . 99.99 113.115 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.0 -3.1 56.97 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.149 0.281 . . . . 66.02 113.442 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.12 -65.59 0.43 Allowed 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.425 0.631 . . . . 54.11 110.978 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.01 -51.99 53.38 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.092 1.357 . . . . 40.76 112.423 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.536 ' HA ' HD12 ' D' ' 105' ' ' ILE . 26.0 m -70.14 -38.03 8.25 Favored Pre-proline 0 CA--C 1.561 1.381 0 N-CA-C 113.925 1.083 . . . . 34.31 113.925 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' D' ' 60' ' ' LEU . 55.8 Cg_exo -54.53 -35.67 86.44 Favored 'Trans proline' 0 C--N 1.397 3.125 0 C-N-CA 122.568 2.178 . . . . 28.69 113.022 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.44 ' HA ' ' HE2' ' D' ' 133' ' ' PHE . 7.8 t-20 -64.02 -30.46 71.53 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.918 0.487 . . . . 61.29 112.115 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' D' ' 102' ' ' CYS . 55.5 mt -61.63 -37.31 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.229 1.011 . . . . 19.65 110.839 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 80' ' ' GLN . 42.5 mt -80.0 -17.28 53.26 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.008 -0.997 . . . . 13.09 111.696 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.11 -40.69 22.9 Favored Pre-proline 0 CA--C 1.57 1.725 0 CA-C-O 117.625 -1.179 . . . . 10.47 113.789 -173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.27 -44.77 37.07 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.606 2.204 . . . . 6.22 113.538 171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -80.16 -25.68 39.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.532 -0.758 . . . . 10.48 111.384 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . 0.421 ' CB ' HG21 ' D' ' 62' ' ' VAL . . . -65.27 -45.91 82.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.496 -0.557 . . . . 4.16 109.496 170.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' D' ' 128' ' ' LEU . 33.3 ttp-105 -59.81 -50.45 73.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.876 -1.056 . . . . 10.22 109.881 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -55.65 -47.77 76.12 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.59 1.181 . . . . 32.24 111.58 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 34.1 t -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.518 -0.765 . . . . 3.39 110.709 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.671 HG12 ' SG ' ' D' ' 76' ' ' CYS . 90.8 mt -61.71 -54.38 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.646 0.778 . . . . 5.37 110.804 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -49.04 -46.92 44.95 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.109 0.963 . . . . 7.06 111.034 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -63.38 -44.89 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.77 -1.105 . . . . 6.71 110.416 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 72.7 mtm -69.52 -32.66 71.63 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.183 0.593 . . . . 5.08 111.761 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 114' ' ' ILE . 97.6 t -66.27 -45.69 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.197 0.599 . . . . 5.65 109.758 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.6 p -70.57 -30.11 66.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.917 -0.583 . . . . 10.21 110.951 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -71.52 -30.45 65.94 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.818 0.847 . . . . 6.99 109.986 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.25 1.45 87.16 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.47 -0.786 . . . . 7.43 112.985 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 19.6 m 70.68 18.19 6.39 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 124.507 1.123 . . . . 18.26 111.437 173.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . 0.451 ' HZ ' ' HA ' ' D' ' 28' ' ' ALA . 59.8 m-85 -96.21 160.76 29.1 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.478 0.711 . . . . 10.7 110.483 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.57 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 73.4 Cg_exo -53.13 129.75 34.87 Favored 'Trans proline' 0 C--N 1.387 2.554 0 C-N-CA 123.377 2.718 . . . . 20.06 113.226 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -50.95 125.19 12.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.263 1.025 . . . . 16.85 111.555 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 66.6 tp -108.58 107.07 17.43 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.784 -0.643 . . . . 14.84 109.863 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -101.61 93.51 5.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.753 0.821 . . . . 76.73 109.055 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' D' ' 111' ' ' ARG . 75.2 mt -63.29 119.52 9.8 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.123 0.569 . . . . 20.32 111.581 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.42 129.68 91.44 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-O 118.647 -0.692 . . . . 28.37 110.276 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.95 132.64 53.25 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.887 3.058 . . . . 32.68 112.061 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.17 131.75 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.178 0.591 . . . . 69.78 110.425 -172.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.53 99.84 9.02 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.446 ' HD1' HD13 ' D' ' 44' ' ' LEU . 84.0 m-85 -60.71 -25.46 66.44 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.606 1.162 . . . . 99.99 111.783 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -52.26 -38.53 58.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.671 1.232 . . . . 99.99 111.39 175.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.14 65.7 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.895 0.878 . . . . 99.99 111.431 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.66 ' HB3' HD12 ' E' ' 111' ' ' LEU . 2.4 tt -72.39 -40.48 67.2 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' D' ' 141' ' ' LEU . 41.1 t80 -61.44 -38.64 87.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 99.99 111.183 -172.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 22.7 ptp -73.95 -38.86 64.09 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.313 0.645 . . . . 99.99 110.589 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -73.54 -29.6 62.55 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.773 0.829 . . . . 99.99 111.236 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -87.22 -34.44 18.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.394 0.678 . . . . 99.99 109.867 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 137' ' ' PHE . 6.7 tt -62.94 -43.59 98.37 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.395 0.678 . . . . 99.99 109.759 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -76.17 -1.03 24.27 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.507 0.323 . . . . 99.99 111.641 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -135.14 42.75 2.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.589 0.756 . . . . 99.99 109.627 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -178.06 128.14 0.13 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.936 0.894 . . . . 99.99 109.196 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -165.45 -57.04 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.426 0.69 . . . . 99.99 109.356 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 105.43 -25.99 22.97 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.857 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 64.8 -77.73 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.679 1.592 . . . . 99.99 110.975 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -125.12 5.5 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.583 -1.407 . . . . 99.99 109.583 170.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 2.6 m 59.74 26.69 15.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.295 1.038 . . . . 99.99 111.205 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.31 117.66 7.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.469 0.708 . . . . 99.99 110.459 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 70.6 96.51 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.703 1.601 . . . . 99.99 110.095 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.66 -54.64 0.78 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.432 1.093 . . . . 99.99 109.071 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 53.6 -75.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 125.872 1.669 . . . . 99.99 113.516 171.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.35 -42.12 88.54 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.79 1.236 . . . . 99.99 110.491 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.109 0 C-N-CA 123.984 0.914 . . . . 99.99 110.043 -179.428 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.894 -0.41 . . . . 99.99 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.739 ' HG3' ' HB1' ' E' ' 305' ' ' ALA . 13.1 mptt 66.61 160.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.143 0.977 . . . . 99.99 112.306 -172.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.636 ' HG3' ' HD3' ' E' ' 303' ' ' LYS . 17.8 mm-40 -114.52 40.4 2.57 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.941 0.896 . . . . 99.99 109.798 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -71.55 131.66 43.57 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.716 -1.129 . . . . 99.99 109.912 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.474 ' HA ' HD21 ' E' ' 85' ' ' ASN . 13.3 t -141.53 21.59 2.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.494 0.717 . . . . 99.99 110.199 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.12 152.03 12.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.177 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 42' ' ' LEU . . . -149.49 167.58 25.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.432 0.693 . . . . 99.99 111.458 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -115.84 -27.97 6.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.547 1.139 . . . . 99.99 108.218 166.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' E' ' 83' ' ' ALA . . . 85.89 170.55 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 126.383 1.873 . . . . 99.99 112.471 -177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.569 ' HG ' HD21 ' B' ' 136' ' ' LEU . 0.8 OUTLIER -112.22 42.95 1.69 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.933 1.293 . . . . 99.99 108.757 -171.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' E' ' 15' ' ' PHE . 16.3 tp 67.07 164.19 0.13 Allowed Pre-proline 0 CA--C 1.579 2.094 0 C-N-CA 123.102 0.561 . . . . 99.99 109.642 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . 0.449 ' HD2' ' HG ' ' E' ' 11' ' ' LEU . 90.8 Cg_endo -78.68 16.74 1.23 Allowed 'Trans proline' 0 C--N 1.38 2.232 0 CA-C-N 121.26 1.486 . . . . 99.99 112.621 164.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.32 136.88 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.715 1.606 . . . . 99.99 111.222 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 68.22 105.7 0.05 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.907 1.283 . . . . 99.99 110.168 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' E' ' 11' ' ' LEU . 11.1 t80 -130.79 94.61 3.66 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 106.994 -1.484 . . . . 99.99 106.994 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.492 ' HA ' HD12 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -149.01 39.84 0.21 Allowed Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.927 0.891 . . . . 99.99 112.567 177.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -79.69 11.83 2.6 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.92 1.747 . . . . 99.99 113.805 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.437 HG21 HG12 ' B' ' 86' ' ' ILE . 3.3 t -63.64 -60.77 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.127 0.971 . . . . 99.99 111.351 176.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . 0.54 HG21 ' HB3' ' B' ' 90' ' ' GLU . 36.2 p -82.26 -79.66 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.628 0.371 . . . . 99.99 111.598 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.63 14.33 0.36 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.08 0.552 . . . . 99.99 110.788 -175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.06 82.05 0.96 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 121.737 0.779 . . . . 99.99 109.818 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.65 -51.82 2.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 106.613 -1.625 . . . . 99.99 106.613 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -74.48 118.32 68.99 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 115.092 -0.958 . . . . 99.99 110.455 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -70.57 169.29 20.29 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 123.241 2.627 . . . . 99.99 112.336 172.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 80.97 -44.03 0.2 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.589 1.556 . . . . 99.99 112.2 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -54.45 120.74 28.33 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 123.86 0.864 . . . . 99.99 109.763 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.69 -40.88 69.13 Favored 'Trans proline' 0 C--N 1.387 2.57 0 C-N-CA 123.159 2.573 . . . . 99.99 112.309 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' B' ' 91' ' ' GLY . 9.5 p 47.62 26.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 126.442 1.897 . . . . 99.99 112.739 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.75 -53.65 8.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.253 -1.339 . . . . 99.99 108.13 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -81.09 -52.64 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.972 -1.013 . . . . 99.99 109.537 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 64.21 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.224 1.409 . . . . 99.99 111.894 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -154.06 4.13 0.27 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.194 0.998 . . . . 99.99 110.069 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.66 -77.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.32 0.648 . . . . 99.99 110.6 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 41.69 -92.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.765 1.626 . . . . 99.99 112.219 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . 0.571 ' HA ' HE21 ' E' ' 35' ' ' GLN . 0.0 OUTLIER -154.02 -6.51 0.16 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.997 0.519 . . . . 99.99 110.782 168.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.86 16.3 61.43 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 122.851 0.262 . . . . 99.99 113.142 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.09 155.5 30.53 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.182 0.593 . . . . 99.99 109.512 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.601 ' H ' HD13 ' E' ' 38' ' ' ILE . 0.2 OUTLIER -108.02 27.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.431 0.692 . . . . 99.99 111.411 -173.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -69.41 161.42 29.45 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.099 0.56 . . . . 99.99 110.834 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.81 81.45 0.21 Allowed Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.723 1.209 . . . . 99.99 110.43 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.12 -6.44 18.95 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 123.593 2.862 . . . . 99.99 114.458 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.95 83.39 0.06 OUTLIER Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.885 -0.486 . . . . 99.99 111.885 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.12 -132.41 3.27 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-O 118.696 -1.058 . . . . 99.99 110.618 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.603 1.561 . . . . 99.99 113.625 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -92.03 49.86 1.59 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.275 1.03 . . . . 99.99 111.435 -173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.67 25.36 13.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.335 1.054 . . . . 99.99 113.581 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.5 -83.28 0.05 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.662 -0.495 . . . . 99.99 109.662 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 20.2 m 50.88 67.38 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.642 1.177 . . . . 99.99 111.193 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.59 76.25 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 114.851 -1.068 . . . . 99.99 112.45 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.22 -55.95 28.16 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.845 1.658 . . . . 99.99 110.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . 0.452 HE21 HD11 ' E' ' 55' ' ' LEU . 17.1 tm0? -60.01 -47.59 85.23 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 114.416 -1.266 . . . . 99.99 110.871 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 24.1 m -65.65 -36.07 82.63 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.03 -0.986 . . . . 99.99 112.195 -173.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.96 -16.23 36.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.367 0.667 . . . . 99.99 111.959 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.83 -69.5 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.936 0.494 . . . . 99.99 111.991 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.452 HD11 HE21 ' E' ' 51' ' ' GLN . 1.3 pp -90.91 138.05 31.89 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.416 0.524 . . . . 99.99 112.416 -168.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -179.5 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.938 1.295 . . . . 99.99 110.068 170.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -98.07 -81.25 0.44 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.801 -0.636 . . . . 99.99 112.362 -165.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -74.89 -14.09 60.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.523 0.729 . . . . 99.99 112.462 -170.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' E' ' 55' ' ' LEU . 83.9 mt -90.25 48.96 1.62 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 175.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 58.4 p -77.54 -4.4 45.52 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.459 1.104 . . . . 99.99 111.455 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -78.71 67.51 4.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.499 -0.926 . . . . 99.99 108.499 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.615 ' HB3' ' HD2' ' E' ' 63' ' ' PRO . 63.8 mmtt -149.81 169.66 8.86 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 126.1 1.76 . . . . 99.99 108.638 -170.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' E' ' 62' ' ' LYS . 80.1 Cg_exo -7.16 75.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.412 3.893 1 C-N-CA 127.539 5.493 . . . . 99.99 117.155 -171.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 171.29 -50.39 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.092 2.157 . . . . 99.99 106.283 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -157.3 143.82 18.07 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.35 -1.75 . . . . 99.99 108.036 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -168.86 126.53 1.01 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.183 -0.673 . . . . 99.99 109.183 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 8.4 tt -79.16 111.89 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 109.268 -0.642 . . . . 99.99 109.268 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.409 HG22 ' H ' ' E' ' 70' ' ' LEU . 1.9 mp -87.48 -80.03 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 107.563 -1.273 . . . . 99.99 107.563 172.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.22 31.59 19.48 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.245 1.018 . . . . 99.99 111.963 174.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' B' ' 12' ' ' GLN . 11.2 mp -82.96 47.22 1.19 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.294 -0.879 . . . . 99.99 111.546 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 37.0 mt -134.38 137.16 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 107.933 -1.136 . . . . 99.99 107.933 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.29 151.09 19.9 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.454 0.472 . . . . 99.99 112.024 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.85 149.83 34.28 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.377 0.671 . . . . 99.99 110.513 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.67 120.12 6.65 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.056 -0.52 . . . . 99.99 112.438 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 55.1 mtm -128.32 156.48 42.99 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.387 1.075 . . . . 99.99 109.627 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.99 114.41 0.56 Allowed Glycine 0 C--N 1.348 1.248 0 N-CA-C 111.386 -0.686 . . . . 99.99 111.386 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.29 140.18 43.21 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.571 0.748 . . . . 99.99 110.578 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.8 t -81.12 -51.98 7.87 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.291 -0.868 . . . . 99.99 111.531 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.46 -22.22 26.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.628 HD12 HD12 ' B' ' 136' ' ' LEU . 18.1 pt 51.14 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 126.424 1.89 . . . . 99.99 115.397 176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' B' ' 131' ' ' VAL . 2.1 p -142.74 109.14 5.31 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.483 1.113 . . . . 99.99 110.496 -174.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 -165.2 1.21 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.368 1.067 . . . . 99.99 111.734 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' E' ' 9' ' ' ALA . . . -82.43 67.27 8.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.943 0.897 . . . . 99.99 111.204 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' E' ' 85' ' ' ASN . 9.3 tpp180 -171.96 -159.2 0.14 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.597 -0.89 . . . . 99.99 108.597 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.519 ' H ' ' HG3' ' E' ' 84' ' ' ARG . 59.5 t30 -148.53 157.26 43.35 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.3 t80 73.76 155.7 0.17 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.759 1.224 . . . . 99.99 111.526 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.47 47.27 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.526 0.73 . . . . 99.99 109.676 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.66 -55.32 28.02 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.678 0.791 . . . . 99.99 111.128 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.2 0.43 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.663 -0.975 . . . . 99.99 110.663 -175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.51 -177.09 5.87 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.407 0.683 . . . . 99.99 110.254 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.48 82.71 1.55 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.896 -0.593 . . . . 99.99 113.56 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.13 -45.36 15.76 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 123.695 0.291 . . . . 99.99 113.123 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -141.99 144.34 33.63 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.219 1.008 . . . . 99.99 109.394 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -135.43 179.67 6.18 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.535 0.734 . . . . 99.99 111.301 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -130.83 111.52 12.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.518 1.127 . . . . 99.99 108.504 167.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.32 -51.07 0.04 OUTLIER Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.872 -0.491 . . . . 99.99 111.872 -174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.553 HG13 ' SD ' ' D' ' 94' ' ' MET . 0.8 OUTLIER -91.94 60.17 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-O 123.506 1.622 . . . . 99.99 107.059 172.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.65 -43.53 72.41 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.495 -1.684 . . . . 99.99 110.716 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.47 51.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.747 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.416 HD22 HG12 ' E' ' 97' ' ' ILE . 1.0 OUTLIER -150.29 111.33 3.24 Favored Pre-proline 0 C--O 1.237 0.446 0 N-CA-C 107.842 -1.169 . . . . 99.99 107.842 160.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.36 -20.48 70.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.482 2.122 . . . . 99.99 110.83 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 tt 73.62 -76.86 0.06 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 124.838 1.255 . . . . 99.99 109.072 167.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -149.03 139.24 22.26 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.116 1.366 . . . . 99.99 108.906 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.22 135.58 34.36 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.672 0.608 . . . . 99.99 112.456 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 58.15 33.55 23.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.264 1.426 . . . . 99.99 112.453 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 86.0 t80 63.85 81.71 0.2 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.377 1.071 . . . . 99.99 111.722 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m 57.85 89.22 0.05 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.704 1.602 . . . . 99.99 113.747 170.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -87.91 -7.94 56.47 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.704 -0.68 . . . . 99.99 111.392 172.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.82 73.53 10.29 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 108.485 -0.931 . . . . 99.99 108.485 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.04 119.72 23.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.763 -1.108 . . . . 99.99 109.89 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.774 ' HB2' ' HA ' ' D' ' 45' ' ' ASP . 2.3 mm? -74.51 -28.75 61.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.409 0.684 . . . . 99.99 109.61 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.58 88.97 0.51 Allowed 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -93.0 96.96 10.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.835 0.854 . . . . 99.99 108.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -69.67 -31.67 69.85 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.064 0.946 . . . . 99.99 111.317 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 25.6 p -71.38 90.49 0.96 Allowed 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.703 0.801 . . . . 99.99 109.989 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.61 -144.84 27.07 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-N 114.978 -1.01 . . . . 99.99 111.874 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' E' ' 118' ' ' PRO . 2.6 ttmp? -95.88 128.88 35.86 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.68 1.192 . . . . 99.99 109.228 -176.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' E' ' 117' ' ' LYS . 11.2 Cg_exo -71.27 75.91 1.81 Allowed 'Trans proline' 0 C--N 1.386 2.535 0 C-N-CA 123.709 2.94 . . . . 99.99 113.872 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . 0.604 ' HB3' ' HG ' ' D' ' 136' ' ' LEU . 37.6 t70 54.84 -94.73 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.504 1.522 . . . . 99.99 113.531 170.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.637 ' HB2' ' HB3' ' E' ' 334' ' ' LYS . 12.3 p90 -108.01 -4.59 17.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.126 0.57 . . . . 99.99 112.216 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.83 77.8 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 CA-C-O 121.61 0.719 . . . . 99.99 110.114 -168.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -130.18 -168.62 1.99 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.215 -1.357 . . . . 99.99 109.644 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 p30 49.75 -75.51 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 127.323 2.249 . . . . 99.99 113.993 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 11.4 m 60.43 40.62 17.04 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.336 1.055 . . . . 99.99 110.228 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.72 92.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.723 -1.126 . . . . 99.99 112.825 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.46 134.54 34.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.866 1.266 . . . . 96.83 108.11 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 70.3 p -124.5 150.81 45.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 122.806 0.442 . . . . 99.99 111.71 -173.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -171.99 -164.84 0.32 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.787 1.235 . . . . 74.48 109.246 174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.8 t -141.85 158.4 43.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.544 0.738 . . . . 99.99 109.741 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.492 ' HB2' ' HD3' ' D' ' 124' ' ' PRO . . . -99.26 171.17 8.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.983 0.513 . . . . 99.99 110.414 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.414 ' CD2' ' HA ' ' A' ' 124' ' ' PRO . 1.4 p90 -163.55 -176.48 4.71 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.893 0.877 . . . . 99.99 110.427 -170.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -176.13 141.56 0.45 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.178 0.991 . . . . 99.99 110.996 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 20.5 p -137.72 164.28 29.26 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.802 1.241 . . . . 99.99 109.472 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.6 151.65 18.6 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 123.213 0.321 . . . . 89.58 113.733 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 127' ' ' ASN . 12.4 m -122.86 -170.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.081 0.952 . . . . 99.99 109.238 174.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' C' ' 13' ' ' ILE . 26.2 tttm -168.61 178.61 4.65 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.012 0.82 . . . . 99.99 108.805 164.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 91.8 m 71.91 117.38 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.665 1.186 . . . . 99.99 112.786 173.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -95.82 157.19 16.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.606 1.163 . . . . 99.99 110.6 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . 0.658 ' HB2' ' HA ' ' A' ' 105' ' ' ILE . 2.6 p-10 -96.41 178.78 5.25 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.79 0.836 . . . . 99.99 111.803 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.05 100.01 1.33 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 110.395 -1.082 . . . . 99.99 110.395 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -85.56 151.78 23.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.442 0.697 . . . . 99.99 110.673 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -126.86 -70.68 0.71 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.07 0.548 . . . . 99.99 110.671 -175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 168.29 -164.84 38.34 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.729 -0.669 . . . . 99.99 111.825 -174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.85 156.98 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.254 0.622 . . . . 99.99 109.405 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.626 ' HB2' HE21 ' A' ' 12' ' ' GLN . 35.6 t70 -142.59 112.69 7.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 147.65 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.582 0.753 . . . . 99.99 110.653 -173.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -83.54 136.73 34.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -65.32 133.63 51.84 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.522 0.514 . . . . 99.99 110.926 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.66 ' HE2' ' HB3' ' B' ' 35' ' ' ASP . 29.8 mmmt -117.72 133.28 56.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.133 0.573 . . . . 99.99 112.338 -174.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -81.64 162.36 23.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.905 0.882 . . . . 99.99 109.796 171.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -92.16 104.63 11.28 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.673 1.189 . . . . 99.99 110.387 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.44 86.19 1.7 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.443 2.096 . . . . 99.99 111.384 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 38.4 p -92.52 -67.7 0.84 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.471 0.708 . . . . 99.99 109.996 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 11.0 tp -83.3 -6.58 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.315 0.646 . . . . 99.99 111.244 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.58 -43.72 89.58 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.576 0.75 . . . . 99.99 110.633 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -145.73 138.44 25.81 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.044 0.537 . . . . 99.99 110.291 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 57.4 ttp -145.01 106.74 4.26 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.52 81.09 6.86 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.71 0.766 . . . . 99.99 110.839 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -79.24 -22.62 44.54 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 114.728 -1.124 . . . . 99.99 110.37 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.7 53.58 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.988 1.315 . . . . 99.99 114.418 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -67.04 -24.41 65.99 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.36 0.664 . . . . 99.99 111.93 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -72.23 78.4 0.68 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.817 -0.513 . . . . 99.99 111.817 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.23 -16.09 62.48 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.398 1.079 . . . . 99.99 112.306 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 77.29 160.8 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.367 1.467 . . . . 99.99 113.66 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 m 72.41 138.3 0.05 Allowed 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 125.536 1.534 . . . . 99.99 112.043 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -112.63 -156.74 12.83 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.929 -0.578 . . . . 99.99 112.703 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.27 88.39 0.44 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.675 0.79 . . . . 99.99 109.492 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.38 10.11 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.83 0.852 . . . . 99.99 110.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 34.1 p -130.31 17.22 5.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.834 0.853 . . . . 99.99 110.746 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 48.6 p 51.36 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.43 1.892 . . . . 99.99 113.87 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -105.0 -47.38 4.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.918 0.887 . . . . 99.99 108.78 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' E' ' 319' ' ' PRO . 11.7 mm-40 68.64 177.62 0.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.452 1.501 . . . . 99.99 112.866 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' E' ' 319' ' ' PRO . 7.1 mp -76.37 140.01 41.22 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.918 0.487 . . . . 99.99 110.193 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.591 ' HA ' ' HB2' ' E' ' 317' ' ' SER . 15.0 pt20 -70.5 95.64 1.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.535 0.683 . . . . 99.99 109.486 172.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -144.49 -51.7 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.757 0.823 . . . . 99.99 109.367 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 64.58 -106.45 0.15 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.431 1.093 . . . . 99.99 109.302 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 85.7 m 63.6 141.94 0.06 OUTLIER Pre-proline 0 CA--C 1.569 1.706 0 C-N-CA 124.475 1.11 . . . . 99.99 112.479 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.26 -165.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.7 2.267 . . . . 99.99 113.394 170.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.28 67.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.406 0.683 . . . . 99.99 111.666 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 52.68 86.78 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.439 1.495 . . . . 99.99 112.728 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 119.3 30.24 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 173.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.27 136.65 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.255 0.622 . . . . 99.99 110.641 -167.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 54.13 -70.08 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.574 1.95 . . . . 99.99 114.796 168.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -48.8 -52.58 23.23 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.93 1.292 . . . . 99.99 112.12 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 87.7 t 60.66 -75.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 125.114 1.366 . . . . 99.99 111.952 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 3.8 m 63.89 35.47 10.91 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.654 1.181 . . . . 99.99 111.31 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.6 t -98.33 -8.68 26.65 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.894 -0.594 . . . . 99.99 111.386 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -159.39 153.58 23.66 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.621 0.769 . . . . 99.99 109.605 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -78.96 87.56 4.78 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.137 0.575 . . . . 99.99 110.998 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 56.7 m 68.44 -68.78 0.16 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.754 1.621 . . . . 99.99 113.129 170.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 58.7 t80 69.62 26.8 4.92 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.686 1.194 . . . . 99.99 111.127 174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -129.0 157.61 21.68 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-O 119.376 -0.68 . . . . 99.99 112.375 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.73 156.32 66.48 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.182 2.588 . . . . 99.99 111.985 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.0 t -87.2 7.46 28.23 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.325 0.65 . . . . 99.99 111.272 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 66.26 19.11 11.04 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.635 1.174 . . . . 99.99 111.333 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.4 m 62.03 -79.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.112 1.365 . . . . 99.99 110.916 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 28.9 t -165.65 -165.42 0.83 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.247 1.419 . . . . 99.99 107.495 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.12 -45.01 0.85 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.762 -1.199 . . . . 99.99 107.762 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -153.32 151.23 29.75 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.807 -1.542 . . . . 99.99 107.49 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.2 m 66.83 86.73 0.13 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.501 1.12 . . . . 99.99 109.753 -172.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -72.3 83.92 1.2 Allowed 'Trans proline' 0 C--N 1.382 2.335 0 C-N-CA 123.254 2.636 . . . . 99.99 111.031 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.71 122.06 0.89 Allowed Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.787 -0.642 . . . . 99.99 111.577 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -157.7 122.14 4.28 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.312 -0.995 . . . . 99.99 108.312 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.15 105.18 1.03 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.761 0.824 . . . . 99.99 112.119 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 92.9 mt 54.94 25.26 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.288 1.435 . . . . 99.99 111.827 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 63.76 -77.77 0.03 OUTLIER 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.969 1.308 . . . . 99.99 109.5 -169.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -157.04 15.54 0.28 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.777 0.831 . . . . 99.99 110.628 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.01 -123.89 34.45 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 119.978 -0.346 . . . . 99.99 112.349 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 71.56 168.83 9.81 Favored Glycine 0 C--N 1.349 1.271 0 N-CA-C 114.301 0.48 . . . . 99.99 114.301 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -136.34 -29.14 0.99 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.894 0.878 . . . . 99.99 111.374 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 64.19 -100.17 0.38 Allowed Glycine 0 C--N 1.343 0.949 0 N-CA-C 110.548 -1.021 . . . . 99.99 110.548 -167.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 20.2 t 76.28 -41.39 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.109 1.764 . . . . 99.99 113.035 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.1 mt -78.66 80.6 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 124.612 1.165 . . . . 99.99 108.881 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 38.2 p -125.51 3.25 7.64 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.681 1.193 . . . . 99.99 110.545 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -20.15 65.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.021 0.929 . . . . 99.99 111.844 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -68.53 -27.41 66.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.113 0.565 . . . . 99.99 111.213 171.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 17.1 tp -104.76 9.89 34.8 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.65 0.78 . . . . 99.99 110.733 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 37.7 tp -57.69 120.44 8.37 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.358 0.663 . . . . 99.99 109.849 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 56.17 80.74 0.14 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.317 1.047 . . . . 99.99 109.614 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.29 22.49 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.511 -0.768 . . . . 99.99 109.803 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.76 141.67 28.7 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.64 161.07 0.23 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.851 1.261 . . . . 99.99 111.446 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.84 -71.6 0.37 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.27 0.628 . . . . 99.99 109.801 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.409 HG22 HD13 ' E' ' 226' ' ' LEU . 9.4 p -133.01 143.0 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 172.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 11.6 p -113.81 80.93 1.44 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.895 0.878 . . . . 99.99 110.062 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . 0.409 HD13 HG22 ' E' ' 224' ' ' VAL . 6.3 mp -112.41 -2.33 14.77 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.043 1.337 . . . . 99.99 110.125 172.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 78.82 16.12 79.59 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.437 0.461 . . . . 99.99 112.668 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 159.2 -59.61 0.32 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.809 -0.916 . . . . 99.99 110.809 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' B' ' 6' ' ' ASN . . . 147.38 -155.21 26.4 Favored Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.928 -0.469 . . . . 99.99 111.928 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -82.31 -36.16 27.23 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 99.99 110.758 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 68.93 -70.61 0.13 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.279 1.431 . . . . 99.99 111.345 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 9.0 t -136.79 6.2 2.91 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.955 0.902 . . . . 99.99 110.771 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 90.7 t80 62.46 -81.71 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.929 1.292 . . . . 99.99 110.564 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -82.05 118.13 22.78 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.599 -1.26 . . . . 99.99 107.599 172.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.8 128.1 34.87 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.906 0.754 . . . . 99.99 110.047 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 10.3 m 67.61 6.18 4.84 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.497 1.119 . . . . 99.99 112.338 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.13 34.79 23.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.189 0.996 . . . . 99.99 110.679 -173.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.612 ' HA ' HD21 ' E' ' 332' ' ' LEU . 66.5 m 75.34 -61.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.847 1.659 . . . . 99.99 112.744 175.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.37 -65.98 1.1 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.024 0.53 . . . . 99.99 110.625 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 151.85 -159.64 28.41 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 116.353 -0.385 . . . . 99.99 112.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -93.54 68.67 4.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.111 0.965 . . . . 99.99 111.768 -173.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 72.6 m95 63.29 122.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.897 1.279 . . . . 99.99 113.303 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -143.27 115.78 8.59 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.565 1.146 . . . . 99.99 108.021 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 168.68 -126.2 1.36 Allowed Glycine 0 C--N 1.354 1.529 0 C-N-CA 121.536 -0.364 . . . . 99.99 113.642 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -67.3 136.91 55.61 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.732 0.813 . . . . 99.99 112.983 -171.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 3.8 t -175.43 -61.8 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.095 1.497 . . . . 99.99 110.444 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.09 72.41 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.864 0.866 . . . . 99.99 113.235 -165.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.87 -30.35 58.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 117.851 0.296 . . . . 99.99 110.981 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -74.5 -36.02 63.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.599 0.562 . . . . 99.99 110.485 -176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.8 -29.54 66.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.734 0.414 . . . . 99.99 110.369 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -79.07 -13.86 59.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.214 1.006 . . . . 99.99 112.766 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -57.93 -35.7 71.46 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.418 0.687 . . . . 99.99 112.27 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -71.77 -26.23 62.36 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.185 0.594 . . . . 99.99 111.392 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 63.24 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.806 1.642 . . . . 99.99 110.907 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -140.76 -140.97 3.93 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.236 -0.746 . . . . 99.99 111.236 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -131.88 -31.43 1.52 Allowed 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.201 1.001 . . . . 99.99 110.241 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 58.67 -140.39 0.74 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 117.86 -1.067 . . . . 99.99 109.208 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 tt 69.59 -69.92 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.994 1.318 . . . . 99.99 108.742 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.6 -64.69 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 168.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 37.5 m 73.37 -43.38 0.55 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.777 1.631 . . . . 99.99 114.626 168.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 37.1 t70 52.97 61.46 3.17 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.364 1.078 . . . . 99.99 109.179 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.66 49.74 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.091 -1.413 . . . . 99.99 112.069 -174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -52.34 -51.89 56.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.238 1.415 . . . . 99.99 113.703 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 47.1 t -126.27 -57.56 1.39 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.343 0.657 . . . . 99.99 111.268 -170.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.94 23.01 13.19 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.691 1.197 . . . . 99.99 109.357 -172.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 12.1 t30 52.48 89.84 0.03 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.493 1.517 . . . . 99.99 111.304 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 7.3 m 59.18 -85.12 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.005 1.322 . . . . 99.99 111.123 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 12.8 p -171.25 27.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.653 1.581 . . . . 99.99 107.889 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 70.0 p 53.68 26.69 6.08 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 126.249 1.82 . . . . 99.99 113.138 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -170.79 111.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.776 0.83 . . . . 99.99 109.297 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.03 -61.15 2.86 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.691 0.796 . . . . 99.99 112.781 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -114.83 -60.47 1.88 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.55 -0.537 . . . . 99.99 109.55 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 178.95 175.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.795 1.238 . . . . 99.99 108.365 -176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -74.03 13.23 0.56 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.174 0.99 . . . . 99.99 112.272 171.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -60.51 166.47 4.21 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 125.256 1.422 . . . . 99.99 112.101 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.15 119.41 4.42 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 122.921 2.414 . . . . 99.99 111.972 167.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.37 -54.48 0.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.744 -0.662 . . . . 99.99 109.57 -168.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' C' ' 94' ' ' MET . 1.4 pp -151.95 -174.38 4.84 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.228 0.611 . . . . 99.99 112.299 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 109.5 61.65 0.52 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.275 -0.875 . . . . 99.99 112.525 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.41 ' O ' HD22 ' C' ' 98' ' ' LEU . 3.8 pp -149.21 142.25 24.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 110.06 -0.348 . . . . 99.99 110.06 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.487 ' HD1' HG22 ' C' ' 46' ' ' THR . 77.1 m-85 -116.46 100.64 8.0 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 170.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -70.31 98.32 1.37 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.169 0.588 . . . . 99.99 110.222 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.83 -35.02 77.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.163 0.985 . . . . 99.99 111.381 -177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 70.81 -85.04 0.37 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.26 30.52 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.428 1.091 . . . . 99.99 108.677 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.8 107.98 1.72 Allowed Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 109.446 -0.575 . . . . 99.99 109.446 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.52 103.24 1.57 Allowed 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.399 2.066 . . . . 99.99 110.862 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.78 79.42 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.756 0.788 . . . . 99.99 109.136 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.68 130.26 39.69 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.464 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 7.8 m95 -76.35 178.63 6.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.164 0.983 . . . . 99.99 113.505 -171.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.464 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 0.0 OUTLIER -155.86 175.28 14.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.914 -1.494 . . . . 99.99 109.776 -174.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 168.35 134.81 1.78 Allowed Glycine 0 C--N 1.344 1.006 0 CA-C-O 118.821 -0.988 . . . . 99.99 112.34 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.24 -28.19 55.81 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.968 2.445 . . . . 99.99 112.303 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -159.53 13.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.545 -1.207 . . . . 99.99 109.255 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 67.9 167.55 0.25 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.173 1.389 . . . . 99.99 112.043 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.412 ' OG1' HD13 ' C' ' 126' ' ' LEU . 21.4 m -80.26 -76.18 0.23 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.492 0.717 . . . . 99.99 110.358 -178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -83.48 78.22 9.69 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.551 -0.907 . . . . 99.99 108.551 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -155.19 119.23 4.61 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.657 -0.701 . . . . 99.99 109.541 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 154.35 -155.98 26.55 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.609 -0.596 . . . . 99.99 111.609 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.4 106.22 8.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.856 -0.794 . . . . 99.99 108.856 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.504 ' HB ' ' CH2' ' C' ' 36' ' ' TRP . 61.6 mt -126.5 98.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.512 -0.921 . . . . 99.99 108.512 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -138.88 -17.78 1.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.299 1.04 . . . . 99.99 109.696 170.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.636 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 0.1 OUTLIER -109.52 102.75 50.89 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.743 1.217 . . . . 99.99 110.22 -172.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -88.36 -83.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.658 2.239 . . . . 99.99 110.093 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.739 ' HB1' ' HG3' ' E' ' 2' ' ' LYS . . . 52.28 74.77 0.26 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.975 1.31 . . . . 99.99 113.573 165.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.73 108.14 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.456 0.702 . . . . 99.99 110.09 -176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 44.5 p -137.97 152.22 48.7 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.168 0.987 . . . . 99.99 110.571 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 63.5 m -145.39 119.05 9.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.327 0.651 . . . . 99.99 109.407 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 9.1 t -66.57 143.52 98.21 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 123.934 0.894 . . . . 99.99 111.465 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.56 170.82 19.42 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.964 2.442 . . . . 99.99 112.946 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.556 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 7.1 p30 -176.01 -30.45 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.608 0 C-N-CA 124.65 1.18 . . . . 99.99 112.844 -170.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 58.5 Cg_endo -84.5 45.46 1.71 Allowed 'Trans proline' 0 C--N 1.412 3.883 0 CA-C-N 122.807 2.038 . . . . 99.99 110.293 168.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.69 51.49 1.16 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.006 1.322 . . . . 99.99 110.252 -168.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -150.04 116.16 5.68 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.712 -1.131 . . . . 99.99 110.247 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.86 -171.28 3.34 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 125.676 1.59 . . . . 99.99 107.016 169.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -146.76 73.29 1.31 Allowed 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.369 0.604 . . . . 99.99 110.539 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 70.9 m -144.49 148.19 34.22 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.381 -0.827 . . . . 99.99 109.315 169.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.63 145.68 30.89 Favored Pre-proline 0 N--CA 1.489 1.497 0 C-N-CA 123.089 0.556 . . . . 99.99 110.908 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . 0.566 ' HB3' ' HB2' ' E' ' 173' ' ' LEU . 72.0 Cg_endo -82.37 118.05 2.86 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.677 2.252 . . . . 99.99 112.338 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 57.5 p -120.86 -73.78 0.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.551 0.74 . . . . 99.99 110.761 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 34.8 tp -103.6 -22.66 13.56 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.413 0.685 . . . . 99.99 112.677 -168.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -65.01 -9.78 24.45 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -20.43 60.21 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.921 0.889 . . . . 99.99 110.453 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 98.3 mmm 76.74 -65.94 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.056 1.742 . . . . 99.99 112.094 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 26.5 m 65.46 -81.09 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 125.161 1.384 . . . . 99.99 112.281 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.22 -57.93 10.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.243 1.017 . . . . 99.99 111.274 -173.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' E' ' 331' ' ' LEU . 1.4 tmtm? -75.56 18.02 0.25 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.988 0.915 . . . . 99.99 112.76 -170.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -83.01 -59.94 2.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.407 0.683 . . . . 99.99 109.847 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 41.4 pt -86.84 -27.03 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.125 0.57 . . . . 99.99 110.94 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.85 -8.59 58.27 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.466 1.107 . . . . 99.99 110.23 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.622 ' HA ' ' HD3' ' E' ' 327' ' ' LYS . 6.3 tt -47.88 -63.61 1.02 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.953 1.301 . . . . 99.99 111.226 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' E' ' 238' ' ' THR . 1.3 tt -158.54 -63.84 0.08 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.665 -0.865 . . . . 99.99 108.665 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.1 t 65.32 -176.52 0.18 Allowed 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.534 1.146 . . . . 99.99 109.775 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' E' ' 120' ' ' TYR . 23.3 mmtp -147.42 106.53 3.87 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.465 -0.569 . . . . 99.99 109.465 177.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -147.4 165.93 28.71 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.562 1.145 . . . . 99.99 109.434 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' E' ' 384' ' ' THR . 10.3 tp10 -71.73 126.31 29.38 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.195 0.598 . . . . 99.99 110.088 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 64.85 25.1 12.83 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.494 1.117 . . . . 99.99 111.263 -170.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.9 81.43 1.28 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.795 -1.322 . . . . 99.99 109.795 170.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.0 t80 72.66 131.19 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.909 1.684 . . . . 99.99 109.838 -166.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -66.65 101.88 0.85 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.561 0.744 . . . . 99.99 110.048 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . 0.498 HD13 ' N ' ' E' ' 342' ' ' GLN . 0.8 OUTLIER -148.94 152.98 37.32 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.677 -0.86 . . . . 99.99 108.677 -176.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . 0.498 ' N ' HD13 ' E' ' 341' ' ' LEU . 63.1 tt0 -60.67 108.08 0.78 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.289 1.036 . . . . 99.99 110.905 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.73 167.84 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 123.774 0.829 . . . . 99.99 110.873 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -66.68 116.14 7.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.894 0.478 . . . . 99.99 110.385 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.03 21.61 0.07 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 123.841 0.713 . . . . 99.99 112.238 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -87.54 -49.14 7.38 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.616 0.766 . . . . 99.99 110.272 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 26.4 m -81.59 104.66 12.16 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.074 -0.967 . . . . 99.99 109.887 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . 0.502 HD13 ' H ' ' E' ' 348' ' ' ILE . 0.2 OUTLIER -71.77 156.78 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.957 0.503 . . . . 99.99 110.332 172.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.89 104.64 2.12 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.491 -0.777 . . . . 99.99 111.356 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 64.26 -81.36 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.491 1.517 . . . . 99.99 112.814 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -71.1 109.34 5.11 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.011 0.524 . . . . 99.99 111.634 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.89 -60.43 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.819 -1.082 . . . . 99.99 109.509 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -93.51 -27.72 16.5 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.362 0.665 . . . . 99.99 110.991 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.47 -87.16 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.11 1.364 . . . . 99.99 111.78 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 56.4 87.01 0.06 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.928 1.291 . . . . 99.99 112.635 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -78.67 -31.86 0.78 Allowed Pre-proline 0 CA--C 1.573 1.864 0 CA-C-O 117.436 -1.269 . . . . 99.99 113.429 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.38 90.48 0.27 Allowed 'Trans proline' 0 C--N 1.407 3.644 0 CA-C-N 122.643 1.98 . . . . 99.99 112.343 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.0 m -133.9 -2.71 2.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.027 0.931 . . . . 99.99 111.072 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -82.3 -17.16 69.74 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-O 119.255 -0.747 . . . . 99.99 113.61 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.63 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 125.055 1.342 . . . . 99.99 109.571 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 4.0 tt -117.59 -42.21 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 99.99 108.983 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . 0.572 ' HA3' ' HB ' ' E' ' 365' ' ' VAL . . . 81.94 -65.28 4.08 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.25 -0.886 . . . . 99.99 111.417 -173.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 60.73 104.48 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.153 1.381 . . . . 99.99 110.42 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 7.7 m 64.08 38.22 8.59 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.912 1.339 . . . . 99.99 108.339 -166.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . 0.572 ' HB ' ' HA3' ' E' ' 362' ' ' GLY . 13.9 p -77.11 148.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 113.925 -1.489 . . . . 99.99 110.156 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.47 113.04 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.294 -0.632 . . . . 99.99 109.294 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.77 -6.11 50.91 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.963 0.905 . . . . 99.99 111.202 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -56.55 -29.51 62.05 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.917 1.287 . . . . 99.99 111.736 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.91 -23.29 67.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.277 1.031 . . . . 99.99 112.115 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.59 67.53 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.931 0.893 . . . . 99.99 113.176 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.32 -19.72 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.228 0.611 . . . . 99.99 112.022 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.53 -18.31 51.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.26 1.024 . . . . 99.99 112.411 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.68 -24.65 67.64 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 99.99 111.825 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.69 74.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.94 0.496 . . . . 99.99 110.741 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.21 -27.57 60.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.451 0.701 . . . . 99.99 110.842 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.13 -40.26 90.51 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.301 0.641 . . . . 99.99 110.034 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.53 -27.57 64.26 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.692 -0.685 . . . . 99.99 110.813 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.4 -16.58 64.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.851 0.46 . . . . 99.99 111.933 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -86.4 1.53 50.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.876 0.87 . . . . 99.99 112.586 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.78 -46.15 76.22 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 110.132 -0.321 . . . . 99.99 110.132 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 66.5 118.29 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.781 1.301 . . . . 99.99 111.195 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -74.15 80.37 0.85 Allowed Glycine 0 C--N 1.345 1.068 0 N-CA-C 109.086 -1.606 . . . . 99.99 109.086 168.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.5 84.92 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.168 1.387 . . . . 99.99 112.159 -167.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . 0.464 HG21 ' HG2' ' E' ' 336' ' ' GLU . 11.2 m 54.07 -66.14 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.586 2.354 . . . . 99.99 114.435 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 87.0 mt 81.61 -55.83 0.26 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.56 1.944 . . . . 99.99 110.314 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.02 149.85 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.466 0.706 . . . . 99.99 110.76 173.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . 0.579 ' H ' HD13 ' E' ' 387' ' ' ILE . 0.2 OUTLIER -116.44 143.71 25.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 C-N-CA 123.562 0.745 . . . . 99.99 109.379 177.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.51 152.52 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 109.103 -0.702 . . . . 99.99 109.103 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.8 t -99.96 160.97 13.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.999 0.52 . . . . 99.99 111.308 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -138.75 92.34 2.61 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.765 0.826 . . . . 99.99 109.28 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.22 149.51 33.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.563 0.745 . . . . 99.99 110.32 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -117.91 -178.77 3.57 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.64 0.776 . . . . 99.99 110.297 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -74.45 88.33 2.1 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.217 0.532 . . . . 99.99 111.336 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.79 -38.01 14.98 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.204 1.002 . . . . 99.99 110.947 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.59 143.9 34.33 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.297 0.639 . . . . 99.99 109.301 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.2 t -81.9 -60.38 2.25 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 122.507 0.323 . . . . 99.99 110.471 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' E' ' 402' ' ' ASP . 22.4 mm-40 59.33 -164.85 0.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.574 1.15 . . . . 99.99 111.136 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . 0.44 HG22 HG23 ' E' ' 399' ' ' VAL . 57.8 mt 69.15 154.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 124.637 1.175 . . . . 99.99 111.381 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.622 ' HA ' ' HA3' ' E' ' 407' ' ' GLY . 24.8 t 62.06 65.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.177 1.391 . . . . 99.99 109.2 -176.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . 0.273 . . 101.34 -72.3 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.691 0 C-N-CA 127.9 2.48 . . . . 99.99 112.676 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.58 128.24 12.46 Favored 'Trans proline' 0 C--N 1.398 3.173 0 CA-C-N 122.847 2.052 . . . . 99.99 112.152 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' E' ' 397' ' ' GLN . 25.6 t70 64.76 126.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.162 1.385 . . . . 99.99 112.479 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 29.4 m 77.25 -49.05 0.53 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.535 1.534 . . . . 99.99 111.36 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 78.15 -54.45 0.5 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.004 1.722 . . . . 99.99 112.252 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' E' ' 406' ' ' PRO . . . -46.76 -48.96 49.61 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.902 1.281 . . . . 99.99 114.084 -172.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' E' ' 405' ' ' ALA . 6.2 Cg_exo -75.93 85.57 1.62 Allowed 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 121.752 1.635 . . . . 99.99 109.583 171.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . 0.622 ' HA3' ' HA ' ' E' ' 399' ' ' VAL . . . 147.62 -23.39 1.5 Allowed Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.842 -0.617 . . . . 99.99 112.802 -176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.427 HD13 ' NE2' ' E' ' 410' ' ' GLN . 87.0 mt -69.62 -60.51 2.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.863 0.465 . . . . 99.99 110.602 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 29.4 m 58.82 86.67 0.08 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.203 1.001 . . . . 99.99 111.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . 0.427 ' NE2' HD13 ' E' ' 408' ' ' LEU . 29.1 pt20 -160.78 149.4 16.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.898 0.479 . . . . 99.99 111.191 -172.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 61.93 10.0 3.32 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.941 1.296 . . . . 99.99 113.676 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 1.5 pp -88.68 -7.54 56.16 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.373 0.669 . . . . 99.99 111.454 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 65.8 t30 68.18 170.88 0.28 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.387 1.475 . . . . 99.99 111.222 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.5 t -100.23 -176.42 3.22 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.566 -0.708 . . . . 99.99 109.609 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.55 37.6 0.75 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 99.99 111.406 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.04 -33.72 29.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 99.99 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.03 76.54 1.04 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.513 0.508 . . . . 99.99 113.599 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -73.25 94.44 2.0 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.968 0.907 . . . . 99.99 110.334 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 19.4 t 60.02 22.9 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.662 0 C-N-CA 124.766 1.226 . . . . 99.99 110.309 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 53.49 37.23 25.22 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.838 1.255 . . . . 99.99 111.383 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.57 84.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.426 1.49 . . . . 99.99 111.495 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 18.8 ttt 57.8 23.18 9.34 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.262 1.425 . . . . 99.99 112.774 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 28.0 t -91.51 -179.75 5.45 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 109.217 -0.66 . . . . 99.99 109.217 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 62.81 110.18 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.753 1.221 . . . . 99.99 112.553 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 86.72 -54.18 4.59 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.743 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.39 84.16 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.664 1.185 . . . . 99.99 110.849 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.0 p 174.53 -44.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.913 1.685 . . . . 99.99 108.025 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . 0.713 ' HB3' ' H ' ' E' ' 435' ' ' THR . 1.6 mp0 64.07 8.55 4.07 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.569 1.548 . . . . 99.99 112.658 -175.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -85.15 -5.93 59.31 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.758 0.823 . . . . 99.99 112.739 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -51.68 -61.45 2.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.548 1.139 . . . . 99.99 113.354 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 16.8 m -87.27 -63.6 1.28 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.606 -0.27 . . . . 99.99 111.347 -173.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -96.11 -67.95 0.82 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.422 0.527 . . . . 99.99 112.422 -175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 176.95 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.85 1.26 . . . . 99.99 108.765 -166.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -160.85 118.57 2.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.451 -1.314 . . . . 99.99 107.451 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.713 ' H ' ' HB3' ' E' ' 428' ' ' GLU . 24.8 m -69.33 85.32 0.4 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.032 0.933 . . . . 99.99 110.19 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.74 49.98 0.5 Allowed Glycine 0 C--N 1.339 0.7 0 CA-C-N 114.83 -1.077 . . . . 99.99 110.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 61.1 p 46.59 80.38 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.653 1.581 . . . . 99.99 112.065 -174.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -43.11 15.07 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.826 -1.079 . . . . 99.99 110.072 -172.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.59 -47.6 39.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.732 0.813 . . . . 99.99 110.992 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 77.8 -25.97 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.802 1.641 . . . . 99.99 111.844 -170.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.0 mp 78.0 -39.92 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 125.96 1.704 . . . . 99.99 111.552 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -58.68 116.01 3.43 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.459 1.103 . . . . 99.99 111.09 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -132.84 -53.03 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.746 0.818 . . . . 99.99 109.67 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 61.95 -173.94 0.14 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.465 1.106 . . . . 99.99 111.062 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' E' ' 446' ' ' PRO . . . -160.62 139.48 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.918 -0.935 . . . . 99.99 110.924 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' E' ' 445' ' ' GLY . 22.5 Cg_exo -68.74 125.5 12.76 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.517 2.144 . . . . 99.99 111.622 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -89.17 -30.04 18.86 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.547 0.529 . . . . 99.99 110.755 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 56.14 -164.66 0.14 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 118.195 -0.907 . . . . 99.99 111.508 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.67 122.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.596 1.158 . . . . 99.99 111.273 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.63 -32.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.063 0.945 . . . . 99.99 110.901 163.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.47 HG12 HG13 ' E' ' 452' ' ' VAL . 97.1 t -67.25 -89.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 122.79 0.436 . . . . 99.99 111.394 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.47 HG13 HG12 ' E' ' 451' ' ' VAL . 15.7 m -88.72 -27.37 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.095 0.558 . . . . 99.99 111.17 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 98.34 -103.35 2.78 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-O 119.391 -0.672 . . . . 99.99 111.556 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 56' ' ' TYR . 4.2 tt 60.43 89.23 0.07 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.876 1.27 . . . . 99.99 108.463 -167.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 91.6 m -108.27 107.07 17.52 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.688 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.0 t70 67.34 -84.48 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.637 1.175 . . . . 99.99 112.82 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -111.68 179.79 3.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.111 0.564 . . . . 99.99 112.521 -165.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 8.8 t -148.11 162.34 39.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.519 1.128 . . . . 99.99 109.434 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -114.09 112.77 23.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.482 0.713 . . . . 99.99 110.097 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 4.6 pp -79.58 145.3 33.18 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.134 -0.691 . . . . 99.99 109.134 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -95.2 -34.32 12.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 119.104 -0.474 . . . . 99.99 111.396 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 71.0 155.84 0.15 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.853 0.861 . . . . 99.99 111.936 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . 0.55 HG22 ' HD3' ' E' ' 465' ' ' LYS . 0.0 OUTLIER -171.34 98.56 0.2 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.626 1.17 . . . . 99.99 108.954 168.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 23.5 mmt -101.6 37.24 1.85 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.333 0.653 . . . . 99.99 109.847 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' E' ' 463' ' ' THR . 4.0 mptp? -88.54 41.02 0.99 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.076 0.951 . . . . 99.99 109.394 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -155.62 145.04 20.99 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.222 1.009 . . . . 99.99 109.59 -170.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.46 169.77 22.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 99.99 109.736 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.7 pp -158.32 158.12 33.74 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.538 0.735 . . . . 99.99 109.699 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.27 141.74 25.31 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 110.505 -1.038 . . . . 99.99 110.505 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.528 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 3.1 tm? -59.32 -37.66 78.33 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.013 0.925 . . . . 99.99 110.905 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 C-N-CA 124.017 0.927 . . . . 99.99 110.553 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.652 -0.869 . . . . 99.99 108.652 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -98.57 2.79 47.76 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.159 0.584 . . . . 99.99 110.622 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 161.29 31.19 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.672 0.789 . . . . 99.99 109.241 173.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 66.56 15.16 10.03 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.157 0.983 . . . . 99.99 109.711 -166.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.27 102.15 0.02 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.628 1.571 . . . . 99.99 111.209 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' C' ' 151' ' ' GLU . 2.2 m-20 73.19 174.61 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 125.111 1.364 . . . . 99.99 111.66 177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.3 p -91.53 46.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.49 0.716 . . . . 99.99 111.643 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.95 -26.0 64.84 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 167.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.46 137.39 48.43 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.463 1.105 . . . . 99.99 110.624 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -138.92 116.98 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.517 -1.29 . . . . 99.99 107.517 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -135.63 118.16 15.88 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -137.1 135.82 37.78 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.331 0.652 . . . . 99.99 109.811 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 16' ' ' ILE . 72.6 mt -69.2 123.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.412 -0.813 . . . . 63.61 109.077 173.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 85' ' ' SER . 31.4 tt0 -106.34 -21.87 12.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.578 0.751 . . . . 99.99 110.015 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 179.92 143.7 0.17 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.402 1.081 . . . . 87.02 109.105 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 HD13 ' A' ' 13' ' ' ILE . 96.5 mt -134.28 133.57 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 124.103 0.961 . . . . 27.8 108.959 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -163.89 150.9 11.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.904 0.882 . . . . 37.37 111.102 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 114.98 22.51 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.145 -0.687 . . . . 12.57 109.145 173.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -83.19 -32.74 26.41 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.69 0.281 . . . . 37.56 110.472 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 11.7 t70 -148.79 140.51 23.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.29 -1.004 . . . . 38.09 108.29 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.1 mt -140.04 145.99 25.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 107.163 -1.421 . . . . 5.43 107.163 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -153.68 148.22 26.19 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 123.909 0.883 . . . . 6.92 108.798 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 75.3 t80 -150.04 135.11 17.9 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.822 -1.548 . . . . 5.61 106.822 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -137.6 128.85 27.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.392 -1.336 . . . . 36.27 107.392 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.1 88.74 50.45 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 123.015 0.526 . . . . 12.68 109.746 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' HB ' ' A' ' 72' ' ' THR . 23.3 Cg_exo -66.96 -30.67 39.17 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.943 2.429 . . . . 32.78 112.336 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -88.82 9.38 24.86 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 118.211 -0.899 . . . . 80.05 111.902 177.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . . . -56.28 -48.15 97.5 Favored Pre-proline 0 N--CA 1.491 1.618 0 CA-C-N 118.675 0.67 . . . . 31.49 112.701 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 8.0 Cg_exo -76.1 -17.68 17.02 Favored 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 121.99 1.794 . . . . 44.68 112.517 172.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -93.08 -13.58 28.39 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.612 0.765 . . . . 99.99 111.827 -167.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' ASN . 86.9 t -56.64 -34.06 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.383 0.673 . . . . 99.99 111.314 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.12 -38.99 84.68 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.227 1.011 . . . . 99.99 111.892 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -89.11 -46.15 9.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.441 0.696 . . . . 99.99 110.779 -175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' HD22 ' A' ' 68' ' ' LEU . 52.4 mtpt -83.66 161.48 21.07 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.564 0.745 . . . . 99.99 112.305 -169.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.94 152.85 22.62 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.749 -1.114 . . . . 99.99 110.234 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -79.7 78.58 6.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.623 0.769 . . . . 99.99 109.692 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -139.53 68.02 37.88 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.858 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -89.52 152.63 5.3 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.757 2.305 . . . . 57.34 112.172 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -96.99 114.49 26.11 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.67 -1.233 . . . . 99.99 107.67 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' HB1' ' E' ' 466' ' ' ALA . 38.6 t -80.88 123.52 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 123.835 0.854 . . . . 48.36 110.438 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.754 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -120.04 147.34 44.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.614 1.165 . . . . 99.99 108.613 171.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 128' ' ' LEU . 59.7 tp -127.55 111.3 13.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.247 1.019 . . . . 97.85 109.086 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.86 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.9 m-20 -101.94 112.53 25.19 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.077 -1.453 . . . . 85.15 107.077 174.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 44' ' ' LEU . 2.1 pt? -112.42 133.66 54.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.451 0.701 . . . . 99.99 109.373 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 26.2 t70 -146.84 148.63 32.05 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.761 0.824 . . . . 78.84 109.245 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.0 m -144.89 132.0 20.43 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.682 0.793 . . . . 43.33 109.861 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.95 110.54 10.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.509 0.724 . . . . 41.53 110.05 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -90.01 152.67 21.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.723 0.809 . . . . 88.8 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -151.87 120.28 6.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.042 0.937 . . . . 73.87 109.326 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.18 108.49 10.31 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 57' ' ' GLU . 58.4 mt -80.11 -38.97 30.49 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.393 0.677 . . . . 99.99 110.037 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.56 -178.66 7.44 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 125.127 1.371 . . . . 99.99 108.554 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -60.99 111.7 1.78 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.186 0.594 . . . . 99.99 110.555 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 73.86 4.72 4.71 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.603 1.561 . . . . 99.99 113.501 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.48 105.13 17.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.795 -1.187 . . . . 99.99 107.795 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.24 124.25 51.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.258 -0.883 . . . . 99.99 108.804 -173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.558 ' HB2' HD11 ' A' ' 51' ' ' LEU . 34.9 tt0 -96.48 108.97 21.61 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.207 -1.405 . . . . 57.04 107.207 164.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.25 120.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.312 -1.736 . . . . 54.22 106.312 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 46.8 t -103.93 129.95 55.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 N-CA-C 109.242 -0.651 . . . . 29.36 109.242 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -102.03 107.82 19.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.543 -1.651 . . . . 19.86 106.543 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 65.1 ttt180 -93.75 100.34 12.57 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.37 -1.344 . . . . 99.99 107.37 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.89 137.65 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.76 -1.57 . . . . 13.6 106.76 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.86 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 8.2 m -135.8 124.31 23.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.871 -1.159 . . . . 17.22 107.871 173.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.1 110.35 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.812 0.845 . . . . 14.92 109.139 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.754 ' HB ' ' HB2' ' A' ' 41' ' ' LYS . 11.6 m -100.98 144.8 29.49 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.8 -0.815 . . . . 21.43 108.8 178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.92 132.27 23.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.181 -1.785 . . . . 23.61 106.181 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -148.89 142.25 25.19 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.172 0.442 . . . . 57.75 111.41 -175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD22 ' HE2' ' A' ' 34' ' ' LYS . 5.6 mp -105.63 85.77 2.29 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 174.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.59 -95.61 1.0 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.637 -0.71 . . . . 93.1 112.287 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -102.04 -26.8 13.26 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.569 0.748 . . . . 99.99 111.016 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 27' ' ' ASN . 33.3 tt0 -105.2 114.24 28.31 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.011 0.524 . . . . 99.99 110.251 -170.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.483 ' HB ' ' HG2' ' A' ' 26' ' ' PRO . 32.1 m -64.64 127.77 32.95 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.233 1.013 . . . . 30.12 111.681 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.75 2.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.173 0.989 . . . . 22.88 110.232 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.65 164.26 34.21 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.781 -1.1 . . . . 30.01 110.734 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 63' ' ' THR . 56.1 tp -141.66 109.04 5.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.808 1.243 . . . . 14.44 107.898 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.1 t -113.54 108.67 17.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.26 0.624 . . . . 14.43 109.51 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HB2' HG23 ' A' ' 63' ' ' THR . 40.1 tt0 -116.22 115.41 25.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.087 0.955 . . . . 35.14 109.15 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.47 109.74 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.501 0.721 . . . . 9.47 109.656 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.9 mp0 -85.61 83.75 7.8 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.293 1.037 . . . . 43.33 108.805 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -79.68 97.81 6.7 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.471 -1.24 . . . . 15.31 108.983 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -88.4 144.76 18.62 Favored Glycine 0 C--N 1.344 0.98 0 N-CA-C 111.708 -0.557 . . . . 20.02 111.708 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.619 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -146.76 129.95 3.47 Favored Glycine 0 CA--C 1.508 -0.374 0 N-CA-C 112.246 -0.342 . . . . 41.88 112.246 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.8 mt -82.26 135.74 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.202 -1.036 . . . . 66.87 108.202 173.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -136.17 140.18 43.42 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 124.729 1.211 . . . . 77.52 109.512 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB2' ' NE2' ' A' ' 14' ' ' GLN . 47.6 t -95.87 102.17 13.94 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.375 -1.343 . . . . 99.99 107.375 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 pp -110.59 151.43 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.559 0.344 . . . . 99.99 110.921 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.41 170.09 8.58 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.66 1.184 . . . . 99.99 109.613 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.51 10.93 85.94 Favored Glycine 0 C--N 1.348 1.203 0 N-CA-C 114.511 0.564 . . . . 99.99 114.511 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 pp -130.18 147.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.847 0.859 . . . . 99.99 110.354 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -154.14 171.43 19.15 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.923 -1.14 . . . . 99.99 107.923 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.47 -148.0 50.32 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 122.831 0.253 . . . . 99.99 113.536 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -63.69 -18.64 64.2 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.013 0.925 . . . . 99.99 112.189 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -67.93 -58.51 4.43 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.201 0.6 . . . . 99.99 109.598 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.03 -32.3 69.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.077 0.235 . . . . 99.99 110.84 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.48 -58.24 9.16 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.241 0.963 . . . . 99.99 110.293 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -78.69 -20.93 49.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.283 -0.871 . . . . 99.99 111.893 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.83 -43.5 94.54 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.928 0.491 . . . . 99.99 111.067 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.21 -15.47 63.39 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.502 -0.772 . . . . 99.99 111.933 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.98 4.8 20.46 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 114.305 0.482 . . . . 99.99 114.305 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.73 -67.05 0.54 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.337 0.655 . . . . 95.56 110.947 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.51 -60.48 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.022 0.529 . . . . 94.48 111.315 -170.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.38 -44.93 98.53 Favored Pre-proline 0 CA--C 1.565 1.555 0 C-N-CA 124.352 1.061 . . . . 73.2 113.331 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 40.9 Cg_endo -66.07 -34.44 37.63 Favored 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 121.581 1.521 . . . . 48.9 113.132 172.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.91 -15.38 62.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 122.01 -0.431 . . . . 94.19 110.918 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.3 mm -76.26 -30.55 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.838 0.855 . . . . 55.88 110.087 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.619 HD21 ' HA3' ' A' ' 82' ' ' GLY . 43.2 mt -82.61 -14.85 54.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 21.71 111.482 174.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 60' ' ' LEU . 28.6 t80 -63.03 -39.62 53.94 Favored Pre-proline 0 CA--C 1.56 1.36 0 CA-C-O 116.904 -1.522 . . . . 15.39 112.696 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -49.52 -44.62 34.39 Favored 'Trans proline' 0 C--N 1.393 2.889 0 C-N-CA 122.442 2.094 . . . . 9.95 114.039 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -77.11 -36.33 55.67 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.381 0.672 . . . . 20.66 111.912 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.67 79.9 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.684 -0.488 . . . . 7.34 109.684 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.59 HH12 HD12 ' C' ' 105' ' ' ILE . 33.9 ttm180 -54.9 -48.03 73.55 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.758 1.623 . . . . 15.45 110.939 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.06 -38.66 82.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.243 0.964 . . . . 46.26 111.132 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 117' ' ' MET . 42.3 t -62.95 -43.11 99.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.769 0.428 . . . . 4.41 109.921 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.19 -37.31 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.432 1.093 . . . . 7.34 110.69 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.4 m -60.12 -40.95 91.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.706 0.802 . . . . 7.28 109.755 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.6 t -71.48 -41.73 68.97 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.388 -0.824 . . . . 4.96 110.536 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.649 ' SD ' HG21 ' B' ' 21' ' ' ILE . 30.6 mmt -64.15 -46.23 84.98 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.197 0.599 . . . . 48.88 111.502 -176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.48 -36.64 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-N 116.015 -0.539 . . . . 26.6 111.125 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 96.6 p -71.27 -35.25 71.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.041 0.537 . . . . 17.97 111.624 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -68.52 -29.83 68.51 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.293 -0.867 . . . . 8.38 109.959 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.5 16.68 38.69 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.117 -0.824 . . . . 6.18 114.779 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 17' ' ' TYR . 61.9 m 71.66 9.39 6.3 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.644 1.178 . . . . 20.1 112.616 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 119' ' ' SER . 67.2 m-85 -86.55 150.53 51.39 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 107.381 -1.34 . . . . 13.71 107.381 166.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HG3' ' HA ' ' E' ' 131' ' ' TRP . 72.6 Cg_endo -70.76 -171.07 0.51 Allowed 'Trans proline' 0 CA--C 1.554 1.493 0 C-N-CA 122.244 1.963 . . . . 20.05 112.39 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.29 134.91 54.62 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.383 -0.371 . . . . 39.31 110.346 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.3 tp -126.94 95.95 4.48 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.771 -0.825 . . . . 56.76 108.771 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -95.43 92.67 6.8 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 107.328 -1.36 . . . . 38.41 107.328 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -66.74 117.77 9.35 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 107.45 -1.315 . . . . 62.97 107.45 176.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.24 149.4 82.81 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 123.293 0.637 . . . . 56.46 110.876 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -67.72 155.89 68.18 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 121.767 1.645 . . . . 77.42 110.146 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.08 127.56 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 99.99 108.8 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.616 HD22 ' HB3' ' A' ' 135' ' ' ALA . 4.4 p-10 -82.55 65.39 7.66 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.85 0.86 . . . . 99.99 111.719 -173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HE2' HD12 ' A' ' 44' ' ' LEU . 47.9 m-85 -58.76 -35.93 73.55 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 114.7 -1.137 . . . . 99.99 109.476 175.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -51.27 68.63 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.872 1.669 . . . . 99.99 112.626 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.616 ' HB3' HD22 ' A' ' 132' ' ' ASN . . . -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.212 0.605 . . . . 99.99 111.007 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' E' ' 461' ' ' PHE . 2.3 tm? -69.04 -43.06 75.45 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.218 -0.66 . . . . 99.99 109.218 173.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.6 -39.46 93.83 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.682 0.614 . . . . 99.99 110.744 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -58.34 8.69 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.014 0.821 . . . . 99.99 110.39 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.01 -46.58 78.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 123.92 0.763 . . . . 99.99 111.589 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.04 -30.12 66.22 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.649 1.58 . . . . 99.99 111.312 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.61 -13.19 39.8 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 124.36 1.064 . . . . 99.99 111.911 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -146.12 8.21 1.07 Allowed 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 124.227 1.011 . . . . 99.99 110.312 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 74.92 -51.7 0.67 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 126.128 1.771 . . . . 99.99 112.325 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -74.47 -75.67 0.16 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.484 0.714 . . . . 99.99 111.994 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -148.05 1.8 0.66 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.155 0.582 . . . . 99.99 111.999 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.29 -5.53 76.64 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 119.82 -0.433 . . . . 99.99 112.692 -172.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 67.48 -67.81 0.17 Allowed 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.954 1.702 . . . . 99.99 111.308 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.18 42.35 43.53 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 111.682 -0.567 . . . . 99.99 111.682 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.6 m 62.14 79.94 0.24 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.817 1.247 . . . . 99.99 109.772 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 153' ' ' GLN . 45.9 mm-40 49.44 40.68 19.44 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.181 1.392 . . . . 99.99 113.332 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 55.06 75.11 0.33 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.757 0.823 . . . . 99.99 110.182 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 83.07 -61.58 0.13 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.666 1.586 . . . . 99.99 111.327 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' GLU . 38.5 tt0 49.57 58.79 5.03 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.9 1.28 . . . . 99.99 110.908 -175.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -159.98 78.39 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.809 -1.182 . . . . 99.99 107.809 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 125.158 1.383 . . . . 99.99 111.189 -177.208 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 108.541 -0.911 . . . . 99.99 108.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -89.09 126.33 35.4 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 107.961 -1.125 . . . . 99.99 107.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.12 153.09 23.36 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.006 0.523 . . . . 99.99 110.326 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -73.69 146.93 44.11 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.227 0.611 . . . . 99.99 110.19 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -163.75 -51.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.367 1.067 . . . . 99.99 108.584 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -179.72 -90.81 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.835 1.654 . . . . 99.99 106.725 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m 57.92 13.43 2.13 Favored 'General case' 0 CA--C 1.574 1.901 0 C-N-CA 124.523 1.129 . . . . 99.99 112.813 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -74.56 0.46 Allowed 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.358 -0.979 . . . . 99.99 108.358 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.624 ' HB3' HG23 ' B' ' 89' ' ' ILE . 5.2 ptm 61.58 168.88 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.417 1.887 . . . . 99.99 113.756 -176.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.2 p -147.14 144.32 28.91 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 113.856 -1.52 . . . . 99.99 107.562 167.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.64 153.71 34.97 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.62 0.575 . . . . 93.55 110.116 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -141.09 134.64 30.01 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.779 -0.823 . . . . 99.99 108.779 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.72 HG12 HG21 ' B' ' 105' ' ' ILE . 3.5 mp -69.88 113.44 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.298 -1.001 . . . . 40.88 108.298 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' HB ' ' B' ' 83' ' ' ILE . 7.5 mm100 -88.44 -38.58 14.91 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.144 0.903 . . . . 85.25 110.035 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' E' ' 124' ' ' SER . 24.5 ttt180 -165.66 159.75 16.74 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.715 0.406 . . . . 95.33 111.616 176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 54.3 mt -115.36 138.5 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.864 1.266 . . . . 13.6 108.795 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' HB3' ' OG1' ' A' ' 122' ' ' THR . 24.6 p90 -168.59 150.95 5.08 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.975 0.51 . . . . 23.1 112.321 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 m -83.87 127.81 34.1 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.884 -0.784 . . . . 6.51 108.884 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -99.25 -37.55 9.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.063 0.545 . . . . 19.94 111.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 79' ' ' GLN . 13.0 t70 -152.2 142.57 22.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.683 -0.488 . . . . 37.8 109.683 -167.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 117' ' ' MET . 39.4 mm -136.79 146.9 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.156 0.983 . . . . 5.14 109.085 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 74.7 m -142.51 138.59 31.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.623 1.569 . . . . 19.25 108.21 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.7 t80 -155.06 108.5 2.84 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 108.179 -1.045 . . . . 9.84 108.179 167.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -121.63 114.19 20.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.764 0.825 . . . . 50.65 109.376 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.22 88.09 2.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 107.08 -1.452 . . . . 18.09 107.08 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.43 -27.18 28.37 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.866 2.377 . . . . 31.77 112.135 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -110.46 24.3 13.15 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.417 1.087 . . . . 49.39 109.898 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.8 32.2 Favored Pre-proline 0 CA--C 1.578 2.052 0 C-N-CA 125.224 1.409 . . . . 51.5 114.359 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.64 -23.07 7.36 Favored 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 122.091 1.861 . . . . 70.98 113.56 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -79.93 -13.8 59.09 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.635 0.774 . . . . 99.99 109.809 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.74 -18.24 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 125.481 1.513 . . . . 99.99 111.537 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.35 -40.74 62.35 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.012 0.925 . . . . 99.99 112.877 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 29.2 pt20 -71.15 -33.71 70.3 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.522 0.729 . . . . 99.99 111.514 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 97.1 mttt -93.46 95.54 9.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.601 0.76 . . . . 98.87 110.816 -174.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -108.05 87.17 2.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.649 0.78 . . . . 99.99 110.419 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -163.26 -176.42 4.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.777 0.831 . . . . 99.99 109.626 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.92 111.44 26.75 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 123.672 0.789 . . . . 99.99 109.683 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 19.0 Cg_endo -58.83 146.82 91.67 Favored 'Trans proline' 0 C--N 1.39 2.715 0 C-N-CA 123.361 2.707 . . . . 63.52 113.485 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' HG2' ' NE2' ' E' ' 351' ' ' GLN . 1.8 mp0 -74.96 112.37 11.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.759 -1.109 . . . . 99.99 108.975 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -87.21 158.08 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 C-N-CA 123.684 0.793 . . . . 72.1 111.371 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.518 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 65.6 tttm -148.4 141.74 25.2 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.475 1.51 . . . . 99.99 107.284 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 64' ' ' VAL . 2.5 tm? -128.25 128.75 45.26 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.327 -0.62 . . . . 96.73 109.327 -176.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 38.5 m-20 -128.04 155.72 43.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 92.63 107.945 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.73 HD23 HD21 ' B' ' 60' ' ' LEU . 5.4 mp -118.38 146.89 44.07 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.207 -1.034 . . . . 67.27 108.207 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 26.4 t70 -135.07 155.72 50.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.551 1.14 . . . . 58.71 108.741 -176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.64 HG23 ' HG2' ' E' ' 12' ' ' PRO . 71.8 p -107.77 127.35 53.62 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.925 0.89 . . . . 66.97 110.439 -170.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HA ' ' HG2' ' E' ' 336' ' ' GLU . . . -147.46 120.68 8.92 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.129 0.572 . . . . 35.64 109.887 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -146.66 164.86 31.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.864 0.466 . . . . 74.75 111.721 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.5 p -155.14 137.07 14.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.817 1.247 . . . . 43.74 109.012 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 131.16 34.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 118.224 0.466 . . . . 89.61 110.65 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.94 -41.8 6.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.858 0.863 . . . . 71.01 111.235 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.598 ' HA ' ' HB3' ' E' ' 328' ' ' ALA . . . -151.4 -173.95 4.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.194 0.597 . . . . 85.91 110.15 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.96 112.5 6.4 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.966 -1.015 . . . . 99.99 108.901 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 66.42 2.17 2.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.652 1.581 . . . . 99.99 113.079 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 34.7 t -103.02 103.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.026 -1.472 . . . . 76.71 107.026 171.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.437 ' CG ' HG12 ' E' ' 18' ' ' VAL . 77.1 m-85 -112.13 140.99 46.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.911 -1.495 . . . . 98.07 107.776 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -98.05 105.23 17.34 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 105.768 -1.938 . . . . 46.84 105.768 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.475 HG21 HD12 ' B' ' 86' ' ' ILE . 93.4 t -110.92 123.36 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.257 -0.646 . . . . 57.34 109.257 -174.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.7 t -107.74 152.67 9.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 124.929 1.292 . . . . 21.57 108.829 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.73 HD21 HD23 ' B' ' 44' ' ' LEU . 61.2 tp -116.23 123.22 47.21 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.728 -0.841 . . . . 62.33 108.728 163.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 50.0 ttt85 -96.95 123.09 40.58 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.432 0.693 . . . . 95.32 109.164 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.97 107.32 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.265 1.026 . . . . 14.84 109.072 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 12.9 m -97.03 109.55 22.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.468 1.107 . . . . 28.15 110.28 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.753 HG21 HG21 ' B' ' 114' ' ' ILE . 95.3 t -106.19 104.88 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.981 0.913 . . . . 18.14 109.169 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 98.2 m -92.97 139.43 30.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.942 -1.026 . . . . 24.35 108.287 174.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.41 141.11 24.55 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.544 -0.539 . . . . 26.44 109.544 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 37.8 p -144.13 131.33 20.7 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 123.542 0.526 . . . . 56.64 111.109 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.517 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 17.5 mt -94.8 105.21 17.13 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 124.303 1.041 . . . . 62.67 108.436 173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.26 -122.32 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 114.995 -1.002 . . . . 81.37 112.21 -175.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -93.75 2.19 56.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.185 0.594 . . . . 99.99 111.671 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -131.15 159.08 38.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.843 0.457 . . . . 99.99 110.322 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -66.08 133.82 51.54 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.568 0.542 . . . . 33.32 110.829 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.42 -57.37 2.8 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.457 -1.312 . . . . 25.99 107.457 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -157.42 167.21 30.89 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.291 -1.322 . . . . 18.76 110.429 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 54.2 mt -137.1 111.4 8.48 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.46 -1.681 . . . . 16.93 106.46 174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 51.1 t -115.9 135.79 53.66 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 107.753 -1.203 . . . . 12.76 107.753 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.634 ' HB3' ' HB2' ' B' ' 22' ' ' SER . 48.9 tt0 -157.39 125.84 5.62 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.805 -0.559 . . . . 30.38 110.081 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -124.43 149.98 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.82 0.848 . . . . 8.91 110.531 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 20' ' ' ASP . 26.6 mt-30 -118.59 103.41 9.69 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.264 -1.013 . . . . 33.15 108.264 167.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.1 tp-100 -93.91 102.62 14.72 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.479 -1.304 . . . . 11.26 107.479 172.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.71 153.47 23.97 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.314 -0.857 . . . . 11.78 112.401 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.21 134.83 5.11 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.068 -1.213 . . . . 23.01 110.068 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' B' ' 14' ' ' GLN . 62.1 mt -82.84 129.81 36.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 106.885 -1.524 . . . . 39.34 106.885 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.494 ' HE2' HG13 ' B' ' 13' ' ' ILE . 35.5 m-85 -134.71 176.2 8.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.947 0.403 . . . . 63.88 110.009 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 12.5 p -120.8 88.11 2.88 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 108.684 -0.858 . . . . 82.93 108.684 170.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.577 HD13 HD22 ' B' ' 98' ' ' LEU . 70.2 mt -113.97 110.72 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.798 0.439 . . . . 98.2 111.74 -169.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -157.93 165.38 35.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.586 1.154 . . . . 99.99 109.153 169.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.76 -69.88 0.22 Allowed Glycine 0 CA--C 1.54 1.598 0 CA-C-O 119.172 -0.793 . . . . 99.99 114.796 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' B' ' 9' ' ' MET . 39.8 pt -66.21 165.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 118.045 0.923 . . . . 99.99 111.57 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.65 ' HB2' ' HB ' ' E' ' 23' ' ' THR . 12.1 pt-20 -159.95 176.85 11.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 123.441 0.696 . . . . 99.99 111.042 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.72 -118.5 14.37 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.257 -0.883 . . . . 99.99 113.702 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 49.5 m -65.83 -44.32 85.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.072 0.949 . . . . 99.99 110.925 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.49 -22.81 64.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.245 -0.888 . . . . 99.99 112.124 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.631 ' HE2' ' HD2' ' E' ' 17' ' ' PRO . 20.5 ttt -65.1 -45.49 84.95 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.977 0.511 . . . . 99.99 110.323 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.46 -37.07 57.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.659 -0.7 . . . . 99.99 111.303 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.98 -55.59 5.97 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.69 0.796 . . . . 99.99 112.151 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 63.9 m -78.11 -45.42 23.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.961 0.41 . . . . 99.99 110.473 -169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.577 HD22 HD13 ' B' ' 86' ' ' ILE . 62.4 mt -75.2 -27.77 59.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.869 -0.605 . . . . 71.23 111.44 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.13 -31.71 16.33 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 123.243 0.339 . . . . 59.87 113.755 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.3 -45.41 3.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.718 0.636 . . . . 71.19 112.718 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -82.37 -51.49 7.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 99.99 111.549 -170.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.84 -44.14 71.42 Favored Pre-proline 0 CA--C 1.568 1.642 0 CA-C-O 118.377 -0.82 . . . . 50.37 113.185 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.99 -11.46 18.41 Favored 'Trans proline' 0 C--N 1.401 3.306 0 C-N-CA 122.725 2.283 . . . . 36.29 115.685 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.523 ' HB2' HG23 ' E' ' 67' ' ' ILE . 13.2 m120 -56.5 -32.02 64.64 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 112.468 0.544 . . . . 87.59 112.468 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.72 HG21 HG12 ' B' ' 13' ' ' ILE . 21.1 tt -82.07 -32.22 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.873 0.469 . . . . 37.19 111.72 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.45 -17.82 35.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.138 0.575 . . . . 13.07 111.159 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -48.01 97.47 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 117.424 -1.274 . . . . 99.99 112.85 -174.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -46.82 -45.54 20.23 Favored 'Trans proline' 0 C--N 1.399 3.234 0 C-N-CA 123.186 2.591 . . . . 10.37 114.575 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -73.88 -47.05 40.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.73 0.812 . . . . 12.29 111.157 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -59.3 -44.03 92.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.224 0.61 . . . . 8.75 110.376 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -58.56 -54.4 47.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.917 1.287 . . . . 59.14 110.835 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -66.12 -29.93 70.33 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.285 1.034 . . . . 51.9 111.144 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.6 t -67.85 -45.44 74.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.342 0.657 . . . . 13.3 109.976 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.753 HG21 HG21 ' B' ' 64' ' ' VAL . 74.2 mt -60.5 -48.84 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.681 0.792 . . . . 9.86 110.133 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . 0.622 HG23 ' HB2' ' B' ' 125' ' ' GLN . 79.0 m -55.55 -30.78 61.38 Favored 'General case' 0 CA--C 1.567 1.598 0 O-C-N 124.853 1.346 . . . . 13.13 111.44 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 48.5 t -70.71 -57.06 5.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.975 0.91 . . . . 8.02 111.222 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.442 ' HE1' HD12 ' B' ' 21' ' ' ILE . 4.3 mpp? -61.94 -35.22 77.78 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.882 0.697 . . . . 26.78 112.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 114' ' ' ILE . 94.4 t -55.22 -47.64 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.317 0.647 . . . . 13.3 110.181 175.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 18.9 t -72.04 -25.04 61.64 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 114.609 -1.178 . . . . 29.79 111.741 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -71.64 -34.0 69.4 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.588 0.755 . . . . 11.55 111.032 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.06 6.16 72.65 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.995 -0.548 . . . . 16.97 112.965 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 21.9 p 70.79 30.32 2.96 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.507 1.923 . . . . 23.15 112.267 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.69 156.35 36.65 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 123.889 0.876 . . . . 23.84 110.235 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.545 ' HA ' ' HG3' ' C' ' 125' ' ' GLN . 58.4 Cg_endo -69.69 124.06 10.74 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 122.753 2.302 . . . . 29.89 112.881 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' B' ' 115' ' ' THR . 1.2 pp0? -65.31 157.13 29.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.99 1.316 . . . . 99.99 112.605 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 55.2 tp -144.97 127.7 16.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.414 0.686 . . . . 72.13 109.92 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -107.22 120.82 43.18 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.183 0.993 . . . . 73.04 109.578 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' E' ' 6' ' ' ILE . 68.8 mt -80.39 149.76 30.07 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.818 0.847 . . . . 90.81 110.557 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.68 157.32 87.67 Favored Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 123.69 0.796 . . . . 43.15 111.858 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.56 57.19 6.2 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.828 2.352 . . . . 61.27 111.312 172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.49 111.88 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.152 -0.931 . . . . 99.57 109.818 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -70.59 114.77 9.02 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 107.764 -1.199 . . . . 99.99 107.764 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' E' ' 10' ' ' LEU . 51.2 t80 -64.43 -5.72 5.84 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.379 1.072 . . . . 99.99 113.122 -171.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.47 -36.87 1.44 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.967 1.307 . . . . 99.99 111.742 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.513 ' HB2' ' HA ' ' E' ' 63' ' ' PRO . . . -48.85 -49.18 40.64 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.112 1.365 . . . . 99.99 113.542 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 8.7 tt -72.48 -42.29 65.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -66.54 -19.44 65.78 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.139 0.576 . . . . 99.99 112.036 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . 0.504 ' O ' ' HG2' ' B' ' 142' ' ' GLN . 25.2 mmt -59.82 -34.53 73.19 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.14 0.576 . . . . 99.99 111.442 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.72 -22.2 61.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.285 0.634 . . . . 99.99 110.386 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -89.42 -31.74 17.59 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.554 1.141 . . . . 99.99 111.083 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.86 15.24 26.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.798 0.839 . . . . 99.99 112.194 -171.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 138' ' ' MET . 12.5 mm100 -64.48 -68.17 0.38 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.46 0.304 . . . . 99.99 110.28 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 63.76 -68.45 0.09 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.561 1.544 . . . . 99.99 111.573 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' E' ' 47' ' ' LEU . 88.4 mm-40 71.6 174.18 0.3 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.641 1.577 . . . . 99.99 112.954 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.83 154.78 0.14 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.568 1.547 . . . . 99.99 110.504 -166.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.49 63.21 4.38 Favored Glycine 0 N--CA 1.473 1.135 0 O-C-N 122.357 -0.214 . . . . 99.99 112.75 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -99.45 117.62 34.25 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.795 0.838 . . . . 99.99 110.683 -173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.88 29.56 12.2 Favored Glycine 0 C--N 1.345 1.081 0 N-CA-C 111.325 -0.71 . . . . 99.99 111.325 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 68.5 p 54.96 17.81 1.99 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.347 1.859 . . . . 99.99 113.665 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 30.48 -82.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 128.351 2.66 . . . . 99.99 115.056 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -70.15 -76.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.69 0.796 . . . . 99.99 109.57 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 9.8 p80 63.93 -40.02 0.22 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 127.623 2.369 . . . . 99.99 117.377 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.28 127.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 125.111 1.364 . . . . 99.99 111.95 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 71.12 -88.99 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.88 0.872 . . . . 99.99 111.382 167.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 C-N-CA 124.475 1.11 . . . . 99.99 112.336 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' C' ' 144' ' ' GLN . 12.9 tpt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.476 -0.565 . . . . 99.99 109.476 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.519 ' H ' HG22 ' C' ' 149' ' ' THR . 62.1 m 52.31 24.11 2.73 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.508 1.523 . . . . 99.99 113.551 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 64.79 -87.39 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.609 1.163 . . . . 99.99 109.544 -167.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 38.02 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 127.172 2.189 . . . . 99.99 115.273 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.55 -25.05 67.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.435 1.494 . . . . 99.99 112.053 -172.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -104.41 37.61 2.07 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.065 1.346 . . . . 99.99 109.481 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 57.2 m -148.06 -37.65 0.19 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.482 0.713 . . . . 99.99 110.683 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -109.74 -163.15 0.84 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.804 0.842 . . . . 99.99 112.305 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 8.7 mmt 68.67 149.07 0.07 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 127.274 2.23 . . . . 99.99 113.733 171.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.75 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 56.7 m -129.37 118.4 22.15 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.058 -1.428 . . . . 99.99 110.131 -176.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -118.96 151.39 38.26 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.293 -0.632 . . . . 99.99 109.293 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.724 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 35.6 tt0 -162.08 135.94 6.5 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.351 1.06 . . . . 99.99 109.146 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -96.85 141.88 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.445 0.698 . . . . 56.3 110.072 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -115.86 -50.84 2.68 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.717 0.407 . . . . 93.16 111.092 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.449 HH11 HG21 ' D' ' 122' ' ' THR . 17.5 ptp180 -169.84 165.88 9.67 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.303 0.641 . . . . 99.99 110.628 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -124.98 149.04 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.19 1.396 . . . . 11.74 107.906 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -177.06 172.03 2.02 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.341 0.591 . . . . 19.28 112.112 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 56.1 p -96.54 117.71 31.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.189 -0.671 . . . . 6.91 109.189 168.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' HA3' ' C' ' 81' ' ' GLY . 15.7 mmmt -65.79 -46.8 77.34 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.475 -0.935 . . . . 21.95 108.475 170.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 19.9 t70 -146.47 150.34 35.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 113.24 -1.8 . . . . 50.62 109.76 -174.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.7 mt -137.12 148.21 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 106.788 -1.56 . . . . 5.12 106.788 173.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 33.4 t -157.44 151.33 24.36 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.9 0.857 . . . . 9.28 111.5 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.441 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 75.0 t80 -148.18 127.69 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.352 -1.721 . . . . 8.82 106.352 171.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.47 125.03 39.77 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.976 0.51 . . . . 30.58 110.267 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.18 79.81 42.58 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 106.91 -1.515 . . . . 12.04 106.91 166.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.83 -31.7 6.29 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.3 2.0 . . . . 30.41 110.912 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -94.19 19.54 9.21 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.316 1.446 . . . . 61.38 109.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.562 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -53.53 -56.03 28.96 Favored Pre-proline 0 CA--C 1.573 1.86 0 C-N-CA 125.169 1.387 . . . . 26.66 112.859 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 2.8 Cg_exo -73.26 -30.87 9.96 Favored 'Trans proline' 0 C--N 1.399 3.223 0 C-N-CA 121.933 1.755 . . . . 35.22 111.093 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -67.66 -35.87 79.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.604 1.561 . . . . 48.75 111.918 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' C' ' 73' ' ' ALA . 8.5 p -77.03 -20.23 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 112.935 0.717 . . . . 55.24 112.935 -169.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -61.56 -31.89 71.95 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.161 0.801 . . . . 99.99 113.161 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -92.5 21.95 4.99 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.499 0.555 . . . . 97.11 112.499 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' C' ' 71' ' ' GLU . 0.0 OUTLIER -106.52 177.45 4.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.795 0.838 . . . . 88.6 111.024 179.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.08 126.3 29.36 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.248 -1.342 . . . . 99.99 109.639 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.17 80.63 8.23 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.233 0.613 . . . . 99.99 110.749 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -125.21 78.56 66.92 Favored Pre-proline 0 N--CA 1.493 1.712 0 C-N-CA 123.394 0.678 . . . . 99.99 109.237 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.66 103.27 1.61 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.499 2.133 . . . . 68.93 112.693 -172.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -85.17 97.19 9.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.893 -1.503 . . . . 99.99 107.239 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 50.2 t -84.96 120.16 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 108.928 -0.767 . . . . 87.15 108.928 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 134.35 48.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.382 0.673 . . . . 99.99 109.532 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 128' ' ' LEU . 5.0 tt -95.58 124.22 39.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 106.696 -1.594 . . . . 94.05 106.696 166.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -135.01 130.67 36.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.828 0.851 . . . . 99.99 108.763 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -134.43 149.12 50.74 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.044 0.384 . . . . 71.87 111.206 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.71 156.77 32.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.176 0.99 . . . . 92.17 108.979 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -118.67 137.89 53.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.957 0.503 . . . . 62.96 110.917 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.1 145.23 38.94 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 107.713 -1.217 . . . . 35.73 107.713 170.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 57.5 p -141.73 147.06 36.78 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 122.684 0.394 . . . . 56.22 111.235 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 35.6 t -146.55 131.76 18.41 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.149 0.98 . . . . 43.42 108.937 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -78.6 116.25 18.85 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' C' ' 57' ' ' GLU . 38.1 mt -94.75 -31.17 13.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.361 0.664 . . . . 61.44 109.969 -175.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.29 -168.73 1.94 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.288 1.035 . . . . 94.06 109.597 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.43 115.66 8.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.023 0.529 . . . . 99.99 110.354 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 67.93 1.05 2.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.829 1.652 . . . . 99.99 112.705 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.25 110.68 23.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.271 -0.64 . . . . 81.86 109.271 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' E' ' 276' ' ' PRO . 14.3 m-85 -113.49 124.48 52.49 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.362 -1.29 . . . . 99.99 109.642 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.575 ' HB2' HD11 ' C' ' 51' ' ' LEU . 37.8 tt0 -85.18 109.2 18.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.695 -1.224 . . . . 35.21 107.695 168.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.76 113.87 37.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.936 -1.135 . . . . 29.6 107.936 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.61 111.77 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 108.917 -0.772 . . . . 20.9 108.917 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.14 96.21 10.63 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.945 -1.502 . . . . 69.19 106.945 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -89.02 119.18 29.31 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.786 -0.82 . . . . 99.99 108.786 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.3 t -105.94 136.51 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.832 -1.173 . . . . 14.53 107.832 175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -129.73 133.08 46.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.304 -0.998 . . . . 20.42 108.304 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.48 111.62 24.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.656 -0.868 . . . . 17.7 108.656 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -102.0 150.61 23.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.388 0.675 . . . . 29.53 110.234 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.66 126.96 30.18 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.581 -0.896 . . . . 32.22 108.581 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -149.15 156.94 42.93 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.967 0.907 . . . . 59.66 108.95 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 71' ' ' GLU . 0.9 OUTLIER -130.22 49.06 2.33 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.141 0.972 . . . . 97.29 109.464 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.09 -117.08 3.25 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 113.787 -1.551 . . . . 76.35 110.692 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.83 -32.33 17.86 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.975 -1.12 . . . . 99.99 107.975 173.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' C' ' 34' ' ' LYS . 9.9 tp10 -75.49 118.88 18.83 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.54 1.136 . . . . 77.02 110.229 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.3 m -82.97 132.61 35.14 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.151 0.58 . . . . 37.0 110.144 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.59 -61.5 1.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.728 0.811 . . . . 34.06 109.298 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -159.69 176.07 12.43 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.428 -0.805 . . . . 39.96 111.022 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -140.98 138.44 33.75 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.221 -1.399 . . . . 16.54 107.221 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' C' ' 114' ' ' ILE . 43.3 t -133.14 142.23 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 107.944 -1.132 . . . . 10.97 107.944 174.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -158.25 139.87 13.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.72 0.295 . . . . 36.61 110.363 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' C' ' 110' ' ' ALA . 74.9 t -137.1 114.91 13.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.154 0.982 . . . . 9.25 108.804 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 49.9 mt-30 -90.2 87.83 7.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.661 -0.866 . . . . 25.23 108.661 174.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 7.7 tp-100 -83.04 101.49 11.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.779 -1.101 . . . . 10.64 110.414 -176.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' C' ' 19' ' ' LYS . . . -84.59 145.58 21.99 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 116.414 -0.357 . . . . 10.6 112.811 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.497 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -147.8 123.84 1.79 Allowed Glycine 0 CA--C 1.504 -0.599 0 N-CA-C 110.55 -1.02 . . . . 19.17 110.55 177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' C' ' 51' ' ' LEU . 18.8 mm -86.7 122.37 38.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.924 -0.769 . . . . 30.38 108.924 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.03 129.94 24.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.439 0.695 . . . . 49.62 109.924 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.724 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 28.3 m -76.06 103.75 6.27 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.78 -0.822 . . . . 92.15 108.78 170.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.534 HG23 HD12 ' C' ' 89' ' ' ILE . 78.8 mt -114.44 120.27 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.806 1.242 . . . . 99.99 108.712 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -142.94 119.39 10.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.318 0.647 . . . . 99.99 110.472 -171.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.02 -29.63 4.17 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.524 0.515 . . . . 99.99 113.915 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.534 HD12 HG23 ' C' ' 86' ' ' ILE . 68.4 mt -54.88 108.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.176 1.39 . . . . 99.99 110.526 -176.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -145.99 159.06 43.77 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.376 0.67 . . . . 99.99 111.138 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.66 -119.52 18.63 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 124.069 0.856 . . . . 99.99 114.479 169.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 71.1 p -70.26 -31.07 68.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.928 0.891 . . . . 99.99 110.827 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -71.39 -39.25 71.3 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.698 0.799 . . . . 99.99 109.071 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 47.9 ttm -67.91 -40.27 83.43 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.292 0.637 . . . . 99.99 110.747 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.472 ' HA ' HD22 ' E' ' 280' ' ' LEU . . . -67.3 -35.31 79.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.051 0.54 . . . . 99.99 111.577 -177.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -84.83 -56.34 3.63 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.582 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 57.8 m -82.88 -54.41 5.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.479 0.712 . . . . 99.99 112.125 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.8 tt -76.0 -21.15 57.21 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.653 -0.869 . . . . 99.99 108.653 -176.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.81 -24.48 52.92 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.622 -0.717 . . . . 68.51 113.731 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -115.67 -62.08 1.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.658 0.729 . . . . 56.52 111.469 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.86 -48.28 81.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.121 0.568 . . . . 99.99 111.76 -172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 34.2 m -62.9 -49.12 83.43 Favored Pre-proline 0 CA--C 1.566 1.592 0 CA-C-O 118.484 -0.769 . . . . 56.59 111.908 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 74.8 Cg_exo -57.63 -42.53 59.42 Favored 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 122.243 1.962 . . . . 39.21 112.977 169.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -17.95 64.92 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.028 0.531 . . . . 71.72 112.122 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.59 HD12 HH12 ' A' ' 111' ' ' ARG . 35.5 mm -81.46 -51.48 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.112 0.565 . . . . 8.71 110.063 170.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.497 HD21 ' HA3' ' C' ' 82' ' ' GLY . 96.3 mt -72.33 -27.49 62.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.802 0.841 . . . . 37.06 112.014 -172.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -65.75 -50.86 52.55 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 116.912 -1.518 . . . . 16.74 112.964 -168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.59 -42.38 56.35 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.29 1.993 . . . . 9.85 112.825 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.36 -45.8 82.71 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.842 -1.072 . . . . 5.88 111.547 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -74.5 -30.89 61.99 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.326 -0.397 . . . . 7.64 111.422 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -62.81 -54.33 40.58 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.817 1.247 . . . . 20.64 110.502 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -30.69 71.64 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.989 0.806 . . . . 38.86 110.146 -178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 34.5 t -69.52 -35.6 75.65 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.322 0.649 . . . . 13.9 111.449 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.8 mt -70.23 -49.46 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 N-CA-C 109.432 -0.581 . . . . 8.58 109.432 174.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 35.7 m -57.39 -33.65 68.06 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.32 1.048 . . . . 8.54 111.158 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -69.98 -45.75 66.69 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.098 -0.955 . . . . 6.56 109.381 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.557 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -66.19 -32.29 73.64 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.303 1.041 . . . . 5.22 112.644 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.436 HG23 ' O ' ' C' ' 114' ' ' ILE . 87.2 t -67.67 -39.41 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 109.255 -0.646 . . . . 28.53 109.255 174.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -71.78 -31.96 67.16 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.181 0.993 . . . . 17.6 111.538 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.407 HH12 ' HG2' ' D' ' 112' ' ' GLU . 60.1 mtt-85 -74.83 -32.67 62.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.755 0.822 . . . . 7.72 110.262 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.32 -0.75 84.41 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.451 -0.795 . . . . 10.8 112.825 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.9 p 68.37 40.01 2.11 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.181 1.792 . . . . 15.17 112.266 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.441 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 32.4 m-85 -111.11 162.0 22.68 Favored Pre-proline 0 CA--C 1.559 1.303 0 C-N-CA 124.821 1.248 . . . . 24.81 109.509 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -63.98 -176.42 0.36 Allowed 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 123.198 2.598 . . . . 29.42 114.155 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.545 ' HG3' ' HA ' ' B' ' 124' ' ' PRO . 0.0 OUTLIER -61.31 130.69 47.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.9 0.88 . . . . 72.03 110.417 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 tt -141.34 100.96 3.91 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.192 -1.41 . . . . 59.85 107.192 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -104.88 131.02 52.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.7 0.8 . . . . 41.85 109.536 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.485 HD11 HD11 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -74.43 131.12 40.79 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 107.059 -1.46 . . . . 38.57 107.059 168.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.19 145.42 83.13 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.326 0.65 . . . . 24.62 111.506 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.66 96.74 0.2 Allowed 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 122.438 2.092 . . . . 24.48 110.891 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 2.5 p -97.85 110.6 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 121.763 0.792 . . . . 68.05 109.989 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -84.01 96.89 9.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.046 -0.979 . . . . 99.99 108.717 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . 0.479 ' HD1' ' HG3' ' E' ' 286' ' ' MET . 78.9 m-85 -62.58 -25.42 68.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.644 0.778 . . . . 99.99 110.683 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -51.23 -44.78 61.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.703 1.601 . . . . 99.99 111.314 176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.56 -25.71 66.38 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.672 1.233 . . . . 99.99 112.932 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.66 -46.69 74.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.544 0.737 . . . . 99.99 109.671 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -80.3 -33.87 37.29 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.608 0.763 . . . . 99.99 110.904 -175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.66 -32.4 67.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.405 1.082 . . . . 99.99 110.59 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.64 81.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.788 0.835 . . . . 99.99 111.179 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -71.61 -103.75 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.877 -0.602 . . . . 99.99 110.922 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 57.78 4.61 0.28 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 114.271 1.212 . . . . 99.99 114.271 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.96 122.49 26.78 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 77.6 -34.5 0.2 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.316 1.446 . . . . 99.99 111.795 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . 0.442 ' HB3' ' SD ' ' C' ' 1' ' ' MET . 46.7 mt-30 -58.68 -39.62 81.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.722 0.809 . . . . 99.99 111.487 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.42 -71.51 0.74 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.108 0.563 . . . . 99.99 109.83 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.5 -105.52 0.92 Allowed Glycine 0 C--N 1.355 1.584 0 CA-C-O 120.158 -0.246 . . . . 99.99 113.584 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -90.98 111.86 23.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.443 0.697 . . . . 99.99 109.124 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 60.19 -121.73 27.61 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 124.053 0.845 . . . . 99.99 112.532 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . 0.519 HG22 ' H ' ' C' ' 2' ' ' SER . 8.7 m 64.86 14.57 9.31 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.442 1.097 . . . . 99.99 111.227 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -178.67 121.53 0.09 Allowed 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.851 1.26 . . . . 99.99 107.92 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.422 ' HG2' HE21 ' C' ' 153' ' ' GLN . 43.4 tt0 -169.25 -47.36 0.02 OUTLIER 'General case' 0 C--O 1.247 0.952 0 O-C-N 123.966 0.791 . . . . 99.99 109.933 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 t60 76.57 -59.15 0.5 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.109 1.764 . . . . 99.99 111.861 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.422 HE21 ' HG2' ' C' ' 151' ' ' GLU . 27.1 mm-40 66.3 113.42 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.276 1.43 . . . . 99.99 111.124 -173.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -162.63 -47.26 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.223 1.009 . . . . 99.99 109.327 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 124.029 0.931 . . . . 99.99 110.52 -178.072 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 C--O 1.242 0.709 0 N-CA-C 108.738 -0.838 . . . . 99.99 108.738 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -179.19 168.35 1.53 Allowed 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.98 1.312 . . . . 99.99 109.022 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -88.67 -29.74 19.68 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.559 -1.2 . . . . 99.99 109.569 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -140.39 -51.94 0.49 Allowed 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 112.739 0.644 . . . . 99.99 112.739 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -123.18 103.13 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.56 0.618 . . . . 99.99 110.008 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -62.74 126.5 27.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.942 0.897 . . . . 99.99 111.17 -173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m 60.38 79.87 0.23 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.585 1.154 . . . . 99.99 110.61 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -159.32 -56.31 0.06 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.077 -0.965 . . . . 99.99 108.851 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -31.18 124.29 0.22 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 125.488 1.742 . . . . 99.99 112.769 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.767 ' HB ' HE22 ' D' ' 12' ' ' GLN . 32.6 p -108.16 131.24 54.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.859 0.864 . . . . 99.99 110.887 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -136.53 110.28 8.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.652 1.181 . . . . 76.43 108.19 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.767 HE22 ' HB ' ' D' ' 10' ' ' THR . 1.8 mp0 -114.66 121.51 43.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.615 0.766 . . . . 99.99 109.305 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -79.21 108.45 12.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.648 -1.242 . . . . 41.34 107.648 165.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -84.6 -35.46 22.73 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.966 -0.561 . . . . 79.46 110.32 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -169.37 146.23 3.43 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.328 0.392 . . . . 99.99 111.338 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 mt -126.31 130.1 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.673 1.189 . . . . 53.22 108.135 173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' D' ' 19' ' ' LYS . 25.5 p90 -168.31 162.47 12.61 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.288 0.566 . . . . 19.87 111.802 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 65.1 p -80.27 117.82 21.39 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.423 -0.808 . . . . 8.43 109.104 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' D' ' 19' ' ' LYS . 32.7 mtpt -87.16 -25.61 24.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.777 0.431 . . . . 36.9 110.407 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 23.1 t70 -156.39 146.01 20.87 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.864 0.866 . . . . 36.68 108.766 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.557 HG21 ' HE2' ' C' ' 117' ' ' MET . 75.6 mt -140.99 147.32 22.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 107.372 -1.344 . . . . 4.02 107.372 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -153.4 145.06 23.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.379 0.672 . . . . 7.64 109.703 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 73.4 t80 -137.86 119.35 14.86 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 105.123 -2.177 . . . . 5.08 105.123 167.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -129.05 109.58 11.32 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.477 0.711 . . . . 28.73 109.38 -173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.88 91.33 6.16 Favored Pre-proline 0 C--O 1.242 0.67 0 N-CA-C 107.979 -1.119 . . . . 7.19 107.979 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.1 -32.51 21.14 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.715 2.277 . . . . 13.41 111.655 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -113.59 25.69 11.04 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.796 -1.093 . . . . 11.97 108.933 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.23 -67.69 0.26 Allowed Pre-proline 0 CA--C 1.57 1.747 0 N-CA-C 114.856 1.428 . . . . 12.01 114.856 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 71.8 Cg_endo -75.75 -9.97 19.88 Favored 'Trans proline' 0 C--N 1.391 2.771 0 CA-C-N 123.127 2.153 . . . . 20.55 113.497 -174.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -81.68 -39.7 23.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.641 1.176 . . . . 22.26 109.906 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -81.1 -6.34 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 122.5 0.32 . . . . 34.6 111.659 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.2 m-30 -81.83 1.48 34.68 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.8 0.44 . . . . 32.96 111.768 172.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -78.71 -9.74 59.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.243 0.617 . . . . 99.99 109.882 162.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.62 68.32 1.02 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.377 1.471 . . . . 31.63 109.04 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -79.63 83.24 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.294 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -156.5 -173.21 4.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.095 0.958 . . . . 49.29 109.459 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.5 116.71 50.28 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.383 0.673 . . . . 99.99 110.472 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.7 152.33 81.97 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.489 2.126 . . . . 31.29 111.72 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.09 112.31 10.1 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 166.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.46 142.95 30.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.566 0.746 . . . . 52.79 110.405 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' E' ' 112' ' ' ASN . 41.1 mmtm -129.32 144.56 51.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.922 0.889 . . . . 99.99 109.676 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.672 HD21 HG13 ' D' ' 62' ' ' VAL . 0.8 OUTLIER -98.28 109.82 22.51 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.132 -1.803 . . . . 74.77 106.132 173.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.88 114.64 28.59 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 107.3 -1.37 . . . . 99.99 107.3 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.472 ' HB2' ' HG ' ' E' ' 111' ' ' LEU . 4.8 mp -95.05 150.39 20.22 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.757 -0.46 . . . . 66.01 109.757 -172.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' D' ' 61' ' ' ARG . 22.4 m-20 -134.09 138.19 45.11 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.136 0.974 . . . . 79.72 108.826 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 46.8 p -105.95 141.33 37.52 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.971 -0.751 . . . . 77.52 108.971 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 142.3 12.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.338 1.055 . . . . 38.8 108.18 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 38.5 p -168.62 164.16 12.27 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.76 0.424 . . . . 48.36 110.863 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 54.8 p -151.54 139.12 19.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.361 0.664 . . . . 52.73 110.177 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -84.83 118.77 24.68 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.354 -0.61 . . . . 99.71 109.354 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.51 15.6 8.22 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.27 1.028 . . . . 82.32 110.19 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.79 155.51 5.86 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.281 0.632 . . . . 96.95 111.609 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.67 120.87 26.11 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 99.99 108.659 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.2 15.04 7.17 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 124.536 1.134 . . . . 99.99 113.0 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 66.0 t -136.51 135.8 48.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 105.352 -2.092 . . . . 82.8 105.352 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -149.7 156.62 42.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.165 -0.68 . . . . 99.99 109.165 -168.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -128.38 122.76 32.2 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 108.959 -0.756 . . . . 55.89 108.959 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.77 141.24 20.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.986 -0.746 . . . . 44.56 108.986 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -118.34 104.4 16.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 124.53 1.132 . . . . 19.48 108.238 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' D' ' 103' ' ' PRO . 62.8 tp -86.35 101.39 13.06 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 108.618 -0.882 . . . . 52.2 108.618 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' D' ' 45' ' ' ASP . 28.2 ttp180 -86.81 99.35 11.74 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.001 -0.74 . . . . 99.99 109.001 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.672 HG13 HD21 ' D' ' 42' ' ' LEU . 97.2 t -90.47 118.37 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.054 -0.975 . . . . 9.25 108.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -121.84 147.68 45.66 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.099 0.56 . . . . 10.79 109.765 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 52.3 t -124.28 120.81 60.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 124.452 1.101 . . . . 9.72 109.502 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 10.1 m -105.69 94.08 5.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.984 -0.747 . . . . 19.36 108.984 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.18 147.4 25.75 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.424 0.689 . . . . 11.33 109.935 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.516 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 48.5 m -150.77 129.4 12.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.644 0.377 . . . . 29.87 111.724 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.72 106.01 16.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.63 1.172 . . . . 24.97 108.278 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.71 -129.58 13.75 Favored Glycine 0 C--N 1.343 0.952 0 O-C-N 123.547 0.529 . . . . 27.84 112.941 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 6.19 34.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.626 0.77 . . . . 76.3 112.541 -175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.12 167.86 20.93 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.155 0.582 . . . . 81.89 111.117 -172.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 91.0 m -76.77 130.65 37.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.927 -1.033 . . . . 11.35 110.863 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.516 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.96 -64.24 1.22 Allowed 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.36 -0.978 . . . . 10.67 108.36 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -153.51 164.07 38.85 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.539 -0.755 . . . . 7.73 110.658 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 mt -129.93 109.63 11.04 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.652 -1.61 . . . . 11.05 106.652 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.434 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.7 t -116.07 110.12 18.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.07 -0.715 . . . . 12.97 109.07 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.43 121.13 21.81 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.599 0.76 . . . . 47.96 109.995 -166.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . 0.412 HG22 HG23 ' D' ' 21' ' ' ILE . 84.2 t -130.41 118.1 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.198 0.999 . . . . 5.05 109.509 -174.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 23.3 mt-30 -88.62 91.05 8.66 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.932 -0.766 . . . . 21.68 108.932 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' D' ' 106' ' ' LEU . 7.4 tp-100 -82.18 111.91 18.72 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.842 -1.17 . . . . 8.01 107.842 174.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.39 146.93 18.56 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 111.611 -0.595 . . . . 11.29 111.611 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 136.91 7.4 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 111.948 -0.461 . . . . 22.6 111.948 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 36.7 mt -91.0 120.14 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 108.122 -1.066 . . . . 43.57 108.122 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -130.28 127.99 40.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.984 0.914 . . . . 45.01 109.627 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -100.25 121.99 42.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.852 0.861 . . . . 77.58 109.649 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.554 HD11 HD21 ' E' ' 100' ' ' LEU . 2.8 pp -131.61 143.32 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.395 0.678 . . . . 88.57 110.743 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -160.87 159.44 29.79 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.556 0.743 . . . . 99.99 110.02 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.1 11.48 63.07 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.111 -0.495 . . . . 99.99 113.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.499 HG12 ' HG3' ' D' ' 94' ' ' MET . 0.2 OUTLIER -123.58 162.72 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.692 0.797 . . . . 99.99 110.018 176.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.97 156.66 33.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.358 0.663 . . . . 99.99 109.96 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.82 -142.01 22.23 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.701 0.667 . . . . 99.99 114.223 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 -44.86 9.68 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.392 0.596 . . . . 99.99 111.953 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 9.9 tt0 -59.89 -26.73 66.12 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.649 0.78 . . . . 99.99 110.984 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.499 ' HG3' HG12 ' D' ' 89' ' ' ILE . 5.1 ttt -46.25 -64.57 0.72 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.85 1.66 . . . . 99.99 112.846 172.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' D' ' 98' ' ' LEU . . . -87.86 -16.29 34.4 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.074 0.55 . . . . 88.9 111.167 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 7.2 t-80 -61.29 -29.35 69.81 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.624 1.17 . . . . 99.99 111.258 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 52.3 t -61.45 -35.8 78.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.215 0.531 . . . . 95.17 110.509 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.628 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.9 mp -81.05 -20.62 41.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.42 0.688 . . . . 99.99 110.878 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.73 10.43 62.54 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-O 119.576 -0.569 . . . . 66.02 113.369 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -145.6 -61.0 0.34 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 117.602 0.701 . . . . 54.11 111.372 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.458 ' O ' ' HB3' ' D' ' 104' ' ' ASN . 78.4 t80 -71.25 -45.75 62.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 122.663 0.385 . . . . 40.76 111.344 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.4 m -62.52 -46.5 89.4 Favored Pre-proline 0 CA--C 1.567 1.61 0 CA-C-O 118.288 -0.863 . . . . 34.31 112.276 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.428 ' HB3' HD13 ' D' ' 60' ' ' LEU . 75.8 Cg_exo -56.39 -31.38 85.11 Favored 'Trans proline' 0 C--N 1.401 3.297 0 C-N-CA 122.676 2.251 . . . . 28.69 113.448 169.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' D' ' 101' ' ' TYR . 5.1 t-20 -63.11 -41.53 99.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.914 0.486 . . . . 61.29 111.284 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.67 -39.2 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.588 0.755 . . . . 19.65 110.128 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 88.4 mt -74.89 -32.94 61.98 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 114.962 -1.017 . . . . 13.09 112.039 -173.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.07 -41.38 84.45 Favored Pre-proline 0 CA--C 1.574 1.883 0 N-CA-C 114.761 1.393 . . . . 10.47 114.761 -168.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -46.23 -45.15 18.9 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.97 2.447 . . . . 6.22 114.388 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -82.01 -28.31 32.62 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.042 0.537 . . . . 10.48 111.499 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.38 58.2 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.456 -0.572 . . . . 4.16 109.456 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' D' ' 128' ' ' LEU . 50.4 ttp180 -61.89 -43.35 99.03 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.144 -1.389 . . . . 10.22 111.206 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . 0.407 ' HG2' HH12 ' C' ' 120' ' ' ARG . 19.3 tt0 -53.78 -49.4 68.37 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.698 1.199 . . . . 32.24 111.263 177.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.58 -45.71 85.81 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.988 -1.005 . . . . 3.39 110.954 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.54 HD12 HD11 ' D' ' 128' ' ' LEU . 69.4 mt -58.02 -56.63 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 124.344 1.028 . . . . 5.37 111.085 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 86.8 m -50.95 -42.73 60.01 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.782 1.233 . . . . 7.06 111.613 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.0 t -73.47 -27.53 61.45 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.312 -1.313 . . . . 6.71 111.775 -175.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 70.8 mtm -85.62 -34.45 21.4 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.042 0.537 . . . . 5.08 111.775 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 68.1 t -54.39 -45.1 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.367 1.067 . . . . 5.65 110.302 176.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 90.9 p -68.56 -35.82 77.94 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 113.831 -1.532 . . . . 10.21 111.774 -176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 77.2 mtt-85 -66.55 -31.86 72.84 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.705 0.802 . . . . 6.99 110.895 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.07 10.83 57.14 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 118.829 -0.984 . . . . 7.43 114.082 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.449 HG21 HH11 ' C' ' 15' ' ' ARG . 10.5 m 79.11 13.64 1.18 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 125.073 1.349 . . . . 18.26 112.038 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.08 148.36 34.75 Favored Pre-proline 0 CA--C 1.56 1.346 0 O-C-N 121.392 -0.818 . . . . 10.7 110.019 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.538 ' HG3' ' HB2' ' E' ' 131' ' ' TRP . 24.6 Cg_exo -62.68 159.47 36.91 Favored 'Trans proline' 0 C--N 1.39 2.713 0 C-N-CA 123.156 2.57 . . . . 20.06 112.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -52.62 141.63 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 123.304 0.642 . . . . 16.85 111.972 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 48.2 tp -130.43 95.36 3.87 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.712 -1.131 . . . . 14.84 108.111 171.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -99.24 109.83 22.44 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 106.958 -1.497 . . . . 76.73 106.958 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.54 HD11 HD12 ' D' ' 114' ' ' ILE . 68.2 mt -59.64 144.16 48.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.972 0.909 . . . . 20.32 111.869 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.71 139.5 93.77 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.172 -0.922 . . . . 28.37 111.521 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.42 ' HB3' HD11 ' E' ' 70' ' ' LEU . 46.7 Cg_exo -57.84 122.68 12.15 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.102 2.534 . . . . 32.68 112.307 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.482 HG21 HD22 ' D' ' 136' ' ' LEU . 6.5 p -120.93 129.19 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-O 121.332 0.587 . . . . 69.78 111.412 -176.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.471 ' HA ' HD12 ' E' ' 71' ' ' ILE . 19.9 p-10 -101.26 104.92 15.97 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.745 -0.835 . . . . 99.99 108.745 168.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.491 ' H ' HD11 ' E' ' 71' ' ' ILE . 94.7 m-85 -57.58 -37.94 74.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.792 1.237 . . . . 99.99 113.578 -169.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.75 -49.94 67.09 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.343 0.657 . . . . 99.99 111.042 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -73.24 -29.89 63.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.914 -1.039 . . . . 99.99 111.039 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.482 HD22 HG21 ' D' ' 131' ' ' VAL . 27.6 tp -60.35 -25.16 65.63 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 122.763 0.425 . . . . 99.99 111.483 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -97.98 -50.85 4.25 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.21 0.604 . . . . 99.99 111.372 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 62.4 mtm -73.91 -55.64 5.93 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.04 0.536 . . . . 99.99 111.925 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.548 ' HA ' ' HG3' ' D' ' 142' ' ' GLN . 29.2 t-20 -60.57 -23.82 64.94 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.945 0.898 . . . . 99.99 111.724 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -48.57 -41.88 31.89 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.102 0.961 . . . . 99.99 112.521 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.2 -49.32 10.94 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.294 0.569 . . . . 99.99 110.138 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . 0.548 ' HG3' ' HA ' ' D' ' 139' ' ' ASN . 15.3 pt20 -88.3 51.1 2.1 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.877 1.271 . . . . 99.99 111.055 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' D' ' 139' ' ' ASN . 26.9 tt0 -111.56 89.95 3.2 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.383 -0.823 . . . . 99.99 110.676 -166.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -170.78 136.22 1.16 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 113.726 -1.579 . . . . 99.99 108.67 172.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -144.28 5.37 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.978 0.911 . . . . 99.99 110.908 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 107.62 131.43 6.59 Favored Glycine 0 C--N 1.349 1.283 0 N-CA-C 110.691 -0.964 . . . . 99.99 110.691 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 59.43 24.93 13.6 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.642 1.177 . . . . 99.99 111.572 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.43 7.6 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 109.501 -1.439 . . . . 99.99 109.501 -170.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 57.7 m -134.42 -49.08 0.78 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.642 0.721 . . . . 99.99 110.336 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' D' ' 151' ' ' GLU . 20.6 tt0 -110.38 -167.07 1.14 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.384 -0.969 . . . . 99.99 108.384 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' D' ' 150' ' ' GLU . 68.4 mt-10 -67.11 -64.29 0.88 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.911 0.484 . . . . 99.99 110.41 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 p80 45.9 21.96 0.11 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.112 1.765 . . . . 99.99 114.473 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -102.06 -68.3 0.83 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.512 0.725 . . . . 99.99 110.981 -170.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.83 -24.83 38.19 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.105 0.562 . . . . 99.99 110.663 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 173.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 N-CA-C 110.854 -0.054 . . . . 99.99 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -142.35 134.63 27.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.358 1.063 . . . . 99.99 108.439 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -138.32 98.15 3.54 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.388 1.075 . . . . 99.99 108.334 171.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -66.57 -14.08 61.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.314 1.046 . . . . 99.99 113.299 -173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -67.75 -18.91 65.04 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.603 0.761 . . . . 99.99 112.025 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 128' ' ' LEU . 37.9 mm -87.5 133.46 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.162 0.585 . . . . 99.99 109.633 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.5 147.14 39.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.774 0.83 . . . . 99.99 110.353 -172.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' B' ' 42' ' ' LEU . 3.8 mm? -133.71 0.45 3.26 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.847 1.259 . . . . 99.99 110.129 173.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.83 -95.95 0.05 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.614 1.165 . . . . 99.99 111.894 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' B' ' 133' ' ' PHE . 26.6 tp -165.69 3.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.675 0.79 . . . . 99.99 110.424 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.48 176.56 0.06 OUTLIER Pre-proline 0 CA--C 1.568 1.657 0 C-N-CA 123.828 0.851 . . . . 99.99 110.054 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . 0.64 ' HG2' HG23 ' B' ' 46' ' ' THR . 17.1 Cg_exo -74.57 11.66 1.28 Allowed 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 121.84 1.693 . . . . 99.99 113.75 167.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 65.18 -73.38 0.06 Allowed 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.639 1.575 . . . . 99.99 110.703 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.1 91.9 0.52 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.246 -1.02 . . . . 99.99 108.246 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -66.06 -34.41 78.01 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.791 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m 35.67 64.92 2.03 Favored Pre-proline 0 CA--C 1.566 1.563 0 C-N-CA 126.05 1.74 . . . . 99.99 114.376 172.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.631 ' HD2' ' HE2' ' B' ' 94' ' ' MET . 83.4 Cg_endo -86.69 -51.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.169 1.912 . . . . 99.99 113.033 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.437 HG12 ' CG ' ' B' ' 56' ' ' TYR . 32.7 m -94.42 171.8 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.83 0.852 . . . . 99.99 109.298 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.19 80.36 0.23 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.676 0.751 . . . . 99.99 111.499 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.407 ' O ' HG22 ' E' ' 23' ' ' THR . 17.1 tptm 59.06 11.74 2.12 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.276 1.83 . . . . 99.99 112.915 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' B' ' 89' ' ' ILE . . . 51.11 32.29 7.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.676 1.191 . . . . 99.99 112.848 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 79.42 -20.96 0.36 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.246 1.418 . . . . 99.99 113.159 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' B' ' 90' ' ' GLU . 5.7 t -57.02 136.18 80.25 Favored Pre-proline 0 N--CA 1.491 1.581 0 N-CA-C 112.554 0.576 . . . . 99.99 112.554 -167.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.23 168.64 22.78 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.041 2.494 . . . . 99.99 112.265 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.17 48.35 0.86 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.664 0.745 . . . . 99.99 112.004 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 86.6 mtp -96.4 -42.81 0.26 Allowed Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.663 1.185 . . . . 99.99 113.353 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.03 42.24 1.07 Allowed 'Trans proline' 0 C--N 1.403 3.413 0 C-N-CA 122.117 1.878 . . . . 99.99 113.785 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.92 14.59 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.611 1.164 . . . . 99.99 111.98 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.84 161.57 17.95 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.791 0.836 . . . . 99.99 110.555 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 87.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.856 0.863 . . . . 99.99 111.411 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 70.39 -68.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 125.419 1.488 . . . . 99.99 111.173 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.54 29.25 15.33 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.024 1.33 . . . . 99.99 111.376 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.6 75.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 99.99 110.732 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.52 130.17 35.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 167.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -60.43 -42.95 97.14 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.524 0.729 . . . . 99.99 111.197 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 55.05 3.46 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -84.6 146.25 27.61 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.508 0.723 . . . . 99.99 110.159 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.4 tp -131.07 10.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.345 0 C-N-CA 123.472 0.709 . . . . 99.99 110.263 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 35.4 p -86.37 -48.22 8.66 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.251 -0.906 . . . . 99.99 109.911 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.17 -43.89 6.06 Favored Pre-proline 0 CA--C 1.567 1.62 0 N-CA-C 115.184 1.55 . . . . 99.99 115.184 -173.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.69 -37.89 65.23 Favored 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.786 2.324 . . . . 99.99 114.453 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.49 0.84 30.83 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.648 -0.529 . . . . 99.99 112.861 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.43 -42.18 82.71 Favored Glycine 0 C--N 1.356 1.64 0 C-N-CA 123.226 0.441 . . . . 99.99 113.53 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.49 -80.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.793 1.237 . . . . 99.99 111.573 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -79.49 81.75 5.71 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.57 0.748 . . . . 99.99 110.75 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -158.76 -143.15 0.1 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.199 -1.408 . . . . 99.99 107.199 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 144' ' ' GLN . 79.2 mt -78.62 34.31 0.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 119.513 1.051 . . . . 99.99 112.21 177.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 50.5 m -140.77 5.43 1.97 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.133 1.373 . . . . 99.99 109.113 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.89 -126.42 1.33 Allowed Glycine 0 C--N 1.355 1.605 0 O-C-N 122.028 -0.42 . . . . 99.99 112.847 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.52 -52.22 54.26 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.387 1.075 . . . . 99.99 112.417 -173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -67.52 -12.77 61.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.316 1.047 . . . . 99.99 112.714 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . 0.468 ' HA ' HD23 ' E' ' 47' ' ' LEU . 10.2 m -52.19 -30.4 26.85 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.973 0.909 . . . . 99.99 112.719 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' E' ' 56' ' ' ARG . . . -49.71 -28.78 6.49 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.826 1.25 . . . . 99.99 112.998 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 101.79 4.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.464 0.706 . . . . 99.99 109.857 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt 61.52 52.6 3.63 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.901 1.281 . . . . 99.99 111.98 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' E' ' 53' ' ' ALA . 0.0 OUTLIER -88.22 20.0 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.15 0.98 . . . . 99.99 111.875 175.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -103.89 122.29 44.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.169 0.587 . . . . 99.99 110.79 -171.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 24.1 m 75.24 -54.3 0.65 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 125.869 1.667 . . . . 99.99 113.528 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 74.11 159.84 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 125.207 1.403 . . . . 99.99 112.244 173.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 66.6 m -70.63 138.69 50.99 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.49 0.716 . . . . 99.99 111.665 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -177.24 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.668 1.187 . . . . 99.99 109.59 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.588 ' HD3' ' HB2' ' E' ' 90' ' ' ALA . 29.1 mtmm -67.65 153.97 94.12 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 124.736 1.214 . . . . 99.99 112.066 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 135' ' ' ALA . 19.4 Cg_exo -66.07 154.45 74.02 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.716 2.277 . . . . 99.99 112.269 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.29 172.0 11.99 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.485 0.66 . . . . 99.99 111.264 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.424 ' HD2' HG12 ' E' ' 68' ' ' ILE . 13.4 tmtt? -70.29 125.38 26.62 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.661 -1.154 . . . . 99.99 109.053 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.464 HD21 HG11 ' E' ' 306' ' ' VAL . 49.1 m-80 -69.03 118.53 12.04 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.877 0.871 . . . . 99.99 110.167 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 104' ' ' ASN . 44.2 pt 40.11 83.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 126.082 1.753 . . . . 99.99 114.197 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.424 HG12 ' HD2' ' E' ' 65' ' ' LYS . 56.1 mt -64.06 -13.88 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.606 1.163 . . . . 99.99 111.752 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 48.5 mt -48.77 -44.58 38.89 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.765 1.226 . . . . 99.99 111.217 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' D' ' 130' ' ' PRO . 5.5 mp -91.21 117.28 29.5 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.662 -1.236 . . . . 99.99 107.662 171.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.491 HD11 ' H ' ' D' ' 133' ' ' PHE . 1.5 mp 62.88 92.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.57 1.148 . . . . 99.99 109.067 -174.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.44 161.34 34.81 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.509 -0.769 . . . . 99.99 111.623 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -150.34 150.3 31.27 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.05 0.54 . . . . 99.99 110.931 -172.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.29 171.54 38.19 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.926 -0.869 . . . . 99.99 110.926 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 15.7 tpt -154.54 -42.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.932 0.493 . . . . 99.99 111.532 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 79.51 0.07 OUTLIER Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.418 -0.42 . . . . 99.99 112.095 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . 0.421 ' HB2' ' H ' ' E' ' 314' ' ' ARG . 8.7 m-20 -118.63 20.29 12.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.662 0.785 . . . . 99.99 110.252 -174.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -69.13 -17.79 63.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.078 0.951 . . . . 99.99 112.818 -170.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.08 -33.05 72.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.476 1.11 . . . . 99.99 109.891 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt 56.77 78.77 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.361 1.464 . . . . 99.99 111.382 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -94.77 155.51 16.79 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.498 -1.228 . . . . 99.99 108.907 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.77 88.38 0.37 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.524 0.73 . . . . 99.99 110.531 -176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.03 61.72 1.11 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.773 0.829 . . . . 99.99 111.355 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.424 ' NH1' ' SD ' ' B' ' 138' ' ' MET . 7.6 mmt180 -131.3 162.22 30.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.686 0.794 . . . . 99.99 110.278 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.52 17.88 10.01 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.152 1.381 . . . . 99.99 109.487 -155.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -111.78 -34.72 5.94 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.561 1.544 . . . . 99.99 107.619 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . 0.509 ' HA ' HG21 ' E' ' 309' ' ' THR . . . -76.99 87.22 3.51 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 114.319 -1.31 . . . . 99.99 109.505 175.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -140.84 142.99 34.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.295 0.638 . . . . 99.99 110.279 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.02 43.66 0.03 OUTLIER Glycine 0 C--N 1.344 0.989 0 O-C-N 123.79 0.681 . . . . 99.99 111.965 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . 0.588 ' HB2' ' HD3' ' E' ' 62' ' ' LYS . . . -91.99 158.25 16.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.427 0.691 . . . . 99.99 111.098 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . 0.405 ' HA3' ' HE2' ' E' ' 94' ' ' PHE . . . 167.1 -117.07 0.71 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.21 -132.31 2.58 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.292 -0.723 . . . . 99.99 111.292 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.52 106.91 19.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.419 0.688 . . . . 99.99 110.157 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . 0.405 ' HE2' ' HA3' ' E' ' 91' ' ' GLY . 16.9 p90 -157.84 178.4 10.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.978 0.911 . . . . 99.99 110.552 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -89.17 159.07 17.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.326 0.651 . . . . 99.99 110.671 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . -161.13 -52.98 0.02 OUTLIER Glycine 0 C--N 1.344 0.999 0 CA-C-N 116.684 -0.235 . . . . 99.99 113.414 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . . . . . . . . . 8.5 mt -104.54 -78.57 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.143 -0.688 . . . . 99.99 109.143 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.5 t70 173.8 -56.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.881 1.673 . . . . 99.99 108.546 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.21 -175.48 5.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.179 0.992 . . . . 99.99 109.729 -174.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.554 HD21 HD11 ' D' ' 86' ' ' ILE . 2.2 mm? -127.12 84.58 63.1 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 123.587 0.755 . . . . 99.99 110.48 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.7 73.48 5.48 Favored 'Trans proline' 0 C--N 1.37 1.695 0 C-N-CA 122.732 2.288 . . . . 99.99 110.928 165.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.445 ' HG ' ' HB1' ' D' ' 95' ' ' ALA . 0.9 OUTLIER -66.71 -80.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.551 -0.537 . . . . 99.99 109.551 -176.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -145.28 126.24 14.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.028 0.931 . . . . 99.99 109.527 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.24 -36.03 25.23 Favored Glycine 0 C--N 1.343 0.934 0 N-CA-C 111.413 -0.675 . . . . 99.99 111.413 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -96.04 137.17 35.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.841 0.856 . . . . 99.99 109.666 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -83.99 74.74 10.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.574 0.75 . . . . 99.99 110.284 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . 0.516 HG21 ' HB2' ' E' ' 111' ' ' LEU . 27.1 m 59.1 101.52 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.086 1.354 . . . . 99.99 112.496 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -76.81 -22.09 54.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.041 0.536 . . . . 99.99 111.495 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -82.24 165.24 20.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.605 0.762 . . . . 99.99 111.333 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.63 98.33 6.88 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.52 -0.764 . . . . 99.99 109.941 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.516 ' HB2' HG21 ' E' ' 107' ' ' THR . 18.9 tp -93.42 53.1 1.84 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.395 1.078 . . . . 99.99 109.035 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . 0.588 HD21 ' HB3' ' D' ' 41' ' ' LYS . 67.3 t30 66.64 150.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 126.377 1.871 . . . . 99.99 110.859 -166.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -154.33 33.51 0.42 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.472 0.709 . . . . 99.99 110.383 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 46.0 tptt 69.93 138.88 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.566 1.146 . . . . 99.99 111.908 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . 0.54 ' H ' ' HG3' ' D' ' 41' ' ' LYS . 25.5 m 74.39 139.93 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.006 1.722 . . . . 99.99 113.061 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.55 -162.05 25.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.576 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.34 129.1 6.93 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 107.51 -1.293 . . . . 99.99 107.51 173.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.37 102.23 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.797 2.331 . . . . 99.99 113.152 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.76 -20.12 61.24 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.702 0.801 . . . . 99.99 109.715 166.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -145.18 148.61 33.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.234 1.414 . . . . 99.99 107.6 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 60.1 t 65.98 74.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.441 1.096 . . . . 99.99 109.757 -172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 2.4 m -134.29 151.64 51.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.834 0.854 . . . . 99.99 109.781 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.46 163.54 32.55 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 107.691 -1.226 . . . . 99.99 107.691 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' B' ' 15' ' ' ARG . 58.5 m -65.38 -13.19 58.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.265 0.626 . . . . 99.99 111.799 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.64 66.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.81 1.244 . . . . 99.99 112.132 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -25.32 64.81 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.989 0.916 . . . . 96.83 111.706 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 13.3 p -115.92 103.89 11.06 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.328 1.051 . . . . 99.99 109.478 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.428 ' HB2' HH22 ' B' ' 15' ' ' ARG . . . -152.82 41.3 0.58 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.084 0.554 . . . . 74.48 111.443 -174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 25.5 m -79.79 82.31 5.91 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.925 0.869 . . . . 99.99 109.84 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.46 84.69 1.37 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.487 -1.233 . . . . 99.99 108.451 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.538 ' HB2' ' HG3' ' D' ' 124' ' ' PRO . 1.8 t-105 -160.27 115.75 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.824 0.85 . . . . 99.99 109.686 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 29.1 t -170.77 141.25 1.77 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.433 1.493 . . . . 99.99 107.566 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 8.3 p -147.84 -64.77 0.26 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.557 0.743 . . . . 99.99 109.122 170.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.84 59.38 6.04 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 115.818 -0.628 . . . . 89.58 112.446 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.65 133.9 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 123.64 0.776 . . . . 99.99 110.705 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' E' ' 136' ' ' LYS . 0.0 OUTLIER -163.19 58.32 0.19 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.982 0.913 . . . . 99.99 111.008 -173.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.642 HG22 ' HA3' ' E' ' 162' ' ' GLY . 27.3 p -135.16 126.21 27.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.887 0.875 . . . . 99.99 109.42 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -122.03 159.39 27.13 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.917 0.887 . . . . 99.99 109.733 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -98.49 168.54 10.12 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.657 0.741 . . . . 99.99 111.884 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.489 ' HA2' ' HB3' ' E' ' 158' ' ' ALA . . . -76.66 75.91 1.6 Allowed Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.375 -1.284 . . . . 99.99 112.319 171.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' E' ' 145' ' ' ASP . . . 59.32 12.91 2.84 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.212 1.405 . . . . 99.99 114.004 174.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 27.2 tp 66.98 77.39 0.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.905 1.282 . . . . 99.99 111.006 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 120.88 -60.65 0.53 Allowed Glycine 0 C--N 1.344 0.989 0 CA-C-N 116.397 -0.365 . . . . 99.99 112.388 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.54 124.14 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.278 1.031 . . . . 99.99 108.32 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.456 ' HA ' ' HB3' ' E' ' 141' ' ' ALA . 10.7 t70 -86.3 124.56 32.8 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.049 -0.352 . . . . 99.99 110.049 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.2 mp -134.61 89.8 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 108.456 -0.942 . . . . 99.99 108.456 163.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -136.5 102.04 4.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.555 -1.276 . . . . 99.99 107.555 160.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.84 -39.39 51.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.083 -0.962 . . . . 99.99 110.24 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -111.28 101.19 9.69 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -129.54 150.73 50.75 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.86 0.864 . . . . 99.99 109.464 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -99.63 -39.39 0.23 Allowed Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 117.453 -1.26 . . . . 99.99 114.235 -175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -69.92 -39.88 5.71 Favored 'Trans proline' 0 C--N 1.398 3.145 0 CA-C-N 122.727 2.01 . . . . 99.99 112.559 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 86.7 m -72.95 121.29 19.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.798 -0.816 . . . . 99.99 108.798 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 46.0 mm -77.39 -41.99 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.996 -1.002 . . . . 99.99 110.602 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.676 ' HG ' ' HG3' ' E' ' 156' ' ' GLU . 29.4 tp -87.15 -70.18 0.63 Allowed 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 119.033 -0.508 . . . . 99.99 111.913 -171.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . 0.676 ' HG3' ' HG ' ' E' ' 155' ' ' LEU . 0.0 OUTLIER -153.6 -91.31 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 118.752 0.705 . . . . 99.99 112.282 -176.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' E' ' 156' ' ' GLU . 5.4 mpp? -93.67 175.64 6.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.697 1.199 . . . . 99.99 109.853 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . 0.489 ' HB3' ' HA2' ' E' ' 140' ' ' GLY . . . -80.03 51.32 1.34 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.114 0.959 . . . . 99.99 111.146 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -77.75 -26.97 50.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.597 1.559 . . . . 99.99 110.231 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.28 -38.82 82.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.273 -0.876 . . . . 99.99 110.656 174.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 68.74 -71.89 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.603 1.561 . . . . 99.99 111.948 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . 0.642 ' HA3' HG22 ' E' ' 137' ' ' THR . . . -153.99 14.5 0.58 Allowed Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.959 -0.564 . . . . 99.99 112.081 175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.37 111.52 21.84 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.037 -1.097 . . . . 99.99 108.037 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.44 -43.62 0.5 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.82 1.648 . . . . 99.99 111.882 -173.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 44.7 p -77.58 74.0 4.14 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.157 0.983 . . . . 99.99 110.446 173.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -126.52 165.13 19.84 Favored Glycine 0 C--N 1.339 0.74 0 CA-C-N 114.696 -1.138 . . . . 99.99 110.308 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 58.54 20.43 7.57 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.9 0.88 . . . . 99.99 111.793 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.48 10.42 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.271 1.028 . . . . 99.99 111.514 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 39.1 p -52.96 -53.72 45.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.4 1.48 . . . . 99.99 111.403 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 23.1 p -131.57 22.07 4.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.287 1.035 . . . . 99.99 110.329 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.27 -31.53 72.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.053 0.541 . . . . 99.99 111.874 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . 0.261 13.1 pt-20 53.57 -66.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.314 2.246 . . . . 99.99 114.855 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.69 78.59 9.28 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.413 -0.804 . . . . 99.99 109.93 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.94 87.63 3.49 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.943 -1.502 . . . . 99.99 106.943 166.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.5 -75.9 0.06 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.561 0.744 . . . . 99.99 111.028 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -165.79 67.33 0.12 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.064 -0.717 . . . . 99.99 109.064 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 24.6 m 56.88 78.27 0.38 Allowed Pre-proline 0 CA--C 1.562 1.441 0 CA-C-N 114.788 -1.096 . . . . 99.99 110.205 -174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -69.38 160.89 48.06 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.079 2.519 . . . . 99.99 113.832 -169.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.26 -168.87 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.138 0.975 . . . . 99.99 111.103 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 74.57 175.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.063 1.345 . . . . 99.99 111.458 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . 0.445 ' HG ' HG22 ' E' ' 185' ' ' VAL . 31.2 tp -90.32 134.65 34.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.74 166.74 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.085 0.954 . . . . 99.99 109.808 -167.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 75.17 76.18 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.165 1.386 . . . . 99.99 111.513 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 71.43 -54.92 0.67 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 126.66 1.984 . . . . 99.99 113.067 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . 0.759 HG11 ' HB3' ' E' ' 189' ' ' LYS . 96.5 t 80.39 -54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.524 1.93 . . . . 99.99 111.581 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.8 m 81.78 -29.15 0.11 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.835 1.654 . . . . 99.99 112.307 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . 0.413 ' H ' HG12 ' E' ' 185' ' ' VAL . 40.6 t -135.45 115.72 13.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.721 0.409 . . . . 99.99 111.985 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 66.86 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.35 1.46 . . . . 99.99 112.914 165.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . 0.759 ' HB3' HG11 ' E' ' 185' ' ' VAL . 16.5 pttp 63.12 -55.09 0.18 Allowed 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 127.76 2.424 . . . . 99.99 114.058 -174.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.38 71.18 10.7 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.024 0.93 . . . . 99.99 110.582 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.1 t80 64.78 -79.64 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.856 1.262 . . . . 99.99 110.95 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 164.04 76.74 0.03 OUTLIER Glycine 0 C--N 1.341 0.835 0 N-CA-C 110.476 -1.05 . . . . 99.99 110.476 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.25 -45.92 0.4 Allowed 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.784 2.322 . . . . 99.99 111.821 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 11.7 t 62.57 178.9 0.14 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.832 1.253 . . . . 99.99 110.978 -175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 72.06 -64.86 0.37 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.47 1.508 . . . . 99.99 111.678 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 75.1 p 55.59 72.65 0.47 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.777 1.631 . . . . 99.99 111.464 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.6 m -84.05 175.63 9.38 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 114.841 -1.072 . . . . 99.99 111.606 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.44 -4.09 52.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.818 -0.628 . . . . 99.99 110.663 173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 75.44 -73.3 0.09 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 125.701 1.601 . . . . 99.99 110.897 172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 7.9 p -156.97 80.99 3.4 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.041 -1.096 . . . . 99.99 108.041 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.81 86.1 0.47 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.864 2.376 . . . . 99.99 112.494 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -73.17 75.96 0.92 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.714 -0.675 . . . . 99.99 112.223 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -125.47 175.14 7.72 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.106 . . . . 99.99 108.979 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.48 86.44 1.55 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.237 0.615 . . . . 99.99 109.834 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -70.61 168.67 15.91 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.931 0.892 . . . . 99.99 112.472 -174.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -127.27 162.09 27.04 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.553 1.141 . . . . 99.99 108.428 168.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -65.38 1.02 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 58.94 -137.84 50.09 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.012 0.82 . . . . 99.99 112.671 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 68.6 -88.32 0.21 Allowed Glycine 0 C--N 1.349 1.285 0 C-N-CA 123.896 0.76 . . . . 99.99 112.303 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -79.41 77.52 5.96 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.213 1.006 . . . . 99.99 110.575 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -157.49 125.93 1.65 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.959 -1.256 . . . . 99.99 109.959 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 21.0 m 60.62 31.86 20.26 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.173 0.989 . . . . 99.99 110.427 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.32 -25.62 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.2 0.6 . . . . 99.99 112.044 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 24.9 p -71.59 -35.46 70.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.239 0.616 . . . . 99.99 110.211 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.36 -47.05 58.76 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.405 0.682 . . . . 99.99 111.108 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.99 -20.11 65.0 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.436 -0.209 . . . . 99.99 110.436 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 68.4 tp 71.0 -78.91 0.04 OUTLIER 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.428 1.491 . . . . 99.99 109.862 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 63.8 tp 179.63 90.67 0.02 OUTLIER 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.446 -2.057 . . . . 99.99 105.446 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -61.67 -59.26 5.45 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.563 0.54 . . . . 99.99 110.722 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.86 -77.23 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.857 1.348 . . . . 99.99 112.831 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 86.9 77.75 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.624 1.97 . . . . 99.99 109.03 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 56.87 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.774 1.63 . . . . 99.99 112.028 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.69 -53.86 2.65 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.691 0.796 . . . . 99.99 110.734 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' E' ' 231' ' ' LYS . 25.6 m -73.06 -164.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.318 0.647 . . . . 99.99 111.962 -174.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 58.5 m -118.05 114.05 22.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.316 1.046 . . . . 99.99 109.142 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 9.0 mp 71.6 -63.28 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.969 1.708 . . . . 99.99 112.444 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -178.21 173.84 46.24 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.33 -0.308 . . . . 99.99 112.33 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 66.63 -153.21 52.49 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 122.777 0.227 . . . . 99.99 112.662 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -93.73 33.2 5.32 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-O 119.902 -0.388 . . . . 99.99 112.317 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -75.63 78.71 2.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.607 0.763 . . . . 99.99 110.364 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' E' ' 224' ' ' VAL . 30.8 tttm -171.5 -149.36 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 106.729 -1.582 . . . . 99.99 106.729 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 14.6 t 46.12 50.23 11.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.558 1.543 . . . . 99.99 112.372 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.4 t80 67.6 -73.05 0.08 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.548 1.539 . . . . 99.99 110.655 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.72 -67.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.999 1.72 . . . . 99.99 113.804 172.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -42.64 -37.71 1.79 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.478 1.911 . . . . 99.99 114.614 -173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 23.1 m 70.02 -76.09 0.07 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.622 1.201 . . . . 99.99 109.724 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -90.2 156.62 18.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.417 0.687 . . . . 99.99 109.975 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 28.8 p -79.57 -52.81 7.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.42 0.688 . . . . 99.99 110.743 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -163.68 135.69 4.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.429 0.692 . . . . 99.99 109.838 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -103.73 14.28 53.32 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 112.337 -0.305 . . . . 99.99 112.337 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . 0.676 ' HB3' HE22 ' E' ' 243' ' ' GLN . 14.5 mp0 -99.98 -85.54 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.971 0.908 . . . . 99.99 109.73 -175.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 15.9 m0 47.52 86.37 0.02 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.201 1.4 . . . . 99.99 113.069 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.676 HE22 ' HB3' ' E' ' 241' ' ' GLU . 24.8 mp0 -83.74 48.1 1.39 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.052 0.941 . . . . 99.99 110.591 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 75.06 -154.65 46.77 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.226 -0.443 . . . . 99.99 112.432 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -108.34 -60.62 1.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.79 0.836 . . . . 99.99 110.293 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.522 HG23 HD12 ' E' ' 247' ' ' LEU . 7.8 t -169.86 -28.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.882 0.473 . . . . 99.99 111.895 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.522 HD12 HG23 ' E' ' 246' ' ' THR . 8.1 mp -64.69 -18.23 64.8 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.633 0.773 . . . . 99.99 112.065 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -68.2 -34.17 75.77 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.254 1.021 . . . . 99.99 111.683 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.38 -21.65 65.6 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.428 0.691 . . . . 99.99 111.004 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.31 -16.01 41.52 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.331 1.052 . . . . 99.99 112.078 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -54.04 -13.87 0.91 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.136 1.374 . . . . 99.99 114.398 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.51 -25.34 25.0 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.804 0.841 . . . . 99.99 112.367 170.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.05 71.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.219 1.007 . . . . 99.99 111.538 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 71.3 -77.39 0.06 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.751 1.62 . . . . 99.99 110.609 173.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 75.9 -175.93 51.62 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.651 -0.527 . . . . 99.99 113.047 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 71.2 t80 68.35 -12.19 0.35 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.568 1.147 . . . . 99.99 113.774 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -74.34 158.11 34.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.911 1.284 . . . . 99.99 109.88 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 45.8 tp 74.24 166.03 0.29 Allowed 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.635 1.174 . . . . 99.99 110.525 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 58.2 t 80.41 -55.97 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 126.679 1.992 . . . . 99.99 110.194 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 97.61 7.17 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.273 0.629 . . . . 99.99 109.349 175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.06 86.37 3.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 122.117 0.961 . . . . 99.99 110.335 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -83.21 -0.57 50.0 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.197 -0.91 . . . . 99.99 110.922 171.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -73.4 4.52 4.63 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.277 1.431 . . . . 99.99 114.19 -174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 24.8 m -42.5 -76.17 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.153 1.381 . . . . 99.99 113.317 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 10.1 mp 57.8 -71.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.701 1.6 . . . . 99.99 114.875 169.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -43.19 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.385 1.874 . . . . 99.99 112.921 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 24.9 m 65.71 -72.15 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.598 1.559 . . . . 99.99 111.831 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.288 10.5 p 51.38 -70.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 127.732 2.413 . . . . 99.99 114.066 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 43.0 p -135.98 76.99 1.64 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.801 0.84 . . . . 99.99 109.979 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' E' ' 273' ' ' GLN . 0.6 OUTLIER 67.17 126.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.938 1.295 . . . . 99.99 111.016 177.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -53.78 -42.59 68.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.453 1.101 . . . . 99.99 113.351 -174.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.602 ' HB3' ' HA2' ' E' ' 279' ' ' GLY . 24.5 m-80 -87.97 -46.93 8.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.903 0.481 . . . . 99.99 110.75 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' E' ' 270' ' ' GLU . 78.2 mt-30 -71.28 -15.22 62.41 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.577 0.751 . . . . 99.99 112.515 -175.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -66.91 -37.1 83.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.386 0.674 . . . . 99.99 110.121 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -82.08 145.48 53.02 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.293 1.037 . . . . 99.99 110.738 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.412 ' HB2' ' OH ' ' C' ' 56' ' ' TYR . 32.4 Cg_exo -57.69 -53.11 4.91 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 123.453 2.768 . . . . 99.99 113.604 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 63.7 tp -141.84 89.03 2.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.311 0.644 . . . . 99.99 109.3 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 21.6 tp -167.09 132.0 2.03 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.844 0.858 . . . . 99.99 109.191 173.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . 0.602 ' HA2' ' HB3' ' E' ' 272' ' ' ASN . . . -156.72 55.57 0.39 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' C' ' 95' ' ' ALA . 31.9 tp -166.27 164.46 17.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.526 0.73 . . . . 99.99 109.114 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 78.2 -52.63 0.5 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.073 1.749 . . . . 99.99 111.395 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.36 70.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.567 0.747 . . . . 99.99 110.336 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.55 111.15 23.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.135 0.974 . . . . 99.99 108.392 169.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -85.42 94.13 1.89 Allowed Glycine 0 C--N 1.344 0.985 0 O-C-N 123.712 0.632 . . . . 99.99 112.134 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.26 -35.29 75.94 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.543 0.737 . . . . 99.99 110.801 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.479 ' HG3' ' HD1' ' C' ' 133' ' ' PHE . 1.3 pmm? -87.67 119.07 70.51 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.194 0.998 . . . . 99.99 110.059 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -74.88 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.371 1.725 0 C-N-CA 121.844 1.696 . . . . 99.99 110.596 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.579 HG12 ' H ' ' E' ' 290' ' ' TRP . 66.9 t -63.42 -65.88 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.306 -0.861 . . . . 99.99 110.136 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 58.95 13.77 2.99 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.818 1.247 . . . . 99.99 113.485 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.579 ' H ' HG12 ' E' ' 288' ' ' VAL . 5.9 t-105 58.71 104.19 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.918 1.287 . . . . 99.99 110.888 -176.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.9 11.1 2.84 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.657 0.783 . . . . 99.99 112.668 -170.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -132.59 101.06 0.44 Allowed Glycine 0 C--N 1.341 0.845 0 CA-C-O 119.013 -0.882 . . . . 99.99 111.294 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.22 25.4 0.34 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.954 2.436 . . . . 99.99 113.762 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -73.87 92.74 2.09 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.622 1.169 . . . . 99.99 110.178 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -74.13 102.67 4.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.124 -1.065 . . . . 99.99 108.124 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 70.3 p -61.38 179.83 0.2 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.417 1.087 . . . . 99.99 113.046 -172.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.7 83.45 0.16 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.909 1.284 . . . . 99.99 110.831 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -118.36 6.94 11.87 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.107 0.963 . . . . 99.99 109.91 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -146.69 -171.59 16.15 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.144 -0.48 . . . . 99.99 112.533 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.38 136.87 50.02 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.791 0.837 . . . . 99.99 110.769 -176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 11.9 tt -117.68 88.06 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.326 0 C-N-CA 124.175 0.99 . . . . 99.99 108.53 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.12 157.95 41.13 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 115.674 -0.693 . . . . 99.99 111.98 -163.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -142.71 135.75 13.93 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.238 1.415 . . . . 99.99 109.422 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.55 164.99 27.79 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.923 2.415 . . . . 99.99 113.352 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -104.55 157.35 17.23 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.032 0.933 . . . . 99.99 111.672 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.464 HG11 HD21 ' E' ' 66' ' ' ASN . 30.6 m -119.33 158.44 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.095 0.958 . . . . 99.99 109.426 173.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 28.1 m -81.08 132.95 35.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.27 0.628 . . . . 99.99 111.71 -172.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 41.7 t -86.76 92.23 8.89 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.945 0.898 . . . . 99.99 110.799 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . 0.509 HG21 ' HA ' ' E' ' 87' ' ' ALA . 6.1 p -146.44 134.25 10.5 Favored Pre-proline 0 N--CA 1.485 1.313 0 C-N-CA 123.448 0.699 . . . . 99.99 111.219 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . 0.419 ' O ' HG21 ' E' ' 68' ' ' ILE . 79.1 Cg_endo -76.76 -26.43 8.22 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.804 2.336 . . . . 99.99 112.901 174.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 63.3 165.46 0.11 Allowed Pre-proline 0 N--CA 1.497 1.879 0 C-N-CA 124.167 0.987 . . . . 99.99 112.779 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.45 110.56 0.47 Allowed 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 122.633 2.222 . . . . 99.99 112.748 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.51 6.86 35.8 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.399 0.679 . . . . 99.99 110.745 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.421 ' H ' ' HB2' ' E' ' 77' ' ' ASP . 2.8 mtm105 66.11 -80.04 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.17 1.388 . . . . 99.99 110.277 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -172.41 -44.18 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.866 1.266 . . . . 99.99 109.995 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 62.55 173.56 0.14 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.216 1.406 . . . . 99.99 112.857 -171.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 36.2 t -144.54 166.58 24.74 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.791 1.636 . . . . 99.99 107.61 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.84 103.87 21.86 Favored Pre-proline 0 N--CA 1.481 1.104 0 N-CA-C 109.672 -0.492 . . . . 99.99 109.672 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -91.11 85.9 0.31 Allowed 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.858 2.372 . . . . 99.99 110.786 172.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m -77.24 77.32 3.78 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.613 -0.721 . . . . 99.99 111.055 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 14.0 tp 51.52 -93.11 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 125.954 1.701 . . . . 99.99 112.595 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 53.38 -77.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 126.158 1.783 . . . . 99.99 114.561 169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -68.13 -27.05 66.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.602 1.161 . . . . 99.99 111.434 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.531 ' HB2' HG21 ' B' ' 55' ' ' VAL . 27.9 ttt -75.59 -37.17 60.05 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.677 0.391 . . . . 99.99 110.499 175.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 22.7 m -62.53 -29.85 70.87 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.819 -0.628 . . . . 99.99 110.42 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -80.27 117.55 21.15 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.923 -0.58 . . . . 99.99 109.443 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -83.48 82.04 8.46 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.081 0.943 . . . . 99.99 110.846 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' B' ' 52' ' ' ALA . . . -84.76 9.98 12.61 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 114.895 -1.048 . . . . 99.99 111.674 174.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 16.5 tt -64.54 -16.01 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 125.391 1.476 . . . . 99.99 112.812 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -29.26 69.66 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.457 0.703 . . . . 99.99 112.268 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.8 -52.23 39.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.483 0.713 . . . . 99.99 109.967 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 4.3 tt 56.23 90.36 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.918 1.386 . . . . 99.99 110.151 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 22.9 t -103.67 165.45 11.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.981 0.512 . . . . 99.99 109.973 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 66.07 95.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.928 1.291 . . . . 99.99 111.95 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -78.35 -35.87 46.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.733 0.813 . . . . 99.99 109.213 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.785 ' HG2' ' HA ' ' B' ' 47' ' ' ALA . 7.4 tp10 66.65 -78.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.956 1.703 . . . . 99.99 111.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.58 92.33 5.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -79.48 86.2 1.23 Allowed Glycine 0 C--N 1.343 0.943 0 N-CA-C 110.716 -0.954 . . . . 99.99 110.716 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 73.27 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.952 1.701 . . . . 99.99 111.357 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 65.31 -173.83 0.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.497 1.519 . . . . 99.99 111.957 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.0 pp -119.98 25.6 9.82 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.406 0.683 . . . . 99.99 111.066 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 71.23 168.66 0.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.987 1.315 . . . . 99.99 110.068 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.98 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.752 -0.833 . . . . 99.99 108.752 173.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 143.0 57.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.413 0.685 . . . . 99.99 110.522 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -83.95 47.96 3.95 Favored Glycine 0 C--N 1.35 1.334 0 C-N-CA 122.843 0.258 . . . . 99.99 112.488 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.49 97.66 6.51 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.783 0.833 . . . . 99.99 109.784 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 43.8 t -158.13 99.19 1.64 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.557 -0.905 . . . . 99.99 108.557 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . 0.463 HD11 HE21 ' E' ' 351' ' ' GLN . 9.7 tt -58.07 108.1 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 123.042 0.537 . . . . 99.99 109.942 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.23 103.28 5.33 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.118 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 58.55 -69.64 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.847 2.059 . . . . 99.99 114.46 167.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . 0.463 HE21 HD11 ' E' ' 348' ' ' ILE . 7.4 tt0 78.81 134.34 0.06 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.288 1.835 . . . . 99.99 109.907 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.8 -27.95 0.18 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.237 1.415 . . . . 99.99 113.513 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -57.96 -18.81 25.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.301 1.44 . . . . 99.99 113.91 -169.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.24 -69.21 0.25 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.617 0.767 . . . . 99.99 111.092 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -173.76 21.31 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.291 0.636 . . . . 99.99 111.004 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 38.06 65.61 2.78 Favored Pre-proline 0 N--CA 1.501 2.108 0 C-N-CA 124.659 1.183 . . . . 99.99 111.717 -167.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.74 94.79 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.091 2.527 . . . . 99.99 113.652 -167.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.5 t -164.52 -88.07 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.059 0.944 . . . . 99.99 108.934 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 61.65 -96.48 0.12 Allowed Glycine 0 C--N 1.358 1.804 0 C-N-CA 123.493 0.568 . . . . 99.99 113.969 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -155.29 141.69 18.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.066 0.947 . . . . 99.99 108.844 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 2.6 mp -81.0 -43.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 109.024 -0.732 . . . . 99.99 109.024 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 131.4 99.77 0.81 Allowed Glycine 0 C--N 1.343 0.959 0 N-CA-C 110.993 -0.843 . . . . 99.99 110.993 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -76.75 81.18 3.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.461 0.705 . . . . 99.99 109.567 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 35.9 m -130.82 115.89 17.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.061 0.945 . . . . 99.99 108.688 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.9 m -72.4 161.51 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.306 0.643 . . . . 99.99 110.564 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -77.85 112.78 15.08 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.053 0.541 . . . . 99.99 110.246 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . 0.693 ' H ' HD13 ' E' ' 367' ' ' LEU . 0.0 OUTLIER -63.6 -6.2 4.98 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.228 1.011 . . . . 99.99 112.049 172.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.63 -35.54 70.62 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.931 1.293 . . . . 99.99 112.006 171.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.33 -33.0 74.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.332 0.653 . . . . 99.99 111.058 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -68.17 -16.71 64.1 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.553 0.741 . . . . 99.99 112.456 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.29 -22.49 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.474 0 C-N-CA 123.499 0.72 . . . . 99.99 111.33 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -59.61 -18.72 43.75 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.414 1.086 . . . . 99.99 112.436 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -23.5 65.41 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 112.018 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -63.29 -18.3 63.45 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.582 0.753 . . . . 99.99 112.422 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.4 -20.87 63.55 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.43 1.092 . . . . 99.99 110.694 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.45 -21.82 62.74 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.734 0.814 . . . . 99.99 112.333 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.31 -25.22 67.75 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.506 0.722 . . . . 99.99 111.484 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.82 -10.21 55.56 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.748 0.819 . . . . 99.99 112.487 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -72.39 -20.17 61.49 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.8 1.24 . . . . 99.99 110.517 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -52.02 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.171 1.388 . . . . 99.99 111.938 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 72.89 -49.54 0.7 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.316 1.847 . . . . 99.99 113.719 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 68.02 -91.45 0.23 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -169.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 69.01 -65.26 0.3 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.359 1.463 . . . . 99.99 113.509 170.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 53.5 p 64.94 83.11 0.17 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.152 1.781 . . . . 99.99 111.084 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 59.9 tp -137.74 103.05 4.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.973 1.309 . . . . 99.99 108.169 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.81 120.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.403 -0.592 . . . . 99.99 109.403 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.27 127.37 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 172.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 125.98 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 C-N-CA 123.568 0.747 . . . . 99.99 111.586 -173.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 11.9 t -142.06 146.14 35.13 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.998 0.919 . . . . 99.99 109.182 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -74.72 89.45 2.28 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -166.23 151.01 8.05 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.026 0.93 . . . . 99.99 109.043 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -103.92 -3.88 24.18 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.18 0.592 . . . . 99.99 112.13 -171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -69.01 128.47 36.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.647 0.379 . . . . 99.99 110.646 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -73.32 -19.57 61.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.562 0.745 . . . . 99.99 110.787 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . 0.466 ' O ' HG22 ' E' ' 398' ' ' ILE . . . -141.03 155.07 46.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.27 1.028 . . . . 99.99 108.7 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 26.6 m -77.09 -0.01 23.17 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 111.993 0.368 . . . . 99.99 111.993 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.402 ' NE2' ' HB1' ' E' ' 395' ' ' ALA . 5.4 pm0 -136.6 10.98 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.676 0.79 . . . . 99.99 112.222 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . 0.474 HG13 HG23 ' E' ' 399' ' ' VAL . 9.1 tp -78.38 126.75 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.66 -0.496 . . . . 99.99 109.66 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.474 HG23 HG13 ' E' ' 398' ' ' ILE . 90.4 t 65.26 -72.06 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.392 1.477 . . . . 99.99 112.05 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -51.97 129.67 38.88 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.543 1.137 . . . . 99.99 111.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.74 123.65 11.31 Favored 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 122.335 2.023 . . . . 99.99 112.994 -166.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 36.9 t0 170.53 111.58 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.071 1.748 . . . . 99.99 106.414 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 t -88.49 68.18 8.72 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-O 122.106 0.955 . . . . 99.99 110.91 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.84 -31.88 68.74 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.621 -0.718 . . . . 99.99 110.982 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.95 23.45 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.86 0.864 . . . . 99.99 109.773 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.85 122.51 9.65 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 122.847 2.365 . . . . 99.99 111.51 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -150.72 -113.92 0.63 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 119.174 -0.792 . . . . 99.99 111.883 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 7.2 mp 59.57 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.301 1.44 . . . . 99.99 111.441 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 70.5 p -88.76 -44.04 10.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.202 0.601 . . . . 99.99 109.635 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 60.6 19.92 9.82 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.907 1.283 . . . . 99.99 111.613 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -158.02 143.15 16.67 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.764 0.826 . . . . 99.99 109.445 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 94.7 mt -114.48 110.05 19.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.836 0.854 . . . . 99.99 108.908 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 75.11 -64.93 0.36 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 125.175 1.39 . . . . 99.99 112.623 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 10.1 m 74.25 -69.59 0.18 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.616 1.566 . . . . 99.99 112.479 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -65.37 -25.83 67.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.919 0.888 . . . . 99.99 110.749 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -126.31 4.88 7.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.954 0.901 . . . . 99.99 111.974 173.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.28 69.12 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.882 -1.287 . . . . 99.99 109.882 167.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.31 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.545 1.538 . . . . 99.99 113.762 164.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 11.3 t 62.28 21.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 C-N-CA 124.765 1.226 . . . . 99.99 110.59 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.41 109.03 4.54 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.681 -0.637 . . . . 99.99 109.453 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.91 158.02 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 99.99 109.94 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 56.5 ttp 76.34 -71.18 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.258 1.423 . . . . 99.99 111.746 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 36.8 p -91.54 18.8 6.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 112.951 0.723 . . . . 99.99 112.951 -170.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.49 -49.43 14.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.0 0.52 . . . . 99.99 109.825 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 127.28 -61.38 0.64 Allowed Glycine 0 C--N 1.343 0.968 0 CA-C-N 116.081 -0.509 . . . . 99.99 112.144 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 75.75 -56.41 0.6 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.492 1.517 . . . . 99.99 110.639 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 58.5 m -154.04 -166.13 2.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.877 1.271 . . . . 99.99 108.245 163.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' E' ' 433' ' ' GLU . 37.6 mm-40 -55.99 -100.1 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.919 0.888 . . . . 99.99 110.927 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.87 -66.99 0.87 Allowed 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.149 -0.969 . . . . 99.99 109.364 165.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.11 -80.4 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 CA-C-N 118.119 0.418 . . . . 99.99 110.562 164.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 49.9 m -113.89 -62.42 1.6 Allowed 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.046 1.403 . . . . 99.99 114.391 172.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -1.91 57.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 112.603 -2.089 . . . . 99.99 114.589 -143.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' E' ' 428' ' ' GLU . 10.8 mp0 -76.48 11.52 1.58 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.864 0.69 . . . . 99.99 112.864 -164.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -47.33 116.37 1.39 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.401 1.08 . . . . 99.99 109.254 159.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 25.7 m 72.47 -73.22 0.1 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.056 1.342 . . . . 99.99 111.635 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 90.87 -50.36 3.14 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.93 0.3 . . . . 99.99 112.355 -177.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 47.7 m 61.11 75.84 0.39 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.496 1.519 . . . . 99.99 110.836 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -93.41 10.55 31.79 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.646 -0.706 . . . . 99.99 110.602 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 79.9 mt 61.64 -143.21 0.45 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.252 1.021 . . . . 99.99 109.632 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 72.68 108.08 0.07 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.864 1.266 . . . . 99.99 111.748 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.5 mt 70.13 -69.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 125.676 1.591 . . . . 99.99 109.968 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -77.26 -177.66 4.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.394 1.078 . . . . 99.99 111.034 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 65.31 30.16 11.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.524 1.13 . . . . 99.99 111.786 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 35.3 t80 72.9 123.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 125.604 1.562 . . . . 99.99 110.871 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -99.63 -163.95 29.24 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.558 -0.579 . . . . 99.99 112.763 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.68 169.94 14.94 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.118 2.545 . . . . 99.99 113.093 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -95.04 3.6 54.69 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.721 0.808 . . . . 99.99 111.456 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 68.56 -79.62 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.467 1.507 . . . . 99.99 111.543 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 69.87 122.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.324 1.449 . . . . 99.99 112.549 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -138.82 -64.13 0.52 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.43 1.092 . . . . 99.99 110.547 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 6.2 p -158.71 126.45 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 123.529 0.732 . . . . 99.99 111.256 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 58.3 t -88.39 155.93 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 123.856 0.862 . . . . 99.99 110.014 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -143.18 -8.59 0.53 Allowed Glycine 0 C--N 1.349 1.29 0 C-N-CA 123.632 0.634 . . . . 99.99 112.343 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 65.6 tp -74.91 85.14 2.23 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 123.358 0.663 . . . . 99.99 110.461 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 p -108.15 74.17 0.92 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.926 0.89 . . . . 99.99 108.6 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.77 36.25 26.3 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.858 -1.519 . . . . 99.99 111.387 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.09 -85.22 0.03 OUTLIER 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.297 -0.631 . . . . 99.99 109.297 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 74.1 m 47.99 75.24 0.14 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.062 0.945 . . . . 99.99 111.867 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.11 168.74 18.46 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.544 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 45' ' ' ASP . 56.7 tp -159.6 128.04 5.02 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.255 0.622 . . . . 99.99 109.679 172.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.42 ' CD2' HD12 ' A' ' 136' ' ' LEU . 26.5 m-85 -85.29 170.78 12.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.209 -0.905 . . . . 99.99 111.069 171.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 44' ' ' LEU . 2.3 p90 -144.97 89.49 1.97 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 132' ' ' ASN . 2.6 m -130.01 157.73 41.55 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.808 -1.087 . . . . 99.99 109.654 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.6 107.88 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.573 1.149 . . . . 99.99 109.795 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' E' ' 465' ' ' LYS . 0.3 OUTLIER -83.13 45.13 0.99 Allowed 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.533 0.682 . . . . 99.99 110.008 -178.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . 0.661 ' HB1' HG12 ' A' ' 40' ' ' VAL . . . 50.27 -90.54 0.02 OUTLIER 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.006 1.722 . . . . 99.99 111.593 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' E' ' 471' ' ' LYS . . . 62.94 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.177 1.391 . . . . 99.99 111.511 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.2 -68.8 0.21 Allowed 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.55 1.54 . . . . 99.99 109.621 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -178.56 -32.95 0.05 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.004 -0.838 . . . . 99.99 111.004 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.21 -28.31 68.66 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.885 0.874 . . . . 99.99 111.883 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.514 ' HB2' ' H ' ' A' ' 40' ' ' VAL . 32.1 ttpt . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.249 -1.019 . . . . 99.99 108.249 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.855 -0.424 . . . . 99.99 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -151.63 -178.61 6.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.292 1.037 . . . . 99.99 109.222 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.96 -20.4 57.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.002 0.521 . . . . 99.99 111.181 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -121.45 175.19 6.31 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.247 1.019 . . . . 99.99 108.551 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.65 ' HB2' HG21 ' A' ' 10' ' ' THR . 10.4 m120 -50.03 -50.99 45.7 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.881 1.272 . . . . 99.99 112.496 -175.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 87' ' ' ALA . 24.6 t-20 57.2 81.54 0.14 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.565 1.146 . . . . 99.99 111.894 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -137.39 -86.53 0.3 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 122.868 0.467 . . . . 99.99 110.876 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.89 -48.22 3.81 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.715 0.806 . . . . 99.99 109.368 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.83 134.41 18.68 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.65 HG21 ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -163.67 122.49 1.99 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.303 1.041 . . . . 99.99 108.647 175.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 85' ' ' SER . 1.2 t80 -137.64 137.01 38.02 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -140.83 130.49 24.16 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -69.72 107.49 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 107.523 -1.288 . . . . 63.61 107.523 167.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -76.04 -36.98 58.85 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.151 -0.932 . . . . 99.99 109.228 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' HD12 ' A' ' 83' ' ' ILE . 39.8 ttt180 -172.74 122.26 0.42 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.42 -0.585 . . . . 87.02 109.42 -168.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.2 mt -120.1 135.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.549 -1.278 . . . . 27.8 107.549 171.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.63 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 36.5 p90 -161.19 168.83 23.45 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.871 0.732 . . . . 37.37 111.464 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.4 p -87.44 114.13 23.77 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.881 -1.054 . . . . 12.57 109.035 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 28.9 mtpt -76.14 -33.38 59.4 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.243 -0.435 . . . . 37.56 110.001 171.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -147.07 144.43 29.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.384 0.674 . . . . 38.09 110.005 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.3 mt -140.22 138.7 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.776 1.231 . . . . 5.43 108.216 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 t -144.33 130.07 19.2 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.989 0.916 . . . . 6.92 108.879 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 76' ' ' CYS . 78.2 t80 -139.18 136.89 35.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.165 -1.42 . . . . 5.61 107.165 172.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 49.1 mt-10 -140.72 127.1 19.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.107 0.563 . . . . 36.27 109.602 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.81 75.48 16.04 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.166 0.986 . . . . 12.68 109.118 172.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.87 -20.78 29.18 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.523 2.149 . . . . 32.78 110.079 168.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -97.73 16.58 20.22 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.798 1.239 . . . . 80.05 109.972 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.54 99.73 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 123.788 0.835 . . . . 31.49 113.034 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 64.7 Cg_endo -78.33 -11.42 15.98 Favored 'Trans proline' 0 C--N 1.39 2.727 0 C-N-CA 121.772 1.648 . . . . 44.68 112.911 172.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 11.1 m170 -88.63 -19.29 26.44 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.687 0.795 . . . . 99.99 111.633 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.85 -26.3 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 124.253 1.021 . . . . 99.99 112.665 -173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.29 -40.06 92.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.113 0.965 . . . . 99.99 111.722 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -78.33 -22.56 47.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.628 0.771 . . . . 99.99 111.371 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -76.26 162.58 27.81 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.717 0.807 . . . . 99.99 111.45 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -90.32 118.03 29.5 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.89 -1.152 . . . . 99.99 107.89 168.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.792 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.4 t-105 -74.81 87.21 2.24 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.133 0.492 . . . . 99.99 111.266 -177.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -151.45 74.49 8.08 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.386 -1.339 . . . . 99.99 107.386 163.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.678 ' HD2' HD22 ' E' ' 470' ' ' LEU . 96.5 Cg_endo -80.53 140.46 13.37 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.471 2.114 . . . . 57.34 112.639 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.14 100.5 12.3 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.455 -1.683 . . . . 99.99 106.455 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' HB ' HD12 ' E' ' 468' ' ' LEU . 22.1 t -87.65 105.5 15.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.045 -0.98 . . . . 48.36 109.319 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HA ' ' HB1' ' E' ' 467' ' ' ALA . 61.9 tttm -76.93 133.0 39.37 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 99.99 110.414 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.627 HD22 HD21 ' E' ' 468' ' ' LEU . 35.0 tp -122.09 110.8 16.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.334 0.654 . . . . 97.85 110.095 -176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.5 m-20 -102.79 141.93 34.78 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.038 0.935 . . . . 85.15 109.576 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 133' ' ' PHE . 5.2 mp -119.21 145.51 45.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.587 0.755 . . . . 99.99 109.931 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 61' ' ' ARG . 30.0 t70 -161.3 154.5 21.29 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.614 0.766 . . . . 78.84 109.113 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.6 m -147.93 147.97 30.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.205 0.602 . . . . 43.33 111.316 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' HH22 ' A' ' 61' ' ' ARG . . . -145.03 111.8 5.84 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 124.032 0.933 . . . . 41.53 109.913 173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.3 p -90.21 152.15 21.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.064 0.545 . . . . 88.8 109.623 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.9 t -164.32 118.75 1.44 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.347 0.659 . . . . 73.87 109.891 -169.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -83.93 127.78 34.09 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.902 0.319 . . . . 99.99 110.565 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.7 mt -98.16 -32.82 11.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.046 0.938 . . . . 99.99 111.912 -171.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -164.57 -168.91 1.61 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.46 0.704 . . . . 99.99 110.63 -174.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -71.53 115.94 11.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.359 0.664 . . . . 99.99 109.471 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 73.4 -9.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.939 1.696 . . . . 99.99 112.377 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 56.9 t -102.93 123.78 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 86' ' ' ILE . 35.6 p90 -139.64 170.4 15.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.986 -0.746 . . . . 99.99 108.986 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.71 ' HB2' HD11 ' A' ' 51' ' ' LEU . 41.2 tt0 -130.06 145.52 51.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.144 0.978 . . . . 57.04 109.158 177.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.54 126.81 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.332 -1.358 . . . . 54.22 107.332 166.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.15 124.52 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.532 -0.914 . . . . 29.36 108.532 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.58 115.62 28.9 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.395 0.678 . . . . 19.86 109.435 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -89.08 129.91 35.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.898 1.279 . . . . 99.99 109.87 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.89 129.29 72.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 107.768 -1.197 . . . . 13.6 107.768 171.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 7.8 m -122.12 112.28 18.03 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.358 0.599 . . . . 17.22 109.632 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.714 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 70.0 t -103.07 106.67 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.378 1.471 . . . . 14.92 109.019 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.1 m -116.42 137.04 52.48 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 108.335 -0.987 . . . . 21.43 108.335 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.48 126.0 49.29 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.715 -0.476 . . . . 23.61 109.715 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -105.94 124.64 49.89 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.699 -1.222 . . . . 57.75 107.699 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 36' ' ' TRP . 14.9 tp -117.28 84.88 2.23 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.949 -0.76 . . . . 99.99 108.949 -169.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.2 -107.17 2.41 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.811 -1.316 . . . . 93.1 109.811 -166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.43 -24.94 11.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.756 0.822 . . . . 99.99 110.718 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -106.5 135.83 47.32 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.395 1.078 . . . . 99.99 109.463 -174.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 m -55.46 142.91 31.04 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.342 1.057 . . . . 30.12 112.115 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -84.91 -59.75 2.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.777 -0.823 . . . . 22.88 108.777 173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -157.76 168.22 27.82 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.34 -1.3 . . . . 30.01 109.895 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 52.0 tp -132.63 144.13 50.15 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.754 1.222 . . . . 14.44 108.337 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.714 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 67.8 m -146.3 139.19 25.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.812 1.245 . . . . 14.43 107.943 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -149.88 130.41 13.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.699 -0.852 . . . . 35.14 108.699 171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.5 133.57 57.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 123.288 0.635 . . . . 9.47 109.753 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 74.7 mt-30 -103.0 100.26 10.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.19 -0.913 . . . . 43.33 108.82 168.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -87.5 98.68 11.53 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.006 -1.109 . . . . 15.31 108.006 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.8 144.69 17.09 Favored Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.973 -0.851 . . . . 20.02 110.973 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.62 125.08 2.9 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 112.046 -0.422 . . . . 41.88 112.046 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HD3' ' A' ' 15' ' ' ARG . 47.9 mt -80.22 127.64 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 108.421 -0.955 . . . . 66.87 108.421 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.37 130.36 36.79 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.939 1.295 . . . . 77.52 108.118 -174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 73.7 p -91.21 120.3 32.01 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 109.08 -0.711 . . . . 99.99 109.08 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 8.5 tp -107.59 141.43 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.252 -1.018 . . . . 99.99 108.252 170.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 6' ' ' ASN . . . -152.8 136.4 16.03 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 122.359 0.264 . . . . 99.99 111.453 -174.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.1 -33.62 3.99 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.581 -0.736 . . . . 99.99 114.049 172.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.0 mt -122.78 145.28 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.038 -1.097 . . . . 99.99 108.038 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.05 -163.03 1.31 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 123.192 0.597 . . . . 99.99 111.173 -173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.03 -158.1 51.79 Favored Glycine 0 C--N 1.352 1.441 0 C-N-CA 124.032 0.825 . . . . 99.99 113.323 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.5 p -62.68 -29.21 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.732 0.813 . . . . 99.99 111.527 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' H ' ' HG2' ' C' ' 150' ' ' GLU . 49.4 tt0 -57.23 -51.08 70.77 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.088 0.868 . . . . 99.99 110.481 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.542 ' SD ' HD11 ' E' ' 454' ' ' LEU . 15.0 mmt -82.43 -17.6 44.82 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.715 -0.675 . . . . 99.99 111.805 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.23 67.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.266 0.485 . . . . 99.99 110.833 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB3' ' NE2' ' E' ' 457' ' ' GLN . 44.9 m80 -63.93 -29.59 70.75 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.546 0.738 . . . . 99.99 111.042 171.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.663 ' SG ' HD22 ' E' ' 454' ' ' LEU . 43.7 t -68.83 -53.81 19.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.897 0.479 . . . . 99.99 109.951 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.21 -21.81 65.43 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.25 -0.886 . . . . 99.99 112.562 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.29 5.74 19.44 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.13 -0.817 . . . . 99.99 114.608 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.13 -46.49 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 118.893 1.346 . . . . 95.56 111.922 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -72.91 -71.67 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.743 0.417 . . . . 94.48 109.993 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 81.8 m -48.95 -48.14 72.67 Favored Pre-proline 0 CA--C 1.565 1.537 0 N-CA-C 114.629 1.344 . . . . 73.2 114.629 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.75 -44.55 25.29 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.995 1.796 . . . . 48.9 113.062 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.28 -21.03 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.029 0.532 . . . . 94.19 111.031 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -85.62 -28.19 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.553 1.141 . . . . 55.88 110.117 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.19 -22.83 54.85 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.606 0.762 . . . . 21.71 110.716 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -65.97 -40.64 39.61 Favored Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 113.857 1.058 . . . . 15.39 113.857 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -54.22 -38.35 88.13 Favored 'Trans proline' 0 C--N 1.388 2.609 0 C-N-CA 122.517 2.145 . . . . 9.95 113.629 170.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -77.3 -36.49 54.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.142 0.577 . . . . 20.66 110.803 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.82 94.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.923 0.489 . . . . 7.34 109.833 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 128' ' ' LEU . 35.9 ttm180 -56.62 -51.08 70.04 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.18 -1.373 . . . . 15.45 110.55 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.67 -43.97 93.76 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.324 1.015 . . . . 46.26 110.791 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.91 -48.96 78.36 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.87 0.731 . . . . 4.41 110.805 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 64' ' ' VAL . 70.6 mt -61.85 -47.13 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.311 1.044 . . . . 7.34 111.073 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.0 m -56.28 -41.49 75.94 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.06 0.85 . . . . 7.28 110.707 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.4 t -68.43 -43.73 76.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.437 -1.256 . . . . 4.96 110.379 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.6 mtp -59.66 -43.31 93.98 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.737 0.815 . . . . 48.88 112.134 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 114' ' ' ILE . 61.4 t -69.02 -40.54 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 C-N-CA 123.73 0.812 . . . . 26.6 110.441 -178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.1 p -73.36 -28.82 62.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.833 0.453 . . . . 17.97 111.523 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.89 -30.5 67.96 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.637 0.775 . . . . 8.38 109.64 173.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.58 0.11 71.32 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.754 -0.657 . . . . 6.18 113.23 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.535 HG22 HH21 ' B' ' 15' ' ' ARG . 8.3 m 64.29 27.13 13.79 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.876 1.27 . . . . 20.1 110.457 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -96.49 153.57 38.82 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.393 -1.276 . . . . 13.71 108.784 169.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -48.01 149.24 5.91 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.637 2.891 . . . . 20.05 114.517 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.13 130.29 45.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.115 0.966 . . . . 39.31 111.57 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.71 95.61 4.64 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.82 0.848 . . . . 56.76 109.724 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.435 HD22 HD12 ' C' ' 16' ' ' ILE . 4.9 m-20 -98.43 120.75 39.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.083 -1.451 . . . . 38.41 107.083 171.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.536 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.3 mm? -72.6 159.91 33.12 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.732 0.813 . . . . 62.97 112.865 -172.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.58 149.06 77.67 Favored Pre-proline 0 N--CA 1.474 0.742 0 CA-C-N 115.081 -0.963 . . . . 56.46 110.591 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.65 ' HD3' ' HA3' ' E' ' 143' ' ' GLY . 60.3 Cg_endo -71.43 104.05 1.51 Allowed 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 122.848 2.365 . . . . 77.42 111.358 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 44' ' ' LEU . 3.8 p -137.82 120.74 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.684 -173.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.54 ' H ' ' HB3' ' E' ' 460' ' ' LEU . 62.6 t30 -113.65 83.84 1.92 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.706 0.802 . . . . 99.99 111.239 171.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.667 ' H ' HD22 ' A' ' 44' ' ' LEU . 5.8 m-30 -74.61 -27.53 60.5 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.526 0.33 . . . . 99.99 111.107 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.592 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 33.4 t70 -69.62 -22.45 63.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.564 0.54 . . . . 99.99 112.146 -170.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.488 ' HB2' ' ND2' ' A' ' 132' ' ' ASN . . . -59.48 -32.49 70.31 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.821 0.448 . . . . 99.99 111.538 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.46 -34.63 60.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.447 1.099 . . . . 99.99 109.703 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.592 ' HD1' ' HA ' ' A' ' 134' ' ' ASP . 83.1 m-85 -76.26 -24.61 54.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.085 0.554 . . . . 99.99 111.449 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.498 ' HE2' HD21 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -77.15 -41.1 43.14 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.893 -0.781 . . . . 99.99 108.893 174.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -57.16 -38.73 74.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.835 -1.075 . . . . 99.99 110.058 171.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -66.22 -34.84 78.94 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.982 0.913 . . . . 99.99 113.123 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.498 HD21 ' HE2' ' A' ' 138' ' ' MET . 3.0 pp -56.48 -23.38 38.82 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.246 0.832 . . . . 99.99 113.246 -166.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 141' ' ' LEU . 9.3 tt0 -147.74 18.56 1.15 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.561 0.744 . . . . 99.99 110.302 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 38.21 70.18 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 125.386 1.475 . . . . 99.99 111.95 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.55 -17.53 53.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 114.794 -1.094 . . . . 99.99 111.882 -168.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -94.4 18.91 10.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.37 0.668 . . . . 99.99 110.262 167.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.13 28.13 70.14 Favored Glycine 0 C--N 1.357 1.716 0 C-N-CA 123.786 0.707 . . . . 99.99 114.131 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 65.42 -75.05 0.05 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.27 1.428 . . . . 99.99 111.433 -173.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -96.44 61.41 1.24 Allowed Glycine 0 C--N 1.345 1.039 0 CA-C-O 119.564 -0.575 . . . . 99.99 113.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 62.7 m 73.63 -64.31 0.4 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.241 1.416 . . . . 99.99 112.608 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -110.48 -177.76 3.32 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.048 0.939 . . . . 99.99 109.511 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 74.38 124.57 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.183 1.393 . . . . 99.99 111.26 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -82.08 81.76 7.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.45 0.7 . . . . 99.99 110.101 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 70.92 -5.4 1.5 Allowed 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 124.474 1.109 . . . . 99.99 113.082 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.96 132.69 47.61 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.967 0.907 . . . . 99.99 109.726 -171.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 123.344 0.657 . . . . 99.99 110.008 -178.335 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' E' ' 124' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 111.883 0.327 . . . . 99.99 111.883 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 68.38 -71.81 0.11 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.13 1.372 . . . . 99.99 110.41 -167.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -127.04 -173.12 2.81 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.746 1.218 . . . . 99.99 108.721 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -57.35 142.1 44.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.939 0.896 . . . . 99.99 111.087 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -135.94 -83.63 0.38 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.062 0.545 . . . . 99.99 110.498 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.85 136.08 43.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.3 0.64 . . . . 99.99 110.432 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 m 68.89 163.13 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.678 1.191 . . . . 99.99 111.335 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.41 -166.22 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 123.951 0.9 . . . . 99.99 111.562 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.683 ' SD ' HG23 ' B' ' 89' ' ' ILE . 14.9 tpt 68.13 169.87 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.26 1.024 . . . . 99.99 110.961 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.8 t -149.27 114.04 5.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.538 -0.912 . . . . 99.99 108.538 168.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -141.16 119.11 11.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.834 0.853 . . . . 93.55 109.737 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -143.35 128.31 18.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.261 0.624 . . . . 99.99 109.379 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.551 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -69.46 126.48 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 114.965 -1.016 . . . . 40.88 108.265 174.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -101.58 -51.14 3.53 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.263 0.352 . . . . 85.25 110.388 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.535 HH21 HG22 ' A' ' 122' ' ' THR . 19.2 ttt180 -154.06 143.7 21.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.667 0.387 . . . . 95.33 110.861 -178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.603 HD12 HD22 ' D' ' 127' ' ' ASN . 65.2 mt -113.99 138.93 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.645 1.178 . . . . 13.6 107.87 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' HG2' ' B' ' 15' ' ' ARG . 25.0 p90 -165.6 140.93 5.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.047 0.539 . . . . 23.1 111.639 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.589 HG21 HD11 ' B' ' 21' ' ' ILE . 43.0 m -76.98 120.19 21.76 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.303 -0.999 . . . . 6.51 108.303 169.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -85.35 -47.31 10.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 19.94 110.151 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -137.81 145.23 42.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.189 -0.459 . . . . 37.8 111.015 -169.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.589 HD11 HG21 ' B' ' 18' ' ' THR . 42.6 mm -133.99 142.88 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.284 1.434 . . . . 5.14 108.463 174.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -140.2 137.03 34.02 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.493 -0.928 . . . . 19.25 108.493 166.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -147.77 120.46 8.62 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.315 -1.365 . . . . 9.84 107.315 170.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -128.99 122.16 29.5 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.163 -1.051 . . . . 50.65 108.163 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -108.85 87.28 4.38 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 107.9 -1.148 . . . . 18.09 107.9 170.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.89 -21.55 37.54 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.519 2.146 . . . . 31.77 111.854 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 50.7 m-80 -120.9 29.72 7.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.361 1.064 . . . . 49.39 109.908 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.63 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -46.74 -47.89 50.68 Favored Pre-proline 0 CA--C 1.577 1.994 0 N-CA-C 114.713 1.375 . . . . 51.5 114.713 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.81 -28.35 36.59 Favored 'Trans proline' 0 C--N 1.389 2.69 0 C-N-CA 121.791 1.661 . . . . 70.98 112.736 174.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 37.3 m170 -78.64 -31.76 47.05 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.849 0.859 . . . . 99.99 111.914 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 27' ' ' ASN . 33.5 m -76.32 -6.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 122.933 0.493 . . . . 99.99 112.173 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.59 -42.82 93.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.926 0.89 . . . . 99.99 111.158 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 10.8 pt20 -75.59 -25.62 57.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.181 0.592 . . . . 99.99 110.862 177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -94.26 75.61 3.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.406 0.682 . . . . 98.87 110.897 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -96.44 86.2 4.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.66 -0.7 . . . . 99.99 109.369 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 18.8 p90 -157.66 175.69 13.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.743 0.817 . . . . 99.99 110.073 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 113.71 17.72 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 124.267 1.027 . . . . 99.99 108.431 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.6 163.04 40.27 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.76 2.307 . . . . 63.52 113.189 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 36.4 tt0 -74.13 100.66 3.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 169.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' E' ' 7' ' ' ALA . 7.2 p -95.64 140.2 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.226 0.536 . . . . 72.1 110.008 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.626 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 68.4 mttm -143.46 145.05 32.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.118 1.367 . . . . 99.99 107.538 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' E' ' 7' ' ' ALA . 4.1 mm? -113.79 166.68 11.32 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.975 0.417 . . . . 96.73 111.092 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -163.06 114.64 1.49 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.523 -1.288 . . . . 92.63 107.523 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.22 146.25 33.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.723 0.409 . . . . 67.27 110.049 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 0.1 OUTLIER -123.25 146.77 47.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.369 1.068 . . . . 58.71 109.27 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -109.53 104.88 14.01 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.983 -1.008 . . . . 66.97 110.073 -173.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.67 131.11 33.15 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.22 0.608 . . . . 35.64 110.759 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -143.89 168.33 20.21 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.868 0.867 . . . . 74.75 109.395 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -151.15 143.57 24.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.414 0.686 . . . . 43.74 109.326 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -80.45 121.21 25.45 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.517 -0.549 . . . . 89.61 109.517 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' B' ' 57' ' ' GLU . 80.3 mt -91.4 -44.01 9.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.626 0.771 . . . . 71.01 109.556 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.57 -172.59 4.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.642 1.177 . . . . 85.91 109.588 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HD2' ' E' ' 350' ' ' LYS . 8.6 p-10 -70.97 119.59 15.32 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.052 -0.976 . . . . 99.99 110.257 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.32 8.7 5.12 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.288 1.435 . . . . 99.99 112.328 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 94.3 t -120.38 110.35 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.667 1.187 . . . . 76.71 108.303 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.84 151.41 49.08 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.042 0.537 . . . . 98.07 109.637 -174.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.483 ' HB2' HD11 ' B' ' 51' ' ' LEU . 18.2 tt0 -98.05 101.65 13.18 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.873 -1.158 . . . . 46.84 107.873 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.517 HG11 HD22 ' B' ' 98' ' ' LEU . 45.3 t -92.63 121.01 42.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 123.572 0.749 . . . . 57.34 109.091 177.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.63 148.44 18.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 C-N-CA 124.686 1.194 . . . . 21.57 108.537 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.5 tp -130.75 119.98 23.13 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.71 -0.848 . . . . 62.33 108.71 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttm180 -87.7 134.26 33.69 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 108.708 -0.849 . . . . 95.32 108.708 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.92 114.8 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.931 -1.137 . . . . 14.84 107.931 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.9 m -118.97 115.32 24.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.853 0.461 . . . . 28.15 110.254 -172.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 114' ' ' ILE . 44.0 t -100.76 112.68 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 124.066 0.947 . . . . 18.14 109.995 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.626 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 96.6 m -92.95 135.47 34.12 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.016 -1.105 . . . . 24.35 108.016 170.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -147.39 138.27 23.58 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.889 -0.411 . . . . 26.44 109.889 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.538 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 65.8 m -140.9 141.43 34.57 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.749 0.656 . . . . 56.64 111.07 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 79.8 mt -118.73 112.48 19.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.632 1.173 . . . . 62.67 108.738 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.34 -128.83 8.95 Favored Glycine 0 C--N 1.344 0.978 0 N-CA-C 111.709 -0.557 . . . . 81.37 111.709 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -106.35 26.69 9.54 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.644 0.778 . . . . 99.99 110.149 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -149.32 151.27 33.87 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.804 -0.56 . . . . 99.99 110.405 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 91.3 m -65.89 132.59 49.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.253 0.621 . . . . 33.32 111.286 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.538 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -81.56 -63.28 1.43 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.609 -1.256 . . . . 25.99 107.609 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.84 156.07 35.54 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.757 -1.565 . . . . 18.76 109.6 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 91.9 mt -124.35 111.04 15.32 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.288 -1.745 . . . . 16.93 106.288 169.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 51.5 t -116.69 158.16 24.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.588 -0.893 . . . . 12.76 108.588 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -164.83 138.55 4.94 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.426 -0.583 . . . . 30.38 109.426 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' B' ' 113' ' ' CYS . 66.2 t -133.69 141.51 44.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.475 -0.935 . . . . 8.91 108.475 172.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -119.42 96.59 5.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.154 -1.054 . . . . 33.15 108.154 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -86.9 103.78 15.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.235 -1.024 . . . . 11.26 108.235 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 148.6 19.08 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-N 115.553 -0.749 . . . . 11.78 111.423 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.46 131.99 4.12 Favored Glycine 0 C--O 1.238 0.395 0 N-CA-C 111.759 -0.536 . . . . 23.01 111.759 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -83.71 128.0 39.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 107.398 -1.334 . . . . 39.34 107.398 171.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 22.6 m-85 -138.21 142.14 39.99 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.674 -0.861 . . . . 63.88 108.674 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 31.1 t -89.75 93.32 9.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 106.652 -1.61 . . . . 82.93 106.652 165.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -134.17 102.01 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.336 0.654 . . . . 98.2 111.072 -167.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.96 167.99 27.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.778 0.831 . . . . 99.99 110.125 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.82 -29.47 9.33 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 122.587 0.137 . . . . 99.99 112.956 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.683 HG23 ' SD ' ' B' ' 9' ' ' MET . 1.5 pt -56.6 146.28 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 124.851 1.261 . . . . 99.99 111.837 169.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -153.92 143.33 21.52 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.343 0.657 . . . . 99.99 110.291 -178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.38 -120.6 23.41 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.733 0.645 . . . . 99.99 113.65 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -65.94 -36.05 82.29 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.95 0.9 . . . . 99.99 111.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' B' ' 89' ' ' ILE . 26.8 tp60 -62.5 -33.35 74.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.234 -0.893 . . . . 99.99 109.945 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.587 ' HE1' ' HB2' ' B' ' 98' ' ' LEU . 6.1 tpt -75.57 -44.73 41.75 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.195 -0.912 . . . . 99.99 110.924 173.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.78 72.55 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.401 0.68 . . . . 99.99 112.491 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 21.1 t-80 -96.54 -9.27 29.9 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.497 0.719 . . . . 99.99 111.986 -176.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.544 ' SG ' HD12 ' B' ' 89' ' ' ILE . 26.5 p -78.99 -66.38 0.87 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.524 -0.735 . . . . 99.99 110.961 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.587 ' HB2' ' HE1' ' B' ' 94' ' ' MET . 46.8 mt -82.6 -20.55 36.2 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.053 0.541 . . . . 71.23 111.025 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.21 3.27 87.26 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-O 119.511 -0.605 . . . . 59.87 113.185 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -154.94 -64.37 0.13 Allowed 'General case' 0 C--N 1.367 1.327 0 N-CA-C 113.703 1.001 . . . . 71.19 113.703 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.453 ' HB2' ' HB ' ' E' ' 67' ' ' ILE . 0.0 OUTLIER -82.97 -30.34 28.32 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -160.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 70.2 m -72.33 -39.16 6.05 Favored Pre-proline 0 N--CA 1.489 1.501 0 CA-C-O 118.687 -0.673 . . . . 50.37 112.761 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -44.97 -22.77 0.76 Allowed 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 123.067 2.511 . . . . 36.29 115.825 167.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -52.49 -30.96 32.79 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 121.546 0.689 . . . . 87.59 111.563 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.01 -54.61 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.661 1.184 . . . . 37.19 111.572 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.53 -26.56 18.7 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.49 0.922 . . . . 13.07 113.49 -168.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.49 -49.52 91.87 Favored Pre-proline 0 N--CA 1.494 1.747 0 CA-C-O 117.718 -1.134 . . . . 99.99 113.104 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.53 -33.84 97.0 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 121.739 1.626 . . . . 10.37 112.915 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.61 -44.76 61.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.594 0.758 . . . . 12.29 110.864 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.39 96.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.846 0.458 . . . . 8.75 110.619 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -57.54 -54.76 43.15 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.478 1.511 . . . . 59.14 111.391 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.28 -35.45 79.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.728 0.642 . . . . 51.9 109.869 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 117' ' ' MET . 8.9 t -65.95 -37.81 86.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.833 0.453 . . . . 13.3 111.294 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.559 HG21 HG21 ' B' ' 64' ' ' VAL . 84.1 mt -62.73 -55.91 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.479 0.712 . . . . 9.86 109.536 174.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 18.5 m -64.12 -23.78 67.45 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.202 -0.908 . . . . 13.13 111.43 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -67.67 -47.84 68.34 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.355 0.662 . . . . 8.02 109.506 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 13.3 mmt -67.93 -32.74 73.4 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.599 0.359 . . . . 26.78 111.178 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.8 t -65.16 -45.26 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.824 0.85 . . . . 13.3 110.288 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -73.27 -28.47 62.14 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.643 -0.708 . . . . 29.79 111.518 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.437 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.6 mtt-85 -70.87 -33.9 71.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.799 0.84 . . . . 11.55 110.07 174.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 5.48 62.22 Favored Glycine 0 C--N 1.354 1.531 0 O-C-N 123.792 0.682 . . . . 16.97 113.167 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 17' ' ' TYR . 65.8 p 53.32 56.55 7.25 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.474 1.51 . . . . 23.15 111.917 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -106.0 165.67 12.63 Favored Pre-proline 0 N--CA 1.48 1.061 0 CA-C-N 114.468 -1.242 . . . . 23.84 109.829 172.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.32 150.24 75.96 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.5 2.133 . . . . 29.89 112.546 168.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 116.12 5.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.552 0.741 . . . . 99.99 110.305 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 36.4 tp -143.2 96.27 2.89 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -92.35 136.07 33.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.943 -1.132 . . . . 73.04 107.943 171.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 108.25 1.52 Allowed 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.134 -0.691 . . . . 90.81 109.134 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.54 141.83 33.15 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.772 1.229 . . . . 43.15 112.598 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.643 ' HG3' ' HB ' ' D' ' 16' ' ' ILE . 37.0 Cg_endo -61.8 90.92 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.121 2.547 . . . . 61.27 111.682 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.524 ' HA ' HG11 ' E' ' 306' ' ' VAL . 3.0 p -101.76 138.35 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.058 -0.974 . . . . 99.57 110.115 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.0 113.66 9.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.468 -0.787 . . . . 99.99 109.391 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -66.98 -30.13 70.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.56 1.144 . . . . 99.99 111.135 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.4 ' HB3' ' HB1' ' B' ' 100' ' ' ALA . 3.4 p-10 -60.73 -46.24 91.18 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 99.99 111.034 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.63 86.13 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 115.375 -0.829 . . . . 99.99 111.037 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' E' ' 8' ' ' LEU . 1.3 tm? -51.86 -52.12 51.79 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.44 1.096 . . . . 99.99 111.211 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.407 ' HA ' HD21 ' E' ' 10' ' ' LEU . 3.4 t80 -70.3 -29.49 66.24 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.331 -0.395 . . . . 99.99 110.742 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -73.18 -34.57 66.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.635 0.774 . . . . 99.99 110.82 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' B' ' 143' ' ' GLN . 12.0 m120 -75.68 -1.25 23.89 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.221 0.609 . . . . 99.99 111.936 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -62.46 -33.13 74.22 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.048 0.451 . . . . 99.99 109.869 167.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.413 HD21 ' O ' ' E' ' 315' ' ' ASN . 66.7 mt -86.03 10.48 14.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.159 0.983 . . . . 99.99 111.749 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 70.81 116.34 0.04 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.328 1.451 . . . . 99.99 110.48 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.419 ' HB3' ' ND2' ' B' ' 139' ' ' ASN . 27.1 pt20 -74.63 -14.14 60.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.489 0.716 . . . . 99.99 112.114 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -77.01 85.11 3.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.577 0.751 . . . . 99.99 110.039 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.51 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.338 1.055 . . . . 99.99 108.52 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.46 132.94 0.94 Allowed Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.574 -0.739 . . . . 99.99 114.247 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -171.44 -70.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.896 -1.15 . . . . 99.99 107.896 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -115.22 124.4 6.31 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 109.604 -1.399 . . . . 99.99 109.604 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 2.3 p -65.07 -69.49 0.29 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.546 0.738 . . . . 99.99 111.769 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -98.55 -0.67 42.78 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 119.296 -0.383 . . . . 99.99 110.571 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 66.83 -76.65 0.05 OUTLIER 'General case' 0 C--N 1.364 1.208 0 C-N-CA 124.236 1.014 . . . . 99.99 109.107 -166.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -178.04 -37.66 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.584 1.554 . . . . 99.99 108.348 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 81.98 80.21 0.03 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.391 1.876 . . . . 99.99 110.768 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 59.97 -155.93 0.35 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.548 1.155 . . . . 99.99 112.357 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 N-CA-C 107.8 -1.185 . . . . 99.99 107.8 169.684 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 110.469 -0.197 . . . . 99.99 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t 57.54 81.1 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.918 1.287 . . . . 99.99 109.99 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 72.01 134.94 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.252 1.421 . . . . 99.99 110.2 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -129.36 168.97 15.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.779 0.831 . . . . 99.99 110.024 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 t30 79.81 -46.01 0.32 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.492 1.517 . . . . 99.99 112.472 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 66.0 -174.95 0.18 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.843 1.257 . . . . 99.99 111.882 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 63.7 p 61.07 -68.22 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.006 1.722 . . . . 99.99 111.401 -172.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 67.22 -174.09 0.19 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.816 1.247 . . . . 99.99 111.945 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 4.6 mpp? 64.86 112.89 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.611 1.564 . . . . 99.99 111.712 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 83.9 m -88.47 99.69 12.48 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.583 -0.525 . . . . 99.99 109.583 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' HB ' ' C' ' 86' ' ' ILE . 11.3 t80 -114.24 135.29 54.22 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.802 -1.185 . . . . 99.99 107.802 165.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 6.5 tp-100 -154.56 144.0 21.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.096 0.958 . . . . 99.99 108.607 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.561 HG12 ' H ' ' E' ' 140' ' ' GLY . 3.2 pt -97.23 137.87 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.865 1.266 . . . . 56.3 108.731 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.423 ' HG2' ' HE1' ' E' ' 147' ' ' HIS . 34.7 mt-30 -117.26 -55.37 2.33 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 118.269 -0.872 . . . . 93.16 111.977 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.449 ' HA ' ' CG1' ' E' ' 144' ' ' VAL . 41.5 ptt180 171.29 168.31 0.08 Allowed 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 123.974 0.909 . . . . 99.99 113.248 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.435 HD12 HD22 ' A' ' 127' ' ' ASN . 5.8 mt -118.38 150.91 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.519 1.527 . . . . 11.74 109.331 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -175.39 171.39 2.87 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.118 0.967 . . . . 19.28 110.031 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.504 HG22 HE22 ' C' ' 80' ' ' GLN . 72.9 p -93.51 120.84 34.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.913 0.485 . . . . 6.91 110.304 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.9 mmmm -78.11 -49.22 14.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.76 0.791 . . . . 21.95 109.199 172.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 12.4 t70 -134.46 139.67 45.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.224 -1.353 . . . . 50.62 109.521 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 73.9 mt -135.8 139.24 46.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.538 -1.653 . . . . 5.12 106.538 175.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -156.69 150.89 25.18 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.762 0.791 . . . . 9.28 110.771 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -147.43 131.01 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.223 -1.399 . . . . 8.82 107.223 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 47.8 mt-10 -126.76 127.73 45.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.291 0.636 . . . . 30.58 109.49 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.86 80.32 65.73 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 107.985 -1.116 . . . . 12.04 107.985 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.28 -6.32 17.06 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 122.706 2.271 . . . . 30.41 111.9 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -112.8 14.71 19.93 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.335 1.054 . . . . 61.38 109.474 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -50.91 -44.76 86.91 Favored Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 115.629 1.714 . . . . 26.66 115.629 -165.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.41 -41.67 0.2 Allowed 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 121.847 1.698 . . . . 35.22 112.713 172.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -67.02 -23.57 65.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.945 1.298 . . . . 48.75 112.797 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.466 HG23 ' HD2' ' C' ' 34' ' ' LYS . 9.0 p -67.32 -21.88 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.332 0.653 . . . . 55.24 112.102 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.57 -21.39 62.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.871 0.468 . . . . 99.99 111.569 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.8 10.3 28.76 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.629 0.772 . . . . 97.11 110.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.772 ' HZ2' ' HB2' ' C' ' 34' ' ' LYS . 3.1 ttmp? -83.41 151.5 25.47 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.752 0.821 . . . . 88.6 111.155 -176.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.32 111.87 7.0 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.57 -1.27 . . . . 99.99 107.57 169.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.635 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 53.8 m95 -72.84 79.3 1.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.922 0.889 . . . . 99.99 110.446 -172.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.57 80.43 1.76 Allowed Pre-proline 0 CA--C 1.55 0.952 0 N-CA-C 108.226 -1.028 . . . . 99.99 108.226 -177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -92.19 152.68 3.15 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.953 2.435 . . . . 68.93 111.788 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.75 112.83 23.64 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' E' ' 294' ' ' LYS . 28.6 m -66.99 113.34 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-O 121.733 0.778 . . . . 87.15 109.71 176.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.644 ' HB3' ' HB ' ' C' ' 65' ' ' THR . 9.4 tmtt? -116.45 105.66 12.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 107.535 -1.283 . . . . 99.99 107.535 -175.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' E' ' 290' ' ' TRP . 4.7 tt -86.65 133.62 33.68 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.442 -0.948 . . . . 94.05 108.442 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -129.56 131.86 46.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.462 -1.31 . . . . 99.99 107.462 170.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.616 HD21 HD11 ' C' ' 60' ' ' LEU . 8.3 tt -134.78 116.01 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.176 -1.416 . . . . 71.87 107.176 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.8 m-20 -111.57 138.94 47.45 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.485 1.114 . . . . 92.17 108.623 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -113.32 138.9 49.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.205 1.002 . . . . 62.96 110.464 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.59 150.56 34.68 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.586 0.754 . . . . 35.73 110.286 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -152.45 141.65 21.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.758 0.823 . . . . 56.22 109.189 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.6 t -147.18 165.11 31.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.041 0.936 . . . . 43.42 108.943 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.448 HE22 ' HA ' ' E' ' 262' ' ' ALA . 40.6 tt0 -105.14 141.03 37.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.941 0.4 . . . . 99.99 110.139 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' C' ' 57' ' ' GLU . 52.0 mt -113.61 -27.74 7.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.569 1.148 . . . . 61.44 110.97 -176.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.76 -169.8 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.007 0.817 . . . . 94.06 111.053 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -54.86 105.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.98 1.312 . . . . 99.99 110.604 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.85 0.74 0.98 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.991 1.316 . . . . 99.99 113.312 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 76.2 t -92.08 120.22 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 N-CA-C 109.013 -0.736 . . . . 81.86 109.013 -174.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.535 ' HE2' ' HB2' ' C' ' 87' ' ' ALA . 48.8 m-85 -126.11 143.65 51.04 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.587 0.755 . . . . 99.99 109.712 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.637 ' HB2' HD11 ' C' ' 51' ' ' LEU . 46.0 tt0 -100.96 119.67 39.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.321 -0.854 . . . . 35.21 109.104 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.92 112.24 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.236 -1.394 . . . . 29.6 107.236 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.3 133.25 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.334 -0.987 . . . . 20.9 108.334 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.616 HD11 HD21 ' C' ' 44' ' ' LEU . 28.4 tp -127.87 107.2 9.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.244 -1.021 . . . . 69.19 108.244 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 28.2 ttp180 -83.16 115.24 21.83 Favored 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 109.417 -0.586 . . . . 99.99 109.417 176.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.39 119.92 52.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.323 -1.362 . . . . 14.53 107.323 169.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 38.6 m -125.76 118.63 25.98 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.28 -1.007 . . . . 20.42 108.28 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 60.5 t -111.15 113.46 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.058 -0.974 . . . . 17.7 108.884 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.644 ' HB ' ' HB3' ' C' ' 41' ' ' LYS . 3.8 m -99.9 148.11 24.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.135 -0.938 . . . . 29.53 109.286 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.77 107.43 5.62 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.786 -1.19 . . . . 32.22 107.786 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 32.0 p -148.97 145.2 27.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.949 0.499 . . . . 59.66 111.087 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 58.53 0.77 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.035 1.334 . . . . 97.29 108.492 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.91 -120.63 6.63 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.505 -1.225 . . . . 76.35 110.69 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.22 -20.5 25.44 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 109.201 -0.666 . . . . 99.99 109.201 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 9.9 tp10 -73.38 88.48 1.58 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.37 1.068 . . . . 77.02 109.131 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.2 m -74.14 133.65 42.8 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.035 0.534 . . . . 37.0 110.358 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.428 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -81.64 -57.26 3.53 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.38 0.672 . . . . 34.06 109.414 172.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -172.75 177.14 2.97 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.063 0.945 . . . . 39.96 110.586 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.9 tm? -142.95 146.06 33.6 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 107.239 -1.393 . . . . 16.54 107.239 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 44.3 t -149.59 122.86 8.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.063 -0.717 . . . . 10.97 109.063 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -133.43 125.05 28.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.497 0.719 . . . . 36.61 110.302 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' C' ' 113' ' ' CYS . 67.7 t -131.95 125.56 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.354 0.662 . . . . 9.25 109.827 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.7 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 72.3 mt-30 -99.93 97.71 8.56 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 108.391 -0.966 . . . . 25.23 108.391 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.504 HE22 HG22 ' C' ' 18' ' ' THR . 8.0 tp-100 -83.01 115.86 22.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.773 -0.648 . . . . 10.64 110.399 -176.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.51 151.71 22.75 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.69 -0.564 . . . . 10.6 111.69 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.59 116.76 0.77 Allowed Glycine 0 CA--C 1.507 -0.463 0 N-CA-C 110.572 -1.011 . . . . 19.17 110.572 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -89.29 121.58 39.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.359 -0.608 . . . . 30.38 109.359 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -143.04 121.47 12.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.393 -1.336 . . . . 49.62 107.393 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.8 m -78.67 99.62 6.68 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 110.255 -0.276 . . . . 92.15 110.255 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.616 HD12 ' SG ' ' C' ' 97' ' ' CYS . 4.9 tt -142.34 98.33 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-O 121.538 0.685 . . . . 99.99 111.491 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.535 ' HB2' ' HE2' ' C' ' 56' ' ' TYR . . . -126.08 16.79 7.87 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.252 0.621 . . . . 99.99 109.862 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.58 99.81 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.978 -1.01 . . . . 99.99 114.745 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.622 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 35.3 mm 60.38 78.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.285 1.034 . . . . 99.99 109.692 -173.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.563 ' H ' ' HB2' ' C' ' 94' ' ' MET . 19.7 mt-10 -94.62 0.74 55.38 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.99 -1.005 . . . . 99.99 110.579 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.9 -120.67 6.88 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 116.062 -0.517 . . . . 99.99 112.575 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 56.0 p -73.53 -16.76 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.536 0.734 . . . . 99.99 111.522 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.53 -37.52 56.55 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.302 -0.629 . . . . 99.99 109.302 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.0 ttt -69.71 -21.44 63.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.671 -0.695 . . . . 99.99 110.3 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.85 98.27 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.457 -0.338 . . . . 99.99 110.338 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.518 ' O ' ' HB3' ' C' ' 100' ' ' ALA . 62.6 m170 -69.91 -28.52 65.68 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.686 -0.688 . . . . 99.99 111.237 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.616 ' SG ' HD12 ' C' ' 86' ' ' ILE . 52.4 t -81.98 -61.31 1.95 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.543 0.737 . . . . 99.99 111.676 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' E' ' 280' ' ' LEU . 9.3 tt -72.84 -47.46 46.09 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.08 0.952 . . . . 99.99 110.859 -172.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.98 6.48 72.96 Favored Glycine 0 N--CA 1.477 1.402 0 O-C-N 123.142 0.277 . . . . 68.51 113.733 -169.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.843 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -141.04 -68.41 0.4 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.645 0.378 . . . . 56.52 110.306 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.9 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.012 0.925 . . . . 99.99 113.167 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 73.3 m -76.15 -59.3 1.12 Allowed Pre-proline 0 CA--C 1.573 1.835 0 CA-C-O 118.658 -0.687 . . . . 56.59 112.618 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.85 -22.29 27.29 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.297 1.998 . . . . 39.21 114.19 -173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -73.68 -35.13 65.15 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 120.941 0.4 . . . . 71.72 111.141 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.587 HG13 ' HA ' ' E' ' 142' ' ' LEU . 10.2 mm -70.36 -42.06 78.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.661 -0.7 . . . . 8.71 111.862 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.3 pp -81.37 -12.71 58.91 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 116.702 -0.226 . . . . 37.06 111.585 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.03 -48.97 95.66 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.002 -0.999 . . . . 16.74 113.295 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.7 -36.01 49.56 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.583 2.189 . . . . 9.85 113.82 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -70.05 -42.16 73.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.488 0.715 . . . . 5.88 111.133 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -62.87 -39.29 93.98 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.416 0.686 . . . . 7.64 110.64 174.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -63.2 -42.96 99.4 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.042 -1.435 . . . . 20.64 111.625 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.437 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.4 OUTLIER -69.43 -42.19 75.32 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.952 0.501 . . . . 38.86 109.932 -178.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' C' ' 18' ' ' THR . 12.0 m -56.94 -35.15 68.74 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.713 0.805 . . . . 13.9 112.862 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.459 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 97.5 mt -73.84 -47.76 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 122.972 0.509 . . . . 8.58 110.654 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 99.4 m -57.65 -43.98 85.3 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 123.903 0.881 . . . . 8.54 111.616 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 37.0 t -64.27 -45.0 89.98 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.991 -1.004 . . . . 6.56 109.809 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.472 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -62.12 -35.18 77.94 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.429 1.092 . . . . 5.22 112.686 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.9 t -63.13 -44.77 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.95 0.5 . . . . 28.53 109.891 173.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.6 t -72.7 -24.03 60.94 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.665 0.786 . . . . 17.6 111.978 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -74.34 -41.16 61.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.386 0.674 . . . . 7.72 109.813 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.21 0.88 62.03 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 116.024 -0.534 . . . . 10.8 112.56 171.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 32.1 p 65.5 22.03 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.004 2.122 . . . . 15.17 112.579 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.436 ' HE1' HG21 ' C' ' 31' ' ' VAL . 87.7 m-85 -82.09 149.55 62.88 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 123.752 0.821 . . . . 24.81 109.575 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.452 ' HG2' ' HD1' ' E' ' 297' ' ' TYR . 26.3 Cg_endo -61.93 142.23 92.28 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.542 2.161 . . . . 29.42 110.935 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.53 148.8 14.89 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.201 1.186 . . . . 72.03 114.201 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.44 ' HB2' HG23 ' E' ' 296' ' ' THR . 18.8 tp -136.89 94.25 2.95 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 113.484 -1.689 . . . . 59.85 107.327 168.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.46 125.8 35.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.153 -0.93 . . . . 41.85 108.537 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.08 140.27 57.9 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.642 0.589 . . . . 38.57 109.778 170.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -69.14 133.01 89.81 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.393 -0.595 . . . . 24.62 109.393 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 11.1 Cg_exo -70.98 108.87 2.41 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.698 2.265 . . . . 24.48 111.343 -176.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' E' ' 288' ' ' VAL . 47.1 t -118.47 112.28 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.128 -0.693 . . . . 68.05 109.128 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.17 82.51 3.77 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -84.08 -11.95 55.86 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.569 0.951 . . . . 99.99 113.569 -168.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.843 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 7.1 p-10 -65.81 -44.56 85.32 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.075 0.464 . . . . 99.99 111.429 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.11 61.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.87 -1.059 . . . . 99.99 110.951 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.847 ' HA ' ' HA3' ' E' ' 453' ' ' GLY . 8.2 tt -60.78 -45.07 95.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.101 0.961 . . . . 99.99 110.302 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -80.97 -25.39 37.37 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.326 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.09 -44.04 73.29 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.298 0.639 . . . . 99.99 109.956 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.2 -36.21 77.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.672 1.589 . . . . 99.99 110.905 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -70.67 -158.31 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 109.229 -0.656 . . . . 99.99 109.229 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 51.2 tp 61.27 -63.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.08 0.952 . . . . 99.99 111.003 -165.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -53.52 -68.31 0.19 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.058 1.343 . . . . 99.99 110.489 168.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 73.7 -37.56 0.38 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.188 1.395 . . . . 99.99 113.072 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -72.09 -179.18 2.69 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.067 0.947 . . . . 99.99 111.162 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 71.86 178.39 0.25 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.69 1.196 . . . . 99.99 110.8 -170.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.09 -53.88 0.65 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.614 -0.994 . . . . 99.99 110.614 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.33 96.54 7.34 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.0 69.95 0.19 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 109.96 -1.256 . . . . 99.99 109.96 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 27.4 m -63.13 93.06 0.06 Allowed 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.896 0.878 . . . . 99.99 111.195 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 93' ' ' GLN . 32.5 mt-10 58.26 -87.0 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.172 1.389 . . . . 99.99 112.365 171.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 39.64 -160.87 0.0 OUTLIER 'General case' 0 C--N 1.372 1.56 0 C-N-CA 126.652 1.981 . . . . 99.99 113.33 -173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 64.9 -77.8 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.291 1.436 . . . . 99.99 110.966 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -63.24 -58.72 6.25 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.8 t70 52.44 -81.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.925 1.69 . . . . 99.99 112.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.201 1.0 . . . . 99.99 109.045 -179.471 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.944 -0.391 . . . . 99.99 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -72.54 -62.07 1.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.931 0.492 . . . . 99.99 110.646 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 67.27 -77.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.342 1.457 . . . . 99.99 110.858 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -114.54 -23.76 9.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 99.99 109.651 171.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t30 71.7 132.06 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.773 1.629 . . . . 99.99 109.816 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.47 82.8 0.09 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.787 0.803 . . . . 99.99 111.155 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p -169.57 74.89 0.09 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 104.49 -2.411 . . . . 99.99 104.49 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -82.42 59.0 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.321 0.648 . . . . 99.99 110.275 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 11.9 tpt -33.13 128.71 0.27 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.955 1.702 . . . . 99.99 112.683 169.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 78.4 m -122.04 118.68 29.34 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.475 -1.306 . . . . 99.99 107.475 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' D' ' 85' ' ' SER . 76.3 t80 -138.95 114.36 9.69 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.931 -0.766 . . . . 76.43 108.931 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.493 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 79.1 mt-30 -130.34 116.35 18.19 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.973 -0.751 . . . . 99.99 108.973 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.437 HD13 HG21 ' D' ' 105' ' ' ILE . 11.4 mt -77.54 102.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.013 -0.736 . . . . 41.34 109.013 178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -76.75 -36.79 56.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.373 0.669 . . . . 79.46 111.21 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -168.14 126.27 1.16 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.361 0.413 . . . . 99.99 110.688 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' B' ' 130' ' ' PRO . 70.3 mt -115.83 131.91 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.142 -1.059 . . . . 53.22 108.142 169.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.665 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 8.6 p90 -164.75 164.78 21.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.826 0.85 . . . . 19.87 110.255 -169.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 68.4 p -91.75 120.86 32.86 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.278 -0.638 . . . . 8.43 109.278 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' D' ' 59' ' ' VAL . 48.9 mtpt -82.22 -32.61 29.7 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.672 0.389 . . . . 36.9 110.192 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -155.69 147.42 23.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.357 -0.838 . . . . 36.68 109.575 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' C' ' 117' ' ' MET . 70.7 mt -139.15 144.65 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.027 1.331 . . . . 4.02 107.864 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t -147.41 138.83 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.83 0.852 . . . . 7.64 109.416 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.5 t80 -148.45 118.47 7.2 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 106.01 -1.848 . . . . 5.08 106.01 170.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -130.36 111.94 12.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.347 -0.982 . . . . 28.73 108.347 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -103.15 93.86 5.01 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 108.574 -0.899 . . . . 7.19 108.574 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . 0.603 ' HB3' ' HB2' ' E' ' 431' ' ' SER . 44.1 Cg_endo -66.35 -63.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.945 2.43 . . . . 13.41 112.543 -170.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -96.41 29.41 2.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.727 0.811 . . . . 11.97 110.089 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -45.57 -58.68 5.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 114.455 1.28 . . . . 12.01 114.455 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.94 -13.3 19.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 121.465 1.559 . . . . 20.55 113.371 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -85.62 -38.98 17.82 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.326 1.451 . . . . 22.26 110.381 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.52 -7.92 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.636 0.775 . . . . 34.6 111.755 -171.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.436 ' HB3' ' HZ2' ' E' ' 131' ' ' TRP . 14.7 m-85 -72.92 -10.7 60.09 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.406 0.891 . . . . 32.96 113.406 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.91 1.3 24.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.482 0.313 . . . . 99.99 110.879 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.98 104.04 12.29 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.998 1.319 . . . . 31.63 109.663 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.41 80.53 1.82 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.462 0.705 . . . . 99.99 110.246 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -155.56 174.27 15.51 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.051 -0.722 . . . . 49.29 109.051 169.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.35 120.5 80.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.11 143.35 51.44 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.768 2.312 . . . . 31.29 112.82 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.51 109.78 2.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 64' ' ' VAL . 97.1 t -101.31 124.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.304 0.641 . . . . 52.79 109.816 -173.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -116.9 108.6 16.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.474 HD11 HG13 ' D' ' 62' ' ' VAL . 44.9 tp -101.71 127.1 48.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.636 0.775 . . . . 74.77 109.555 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -124.29 139.79 53.57 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.477 -0.934 . . . . 99.99 108.477 170.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.82 130.82 46.05 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.552 0.741 . . . . 66.01 109.681 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.455 ' HA ' ' O ' ' E' ' 112' ' ' ASN . 12.1 t70 -133.46 138.66 46.28 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.123 -0.695 . . . . 79.72 109.123 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -123.2 145.04 48.96 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.691 0.796 . . . . 77.52 110.716 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.2 142.49 25.12 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.344 -1.354 . . . . 38.8 107.344 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 41.7 t -164.81 169.13 17.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.056 0.455 . . . . 48.36 111.073 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.7 p -163.11 143.09 9.0 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-N 114.928 -1.033 . . . . 52.73 109.367 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -78.63 119.44 21.89 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.837 -1.171 . . . . 99.71 107.837 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.0 OUTLIER -129.51 20.38 5.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.624 0.77 . . . . 82.32 110.129 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.64 155.93 9.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.024 -0.989 . . . . 96.95 109.73 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.28 122.79 29.96 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.423 -0.954 . . . . 99.99 108.423 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.523 ' HA ' HD11 ' E' ' 100' ' ' LEU . 0.9 OUTLIER 66.75 20.73 10.63 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.728 1.211 . . . . 99.99 111.357 176.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' D' ' 85' ' ' SER . 94.6 t -147.08 136.2 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.627 1.571 . . . . 82.8 107.8 176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 171.86 10.95 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.103 0.478 . . . . 99.99 110.066 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' D' ' 51' ' ' LEU . 10.7 tm-20 -128.87 134.53 48.33 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.86 -1.533 . . . . 55.89 106.86 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -124.57 136.71 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 122.994 0.518 . . . . 44.56 110.812 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.476 HG22 ' HD3' ' D' ' 19' ' ' LYS . 27.4 t -101.81 105.7 18.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.781 0 C-N-CA 124.626 1.17 . . . . 19.48 108.415 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 61.4 tp -87.19 98.8 11.52 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.967 -0.753 . . . . 52.2 108.967 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -88.81 100.53 13.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.398 -0.593 . . . . 99.99 109.398 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.474 HG13 HD11 ' D' ' 42' ' ' LEU . 59.4 t -90.72 129.82 40.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.424 -1.325 . . . . 9.25 107.424 167.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 11.3 m -130.28 121.44 26.11 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.748 0.785 . . . . 10.79 111.21 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.463 HG13 HG13 ' D' ' 40' ' ' VAL . 71.0 t -107.21 103.9 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 126.097 1.759 . . . . 9.72 109.321 -177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m -93.68 111.88 23.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.306 -0.998 . . . . 19.36 108.306 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.14 137.83 54.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.9 0.48 . . . . 11.33 110.558 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.573 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 61.4 p -136.85 151.31 48.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.29 0.636 . . . . 29.87 110.788 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.1 mt -123.14 112.57 17.88 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.872 -1.159 . . . . 24.97 107.872 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.42 -130.82 11.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 123.304 0.377 . . . . 27.84 112.395 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.63 2.38 54.8 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.547 0.573 . . . . 76.3 112.547 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.06 151.61 51.24 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 120.749 0.309 . . . . 81.89 110.481 -170.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 35.0 m -71.18 131.9 44.22 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.464 -0.789 . . . . 11.35 110.082 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.573 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -79.97 -59.34 2.76 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.63 -1.248 . . . . 10.67 107.63 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.22 166.33 31.63 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.16 -1.382 . . . . 7.73 110.327 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -130.8 109.22 10.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.918 -1.512 . . . . 11.05 106.918 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.93 143.81 46.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.26 0.624 . . . . 12.97 109.341 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -154.81 130.56 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.954 -0.758 . . . . 47.96 108.954 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.93 132.97 63.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.071 -0.714 . . . . 5.05 109.071 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -108.33 85.6 2.14 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.593 -1.262 . . . . 21.68 107.593 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.36 109.24 14.66 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 114.896 -1.047 . . . . 8.01 108.35 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.05 161.09 22.47 Favored Glycine 0 C--O 1.242 0.654 0 O-C-N 123.797 0.686 . . . . 11.29 112.784 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.82 132.17 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.753 -0.224 . . . . 22.6 112.598 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.9 mt -89.93 108.96 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 107.732 -1.21 . . . . 43.57 107.732 173.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.05 127.3 54.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.367 0.667 . . . . 45.01 110.085 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.526 ' HA ' HG22 ' D' ' 55' ' ' VAL . 33.0 m -86.88 133.85 33.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.636 0.774 . . . . 77.58 109.521 173.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.45 HD13 ' N ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -141.73 126.17 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.239 1.016 . . . . 88.57 108.662 -177.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -154.49 162.18 41.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.145 0.578 . . . . 99.99 110.75 -176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.13 12.46 80.86 Favored Glycine 0 N--CA 1.472 1.084 0 CA-C-N 115.968 -0.56 . . . . 99.99 113.21 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.46 168.48 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.554 1.141 . . . . 99.99 109.788 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' D' ' 91' ' ' GLY . 34.0 tt0 -152.43 167.21 29.5 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.38 0.672 . . . . 99.99 109.945 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 90' ' ' GLU . . . 77.89 -129.58 9.58 Favored Glycine 0 C--N 1.352 1.438 0 C-N-CA 123.572 0.606 . . . . 99.99 113.638 168.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 74.4 p -83.53 -34.76 25.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.076 0.551 . . . . 99.99 110.423 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.08 75.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.97 0.908 . . . . 99.99 111.14 -171.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.421 ' SD ' HG23 ' E' ' 97' ' ' ILE . 22.1 ptt? -62.31 -48.69 78.72 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.314 0.646 . . . . 99.99 111.217 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.35 -11.76 45.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.52 1.128 . . . . 88.9 111.568 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.17 -26.93 66.71 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.641 0.776 . . . . 99.99 110.973 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 59.1 m -56.84 -44.74 82.41 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.619 0.574 . . . . 95.17 110.525 172.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.32 -29.1 70.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.745 0.818 . . . . 99.99 111.646 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.11 13.96 61.57 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-O 119.555 -0.581 . . . . 66.02 113.359 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' D' ' 133' ' ' PHE . . . -157.76 -71.68 0.09 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.565 0.682 . . . . 54.11 112.21 -175.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -74.84 -60.75 2.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 40.76 112.022 -167.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' D' ' 11' ' ' PHE . 58.4 m -53.18 -46.53 97.76 Favored Pre-proline 0 CA--C 1.568 1.65 0 C-N-CA 124.707 1.203 . . . . 34.31 114.1 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.79 -26.39 32.52 Favored 'Trans proline' 0 C--N 1.391 2.796 0 C-N-CA 122.166 1.91 . . . . 28.69 112.83 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -70.02 -30.1 67.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.056 0.542 . . . . 61.29 110.136 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.437 HG21 HD13 ' D' ' 13' ' ' ILE . 48.4 mm -70.55 -39.23 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.453 0.701 . . . . 19.65 109.948 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 95.8 mt -75.28 -24.74 57.57 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.68 -0.691 . . . . 13.09 111.746 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' D' ' 108' ' ' PRO . 39.6 t80 -62.25 -41.29 73.91 Favored Pre-proline 0 CA--C 1.56 1.341 0 N-CA-C 114.403 1.26 . . . . 10.47 114.403 -168.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' D' ' 107' ' ' PHE . 11.6 Cg_endo -55.55 -33.76 87.61 Favored 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 122.327 2.018 . . . . 6.22 113.605 172.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -85.77 -27.85 24.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.423 0.689 . . . . 10.48 111.269 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.35 79.54 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.989 -0.745 . . . . 4.16 108.989 167.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 30.5 ttp180 -57.24 -51.35 69.7 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.044 1.337 . . . . 10.22 110.918 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.35 -45.39 93.39 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.102 0.876 . . . . 32.24 110.942 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.1 -44.62 97.08 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.673 0.608 . . . . 3.39 111.262 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.429 ' O ' HG23 ' D' ' 118' ' ' VAL . 91.2 mt -57.65 -57.61 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.906 0.882 . . . . 5.37 110.311 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 58.1 m -54.86 -39.0 68.19 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.518 1.127 . . . . 7.06 111.714 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.55 -46.81 78.09 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.002 -0.999 . . . . 6.71 110.299 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 69.8 mtm -70.33 -32.34 70.03 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.982 0.513 . . . . 5.08 112.095 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 114' ' ' ILE . 77.8 t -63.29 -44.59 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.958 0.903 . . . . 5.65 110.127 175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 92.7 p -72.85 -35.05 67.14 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.925 -0.58 . . . . 10.21 110.961 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -67.62 -32.87 73.88 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.845 0.858 . . . . 6.99 110.484 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.4 -0.3 89.73 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.41 -0.813 . . . . 7.43 112.857 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 27.6 m 72.07 46.14 0.36 Allowed 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.879 1.323 . . . . 18.26 111.172 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -122.16 153.17 61.27 Favored Pre-proline 0 N--CA 1.481 1.124 0 CA-C-N 114.6 -1.182 . . . . 10.7 110.19 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.93 141.9 85.39 Favored 'Trans proline' 0 C--N 1.389 2.701 0 C-N-CA 123.11 2.54 . . . . 20.06 113.447 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.525 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 35.0 tt0 -59.64 130.98 49.51 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.999 0.919 . . . . 16.85 111.458 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.6 113.28 23.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.994 0.918 . . . . 14.84 109.065 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.603 HD22 HD12 ' B' ' 16' ' ' ILE . 12.5 m120 -107.14 91.72 3.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.188 0.595 . . . . 76.73 109.587 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 75.2 mt -59.37 118.13 5.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.185 0.594 . . . . 20.32 110.78 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' E' ' 125' ' ' ALA . . . -64.23 139.1 97.62 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.981 -0.533 . . . . 28.37 110.692 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.14 116.99 3.65 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.71 2.273 . . . . 32.68 111.871 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 98.3 t -107.03 116.43 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.9 -0.778 . . . . 69.78 108.9 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -81.06 111.11 17.22 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 75.9 m-85 -78.17 -6.69 55.57 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.017 0.927 . . . . 99.99 112.255 -172.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.53 -58.63 4.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.847 1.659 . . . . 99.99 111.901 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.95 -25.07 61.73 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.992 0.917 . . . . 99.99 112.939 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 111' ' ' LEU . 2.6 tt -70.79 -50.24 37.87 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.16 0.505 . . . . 99.99 109.962 -174.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -77.63 -34.03 53.39 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.217 -0.901 . . . . 99.99 110.236 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 38.2 ttm -55.28 -50.6 69.11 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.43 1.092 . . . . 99.99 111.414 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -53.81 -35.32 61.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.789 1.236 . . . . 99.99 112.636 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -89.11 -40.17 13.11 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.75 -0.659 . . . . 99.99 111.22 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.91 -32.93 74.31 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.899 0.88 . . . . 99.99 111.715 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -80.73 9.03 6.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.966 0.906 . . . . 99.99 111.922 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.08 48.59 2.39 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.549 -1.278 . . . . 99.99 107.549 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -170.72 94.12 0.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.864 -1.162 . . . . 99.99 107.864 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.43 113.79 7.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.156 0.582 . . . . 99.99 110.404 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.44 26.8 0.78 Allowed Glycine 0 N--CA 1.473 1.122 0 N-CA-C 111.247 -0.741 . . . . 99.99 111.247 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.59 138.13 33.51 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.429 0.692 . . . . 99.99 110.35 -173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 67.84 9.05 55.43 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.732 0.645 . . . . 99.99 114.394 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . 0.414 HG22 ' HB1' ' D' ' 155' ' ' ALA . 68.9 p -83.17 101.74 11.4 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -161.02 74.72 0.5 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.963 0.505 . . . . 99.99 110.808 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 56.04 18.84 3.35 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.354 1.061 . . . . 99.99 113.348 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -79.88 -84.96 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.56 0.344 . . . . 99.99 111.441 -167.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -88.41 -55.23 3.81 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.67 -0.863 . . . . 99.99 108.67 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -152.24 -37.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.8 -1.545 . . . . 99.99 107.962 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' D' ' 149' ' ' THR . . . . . . . . 0 C--O 1.258 1.55 0 CA-C-N 114.761 -1.109 . . . . 99.99 109.671 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.152 0 CA-C-O 121.656 0.741 . . . . 99.99 110.097 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -170.43 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.043 0.937 . . . . 99.99 109.817 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -157.82 172.94 17.58 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 107.758 -1.201 . . . . 99.99 107.758 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -63.2 95.9 0.09 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.517 -0.549 . . . . 99.99 109.517 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.666 HG22 ' HB3' ' E' ' 304' ' ' PRO . 12.8 t -75.49 -1.34 23.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.972 0.909 . . . . 99.99 111.839 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -59.53 131.1 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.604 0.716 . . . . 99.99 110.264 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.472 ' HB3' HD23 ' B' ' 42' ' ' LEU . . . -87.44 5.79 37.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.133 -0.94 . . . . 99.99 112.794 -170.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' B' ' 136' ' ' LEU . 3.4 tt -59.89 116.4 4.09 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 123.999 0.812 . . . . 99.99 109.718 -172.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.58 169.69 10.55 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.986 0.915 . . . . 99.99 111.117 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 137' ' ' PHE . 0.2 OUTLIER -75.27 146.97 40.63 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 114.824 -1.08 . . . . 99.99 110.329 -176.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.12 151.85 64.07 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.63 0.772 . . . . 99.99 109.881 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.21 -18.22 50.58 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.615 2.21 . . . . 99.99 113.298 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.57 163.89 36.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.835 0.454 . . . . 99.99 110.495 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.76 5.87 6.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.416 1.086 . . . . 99.99 111.91 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' B' ' 58' ' ' VAL . 3.7 t80 68.57 23.9 7.12 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.568 1.147 . . . . 99.99 110.024 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.473 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 24.5 m -53.52 -50.72 81.53 Favored Pre-proline 0 CA--C 1.573 1.858 0 N-CA-C 114.635 1.346 . . . . 99.99 114.635 -163.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' E' ' 21' ' ' ALA . 15.3 Cg_exo -71.17 102.52 1.26 Allowed 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 121.641 1.561 . . . . 99.99 112.029 172.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.516 HG21 HD11 ' B' ' 89' ' ' ILE . 2.4 t -78.2 79.01 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 107.945 -1.131 . . . . 99.99 107.945 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 2.2 p -169.13 -44.68 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.649 1.579 . . . . 99.99 107.229 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' E' ' 22' ' ' ARG . 19.5 ptmt -150.2 -44.8 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.951 -1.477 . . . . 99.99 110.151 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.563 ' HA ' ' HD2' ' E' ' 17' ' ' PRO . . . 71.42 -56.29 0.64 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.514 1.526 . . . . 99.99 112.086 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' E' ' 20' ' ' LYS . 15.4 ptm180 -55.21 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.267 1.027 . . . . 99.99 110.551 166.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -126.59 126.15 24.51 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.219 0.608 . . . . 99.99 111.327 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.488 ' HD3' ' HG3' ' E' ' 330' ' ' GLU . 9.8 Cg_exo -73.58 137.17 24.76 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 122.619 2.213 . . . . 99.99 109.043 160.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.24 114.94 9.82 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.828 0.346 . . . . 99.99 111.371 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 26.1 ttt -148.04 106.05 3.64 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.6 38.2 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 123.654 2.903 . . . . 99.99 112.842 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 6.4 p -62.05 -45.0 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.216 1.007 . . . . 99.99 110.835 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.46 128.23 0.54 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.139 -1.43 . . . . 99.99 107.139 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.26 -40.43 86.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.446 0.699 . . . . 99.99 112.2 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 54.0 t30 75.58 -35.1 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 125.887 1.675 . . . . 99.99 112.863 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -11.7 54.99 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.564 1.146 . . . . 99.99 112.32 -177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.79 55.39 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 124.072 0.949 . . . . 99.99 111.873 172.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.69 -72.43 0.09 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.281 1.432 . . . . 99.99 111.518 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -123.08 -74.15 0.63 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.321 0.648 . . . . 99.99 109.318 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.53 124.52 0.1 OUTLIER Glycine 0 C--N 1.353 1.501 0 CA-C-N 116.116 -0.493 . . . . 99.99 112.315 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -76.15 86.3 3.0 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.127 -0.694 . . . . 99.99 109.127 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.561 HG23 ' H ' ' E' ' 39' ' ' THR 0.272 6.4 tp 39.85 -89.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.733 0 C-N-CA 126.302 1.841 . . . . 99.99 113.194 -176.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . 0.561 ' H ' HG23 ' E' ' 38' ' ' ILE . 36.1 m 71.87 -58.4 0.59 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.837 1.655 . . . . 99.99 113.353 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.51 82.22 0.22 Allowed Pre-proline 0 C--N 1.355 0.832 0 C-N-CA 124.778 1.231 . . . . 99.99 109.535 -169.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.12 89.12 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.487 0 C-N-CA 123.368 2.712 . . . . 99.99 112.872 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.23 7.64 66.77 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.522 -0.763 . . . . 99.99 112.579 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.46 -116.13 2.25 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.179 -0.768 . . . . 99.99 111.179 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 62.71 -81.17 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.321 1.448 . . . . 99.99 111.704 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 60.36 -85.74 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.216 1.406 . . . . 99.99 112.205 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 40.46 0.83 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.877 0.871 . . . . 99.99 112.256 -172.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 37.14 74.44 0.08 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.699 1.599 . . . . 99.99 111.93 -168.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 38.7 m -71.96 85.44 0.98 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.88 -1.055 . . . . 99.99 110.214 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.69 69.35 3.37 Favored Glycine 0 C--N 1.343 0.941 0 N-CA-C 109.969 -1.252 . . . . 99.99 109.969 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.84 103.77 0.48 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.927 0.891 . . . . 99.99 110.999 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -72.67 -15.89 61.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.145 0.978 . . . . 99.99 112.4 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -19.73 62.24 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.691 0.281 . . . . 99.99 110.409 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -9.78 47.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.137 0.975 . . . . 99.99 111.933 168.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' H ' ' E' ' 61' ' ' ASP . . . 79.01 23.06 0.58 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.622 1.569 . . . . 99.99 111.507 175.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 tt 61.2 -79.41 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.516 1.526 . . . . 99.99 109.686 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -105.11 42.44 1.22 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.713 0.805 . . . . 99.99 109.364 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 46.26 -72.2 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 127.104 2.162 . . . . 99.99 116.328 170.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 13.7 p -61.17 83.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.032 1.333 . . . . 99.99 113.665 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 tp 57.92 12.38 1.73 Allowed 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 125.986 1.714 . . . . 99.99 113.266 173.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' E' ' 63' ' ' PRO . 31.0 m -71.61 -42.55 67.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.971 0.508 . . . . 99.99 110.756 -174.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . 0.534 ' H ' ' HB1' ' E' ' 54' ' ' ALA . 27.0 t70 63.21 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.817 1.247 . . . . 99.99 111.343 173.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.526 ' HE2' ' HB3' ' E' ' 64' ' ' ALA . 14.7 tmtt? -138.65 84.61 18.23 Favored Pre-proline 0 CA--C 1.551 0.996 0 N-CA-C 106.571 -1.64 . . . . 99.99 106.571 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' E' ' 60' ' ' SER . 35.9 Cg_endo -92.29 22.05 0.67 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.24 2.626 . . . . 99.99 112.994 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.526 ' HB3' ' HE2' ' E' ' 62' ' ' LYS . . . -80.28 77.43 7.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.288 0.635 . . . . 99.99 110.01 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -106.68 -172.4 2.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.106 -0.952 . . . . 99.99 110.481 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -73.87 -157.38 0.05 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.267 1.027 . . . . 99.99 110.809 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' B' ' 101' ' ' TYR . 19.4 tt -74.95 78.77 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-O 122.689 1.233 . . . . 99.99 111.081 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 tp -97.46 88.93 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.234 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 79.2 mt -103.83 89.73 3.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.332 -0.849 . . . . 99.99 110.764 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 78.0 mt 74.73 -31.22 0.21 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.482 1.513 . . . . 99.99 114.094 169.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.68 90.74 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.029 0.932 . . . . 99.99 110.153 -169.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.55 -150.03 39.39 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.633 -0.712 . . . . 99.99 111.823 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -153.43 -47.11 0.09 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.046 0.538 . . . . 99.99 109.764 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.15 -164.79 25.46 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-N 116.528 -0.306 . . . . 99.99 113.38 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -142.92 128.62 19.25 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.265 1.026 . . . . 99.99 108.641 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.51 141.56 15.67 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.417 0.448 . . . . 99.99 111.989 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . 0.533 ' HB3' HG12 ' E' ' 80' ' ' ILE . 10.2 m-20 -73.73 79.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.747 0.819 . . . . 99.99 111.033 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' E' ' 221' ' ' ARG . 65.1 m -79.57 -40.58 29.12 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.184 0.994 . . . . 99.99 110.817 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.17 -46.83 8.51 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.802 -1.09 . . . . 99.99 110.606 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.555 HG22 HG22 ' E' ' 81' ' ' THR . 56.4 mt 62.01 -89.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 124.561 1.144 . . . . 99.99 110.276 -175.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.555 HG22 HG22 ' E' ' 80' ' ' ILE . 11.8 t 168.65 163.51 0.04 OUTLIER 'General case' 0 C--O 1.245 0.859 0 C-N-CA 126.607 1.963 . . . . 99.99 107.965 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.85 73.73 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.11 -73.0 0.08 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.672 1.589 . . . . 99.99 112.998 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 52.9 mmt-85 72.93 161.85 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.387 1.475 . . . . 99.99 112.214 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -110.76 -173.18 2.18 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.21 -0.905 . . . . 99.99 110.46 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -132.96 141.7 48.47 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.355 -0.98 . . . . 99.99 108.355 171.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.57 121.3 3.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.155 0.582 . . . . 99.99 109.693 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.08 164.13 16.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.584 0.753 . . . . 99.99 110.633 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.45 -162.04 26.62 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 115.213 -0.903 . . . . 99.99 113.34 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.88 163.49 27.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.702 0.801 . . . . 99.99 111.025 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.41 72.48 0.07 OUTLIER Glycine 0 C--N 1.338 0.659 0 N-CA-C 110.839 -0.904 . . . . 99.99 110.839 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.45 -104.99 1.08 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 111.356 -0.698 . . . . 99.99 111.356 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . 0.408 ' CD1' HG21 ' D' ' 55' ' ' VAL . 6.5 t80 -102.96 -64.46 1.07 Allowed 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 107.33 -1.359 . . . . 99.99 107.33 173.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -141.45 170.47 15.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 124.128 0.971 . . . . 99.99 110.085 170.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -150.12 134.76 17.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.032 0.933 . . . . 99.99 110.4 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.01 -40.92 0.46 Allowed Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.244 -0.434 . . . . 99.99 112.94 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.421 HG23 ' SD ' ' D' ' 94' ' ' MET . 32.0 mt -77.44 -99.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 C-N-CA 123.251 0.62 . . . . 99.99 110.448 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 t70 164.4 -78.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.227 1.011 . . . . 99.99 109.354 -158.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.65 141.17 11.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.872 1.269 . . . . 99.99 108.363 -175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' D' ' 54' ' ' ASP . 2.9 mp -125.95 51.61 6.02 Favored Pre-proline 0 N--CA 1.491 1.61 0 C-N-CA 123.407 0.683 . . . . 99.99 111.877 -170.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' E' ' 201' ' ' PRO . 6.1 Cg_exo -77.28 -6.43 16.45 Favored 'Trans proline' 0 C--N 1.386 2.534 0 C-N-CA 121.892 1.728 . . . . 99.99 111.571 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt 77.45 139.92 0.07 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.525 1.53 . . . . 99.99 110.921 168.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 9.4 t -64.94 104.64 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.83 -0.804 . . . . 99.99 108.83 173.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.27 134.92 3.32 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.482 -0.647 . . . . 99.99 111.482 -173.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.86 -28.36 68.28 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.011 0.924 . . . . 99.99 111.369 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -131.52 11.86 4.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.614 1.166 . . . . 99.99 110.975 173.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.1 m 62.8 33.93 14.91 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 124.686 1.194 . . . . 99.99 111.869 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -72.45 97.16 2.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.445 0.64 . . . . 99.99 110.368 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -141.95 -58.99 0.47 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.402 0.681 . . . . 99.99 110.374 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.12 -60.48 0.14 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.675 -0.861 . . . . 99.99 108.675 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' D' ' 136' ' ' LEU . 2.5 tt -82.03 94.82 7.25 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.87 -1.53 . . . . 99.99 106.87 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' ' 45' ' ' ASP . 8.9 t30 -162.49 -49.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.222 -0.899 . . . . 99.99 108.726 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 pttt 173.64 156.19 0.12 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 126.006 1.722 . . . . 99.99 108.901 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.05 59.81 4.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.016 0.926 . . . . 99.99 109.506 -168.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -64.15 90.12 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 121.375 0.607 . . . . 99.99 110.588 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.45 3.46 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 114.934 -1.03 . . . . 99.99 112.562 -174.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.53 73.25 0.64 Allowed Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 125.019 1.328 . . . . 99.99 111.232 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -92.61 89.69 0.19 Allowed 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 123.201 2.601 . . . . 99.99 109.144 169.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.92 78.64 0.89 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.617 0.767 . . . . 99.99 111.641 -166.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 50.4 p90 169.32 -34.71 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 126.889 2.075 . . . . 99.99 108.453 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.06 99.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 108.833 -0.802 . . . . 99.99 108.833 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 27.1 p -138.19 -150.97 0.36 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.498 1.119 . . . . 99.99 109.483 -173.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.78 -7.62 8.34 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.661 1.584 . . . . 99.99 113.39 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . 0.445 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 26.4 m -61.89 89.7 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.809 0.844 . . . . 99.99 111.353 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' D' ' 129' ' ' ALA . . . -165.92 176.7 7.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.375 1.07 . . . . 99.99 110.309 -177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.33 153.06 31.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.472 0.709 . . . . 96.83 110.195 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.0 m -154.7 145.41 22.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.523 0.729 . . . . 99.99 109.677 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -104.13 127.01 51.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.325 0.65 . . . . 74.48 110.776 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.3 t -79.72 116.31 19.83 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.163 0.585 . . . . 99.99 110.555 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -166.95 102.47 0.55 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.155 0.982 . . . . 99.99 108.754 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.436 ' HZ2' ' HB3' ' D' ' 32' ' ' PHE . 38.4 t90 -84.9 -91.93 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 109.915 -0.402 . . . . 99.99 109.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 33.6 p -179.25 -177.53 0.46 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.245 0.618 . . . . 99.99 111.712 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.479 HG21 HD11 ' E' ' 470' ' ' LEU . 15.1 t -160.59 -172.39 3.51 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.237 1.015 . . . . 99.99 109.328 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.83 26.74 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.262 -0.735 . . . . 89.58 111.262 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 13.3 m -109.53 176.26 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.27 0.628 . . . . 99.99 109.634 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -120.32 -164.65 1.11 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.382 0.673 . . . . 99.99 109.575 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.592 HG21 ' HG3' ' E' ' 464' ' ' MET . 34.5 m 79.93 127.24 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.532 1.533 . . . . 99.99 111.956 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 22.5 t80 65.49 86.04 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.747 1.619 . . . . 99.99 110.187 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.3 111.64 6.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.05 -0.977 . . . . 99.99 110.953 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.561 ' H ' HG12 ' C' ' 13' ' ' ILE . . . 87.95 149.2 17.02 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 115.55 -0.75 . . . . 99.99 112.097 -174.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 130' ' ' PRO . . . 79.36 118.62 0.06 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.499 1.52 . . . . 99.99 113.489 169.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.587 ' HA ' HG13 ' C' ' 105' ' ' ILE . 10.9 mp 63.74 23.2 13.39 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.143 1.905 . . . . 99.99 116.143 163.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . 0.65 ' HA3' ' HD3' ' A' ' 130' ' ' PRO . . . -165.67 -143.76 3.84 Favored Glycine 0 N--CA 1.481 1.672 0 CA-C-N 119.574 1.079 . . . . 99.99 112.999 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' C' ' 15' ' ' ARG . 5.7 m -139.43 161.82 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.089 0.956 . . . . 99.99 110.34 175.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' E' ' 135' ' ' VAL . 25.4 t70 -147.68 119.48 8.1 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.157 0.583 . . . . 99.99 110.211 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 13.8 tt -87.21 102.3 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-O 121.782 0.801 . . . . 99.99 110.289 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.423 ' HE1' ' HG2' ' C' ' 14' ' ' GLN . 48.2 p-80 -136.01 136.95 40.72 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.196 -1.039 . . . . 99.99 108.196 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.22 113.13 24.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.976 0.511 . . . . 99.99 111.481 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -134.32 106.55 7.16 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 166.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.81 162.5 23.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.49 0.716 . . . . 99.99 110.843 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . 0.426 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 81.8 m-70 -126.78 -54.3 0.03 OUTLIER Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 118.72 -0.657 . . . . 99.99 111.695 -175.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 43.8 Cg_endo -91.02 -176.5 0.94 Allowed 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 121.865 1.71 . . . . 99.99 112.982 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 60.5 m -68.88 128.88 38.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.369 -0.832 . . . . 99.99 109.353 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.9 tt -54.76 -38.53 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.89 0.876 . . . . 99.99 112.404 -172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.421 HD12 ' N ' ' E' ' 156' ' ' GLU . 3.6 pp -86.02 -44.88 11.95 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.174 -0.467 . . . . 99.99 110.353 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . 0.421 ' N ' HD12 ' E' ' 155' ' ' LEU . 28.8 tt0 47.38 -84.31 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.336 1.455 . . . . 99.99 112.301 -171.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -102.52 136.55 42.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.094 1.357 . . . . 99.99 110.132 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -123.86 -89.54 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.291 0.636 . . . . 99.99 109.339 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -81.23 -37.19 29.0 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 109.687 -0.486 . . . . 99.99 109.687 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.8 26.3 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.158 1.383 . . . . 99.99 112.24 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 74.6 -60.26 0.53 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.614 1.566 . . . . 99.99 111.945 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 122.98 -111.9 1.82 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 109.97 -1.252 . . . . 99.99 109.97 -176.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 tp 69.06 -69.31 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.28 1.432 . . . . 99.99 112.355 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' E' ' 421' ' ' VAL . . . 65.59 -167.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.764 1.226 . . . . 99.99 110.491 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . 0.441 ' H ' HG22 ' E' ' 421' ' ' VAL . 44.9 p -90.69 -33.4 15.8 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.266 -0.642 . . . . 99.99 109.266 168.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 73.54 -80.99 0.75 Allowed Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.056 -1.218 . . . . 99.99 110.056 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -114.64 -176.44 2.9 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.201 -1.407 . . . . 99.99 107.201 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 m 45.78 61.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 125.086 1.354 . . . . 99.99 112.717 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 5.1 p -59.96 110.92 1.3 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 114.596 -1.184 . . . . 99.99 110.538 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 14.8 t -79.09 30.38 0.21 Allowed 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 113.66 0.985 . . . . 99.99 113.66 -165.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -67.31 -48.64 67.01 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.422 0.689 . . . . 99.99 109.853 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 21.4 mm-40 -104.67 153.89 20.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.567 0.747 . . . . 99.99 110.647 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.01 -27.64 11.53 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.738 0.815 . . . . 99.99 110.23 173.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -117.91 92.9 3.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.326 1.051 . . . . 99.99 108.3 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 240' ' ' GLY . 37.3 t70 -93.34 163.34 13.64 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.733 -0.667 . . . . 99.99 109.72 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . 0.423 ' HA ' ' CZ2' ' E' ' 242' ' ' TRP . . . 73.1 -174.28 0.15 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.132 1.373 . . . . 99.99 111.518 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' E' ' 178' ' ' PRO . 9.0 m 65.82 47.86 0.57 Allowed Pre-proline 0 CA--C 1.589 2.447 0 C-N-CA 124.601 1.16 . . . . 99.99 111.821 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' E' ' 177' ' ' THR . 12.8 Cg_endo -108.04 169.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.073 0 C-N-CA 123.521 2.814 . . . . 99.99 114.973 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -176.84 -79.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.308 1.043 . . . . 99.99 109.898 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 174.81 -33.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.27 1.428 . . . . 99.99 109.07 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 92.8 mt -90.99 172.01 8.87 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.969 0.907 . . . . 99.99 109.137 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.14 102.15 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-O 120.861 0.362 . . . . 99.99 110.321 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . 0.549 ' HB3' ' HD2' ' E' ' 189' ' ' LYS . . . 48.5 39.63 13.39 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.57 1.548 . . . . 99.99 113.244 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' E' ' 187' ' ' SER . 18.0 t-160 65.16 17.51 11.07 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.017 0.927 . . . . 99.99 112.614 171.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 t 57.65 -77.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.9 1.68 . . . . 99.99 113.675 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 14.0 t -80.25 -10.0 59.74 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.47 1.108 . . . . 99.99 112.354 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' E' ' 184' ' ' HIS . 47.6 t -82.12 109.12 16.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.76 0.424 . . . . 99.99 110.987 -176.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 70.11 -62.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.687 1.595 . . . . 99.99 113.977 168.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' E' ' 183' ' ' ALA . 14.2 ptmm? -47.04 89.57 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.488 1.515 . . . . 99.99 113.424 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 32.4 t 76.76 -40.34 0.37 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.539 1.935 . . . . 99.99 112.572 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -67.07 -43.92 81.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 123.396 0.679 . . . . 99.99 110.255 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -61.24 121.54 26.65 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-O 118.753 -1.026 . . . . 99.99 112.183 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.18 -30.3 79.08 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.554 2.836 . . . . 99.99 113.245 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 18.9 m 63.58 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 99.99 111.227 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -86.96 -23.79 24.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.194 0.598 . . . . 99.99 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m 63.21 29.8 15.94 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.681 1.192 . . . . 99.99 110.158 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 22.9 t 66.54 109.31 0.04 OUTLIER 'General case' 0 C--N 1.359 0.995 0 C-N-CA 125.739 1.615 . . . . 99.99 110.841 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.7 -36.17 83.42 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.112 0.965 . . . . 99.99 111.739 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 68.56 -6.7 0.79 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.462 1.282 . . . . 99.99 114.462 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.96 84.72 0.2 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.538 1.135 . . . . 99.99 110.775 -171.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' E' ' 101' ' ' PRO . 4.4 Cg_exo -78.42 106.13 2.08 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.997 2.465 . . . . 99.99 112.242 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 163.86 153.82 7.51 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 110.685 -0.966 . . . . 99.99 110.685 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -87.94 -78.98 0.3 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.071 -1.085 . . . . 99.99 108.071 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 71.61 -53.28 0.69 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 126.12 1.768 . . . . 99.99 114.144 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 67.8 tp -60.15 93.21 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.126 1.37 . . . . 99.99 112.427 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.75 113.69 11.19 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.936 0.894 . . . . 99.99 109.218 168.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.27 -79.81 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.12 1.368 . . . . 99.99 111.497 175.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 110.75 94.99 2.29 Favored Glycine 0 C--N 1.344 1.003 0 N-CA-C 112.2 -0.36 . . . . 99.99 112.2 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.12 9.91 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 109.528 -1.429 . . . . 99.99 109.528 171.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.73 29.42 19.0 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.954 0.883 . . . . 99.99 110.5 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -72.38 93.5 0.61 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.269 -0.878 . . . . 99.99 111.667 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 37.5 t 72.67 114.73 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.388 1.475 . . . . 99.99 111.51 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.86 93.05 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 124.049 0.94 . . . . 99.99 110.831 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 59.4 p -130.0 -57.87 1.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.767 0.827 . . . . 99.99 110.298 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.57 -13.06 62.08 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.097 0.959 . . . . 99.99 111.215 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -51.83 -28.08 14.63 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.239 1.015 . . . . 99.99 111.881 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 56.0 tp 70.91 122.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 125.361 1.465 . . . . 99.99 109.94 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 93.0 mt 65.35 139.99 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.574 1.15 . . . . 99.99 111.336 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.36 66.24 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.962 0.905 . . . . 99.99 110.521 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -73.16 173.49 9.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.643 -0.708 . . . . 99.99 111.153 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' E' ' 78' ' ' SER . 4.8 ppt_? -52.71 -42.91 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.255 1.022 . . . . 99.99 111.775 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -172.1 -93.99 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.06 -48.81 0.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.51 1.524 . . . . 99.99 112.652 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.2 m -65.97 -158.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 C-N-CA 126.277 1.831 . . . . 99.99 112.906 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 25.2 m -33.72 105.78 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.686 1.994 . . . . 99.99 114.596 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 85.3 mt -85.53 -175.7 5.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 114.912 -1.04 . . . . 99.99 109.285 169.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -86.55 -158.66 32.01 Favored Glycine 0 C--N 1.347 1.193 0 C-N-CA 121.81 -0.234 . . . . 99.99 113.515 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -141.35 -68.86 0.03 OUTLIER Glycine 0 C--N 1.342 0.864 0 N-CA-C 111.266 -0.733 . . . . 99.99 111.266 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 78.65 -175.53 54.86 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.215 -0.492 . . . . 99.99 112.69 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.93 113.72 18.21 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.458 -0.942 . . . . 99.99 108.458 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -92.97 133.18 36.38 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.928 0.394 . . . . 99.99 110.565 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 19.1 p -135.14 -80.07 0.44 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.855 0.862 . . . . 99.99 108.788 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -149.81 -46.37 0.13 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.681 1.192 . . . . 99.99 108.291 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 72.83 1.26 3.95 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.459 1.504 . . . . 99.99 112.367 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -173.95 166.05 4.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.773 1.229 . . . . 99.99 108.123 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.8 m 65.67 67.25 0.49 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.616 1.166 . . . . 99.99 108.826 -171.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 68.24 -76.82 0.05 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.169 -1.378 . . . . 99.99 111.353 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 13.4 m 67.0 87.08 0.13 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.123 1.369 . . . . 99.99 109.516 -174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 67.04 96.95 0.06 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.24 1.416 . . . . 99.99 111.698 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' E' ' 175' ' ' ASP . . . 172.53 170.39 36.26 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.253 -0.739 . . . . 99.99 111.253 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -150.7 57.48 0.92 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 107.52 -1.289 . . . . 99.99 107.52 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . 0.423 ' CZ2' ' HA ' ' E' ' 176' ' ' ALA . 5.5 m-90 46.08 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.724 1.21 . . . . 99.99 112.172 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' E' ' 242' ' ' TRP . 0.2 OUTLIER -143.17 -59.11 0.42 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.387 1.075 . . . . 99.99 109.821 -178.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 82.71 -129.0 8.79 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.967 -1.253 . . . . 99.99 109.967 -164.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 65.33 15.36 9.97 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 162.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 12.0 m -58.87 -41.12 86.34 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.152 0.981 . . . . 99.99 113.384 -167.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.62 -36.2 16.42 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.022 0.529 . . . . 99.99 111.319 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.517 HH12 HG11 ' E' ' 421' ' ' VAL . 20.1 ptt180 -77.58 -16.8 58.39 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.415 0.286 . . . . 99.99 111.696 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.91 -57.32 4.7 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.24 0.616 . . . . 99.99 110.251 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.98 -16.52 64.09 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.62 0.768 . . . . 99.99 112.937 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -59.72 -11.47 5.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.186 1.394 . . . . 99.99 114.519 -175.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -45.27 -27.25 0.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.461 1.504 . . . . 99.99 114.667 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -73.41 -62.63 1.41 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.489 0.716 . . . . 99.99 112.016 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 56.26 -173.61 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.646 1.178 . . . . 99.99 111.757 -169.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -171.75 46.41 0.18 Allowed Glycine 0 C--N 1.346 1.093 0 O-C-N 121.973 -0.454 . . . . 99.99 112.595 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -123.26 -71.4 0.73 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.058 0.543 . . . . 99.99 109.987 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -117.47 92.02 3.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 82.1 mt -116.39 76.15 1.01 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.701 -0.851 . . . . 99.99 108.701 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.447 ' HA ' ' HB3' ' E' ' 263' ' ' ALA . 3.2 p -140.28 -58.88 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.959 -0.564 . . . . 99.99 111.378 -176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 34.2 p -71.88 81.5 0.9 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.522 0.729 . . . . 99.99 112.075 -171.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 30.4 t70 178.09 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.883 2.073 . . . . 99.99 106.682 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . 0.448 ' HA ' HE22 ' C' ' 50' ' ' GLN . . . -86.69 -46.0 10.46 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.805 0.842 . . . . 99.99 111.014 -177.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' E' ' 259' ' ' VAL . . . -72.2 -3.13 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.967 0.907 . . . . 99.99 112.436 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 28.0 m -54.4 -35.6 63.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.678 1.191 . . . . 99.99 112.004 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.21 -80.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.584 -0.735 . . . . 99.99 109.593 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . 0.401 ' H ' ' H ' ' E' ' 267' ' ' SER . 2.0 t-20 -175.05 10.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.234 0.613 . . . . 99.99 110.575 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . 0.401 ' H ' ' H ' ' E' ' 266' ' ' ASN . 51.1 p -80.45 156.12 26.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.353 0.661 . . . . 99.99 110.752 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . 0.542 HG23 ' HG3' ' E' ' 270' ' ' GLU . 35.2 m -98.49 -168.32 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.221 0.609 . . . . 99.99 109.983 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 18.3 m -60.74 -55.96 26.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.617 0.767 . . . . 99.99 111.315 -174.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.542 ' HG3' HG23 ' E' ' 268' ' ' VAL . 53.8 mt-10 60.66 17.44 7.52 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.321 1.23 . . . . 99.99 114.321 173.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -63.1 -36.67 84.38 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.743 0.817 . . . . 99.99 113.191 -172.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -115.73 7.93 14.79 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.311 0.644 . . . . 99.99 111.101 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -81.54 173.01 12.8 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 122.007 -0.433 . . . . 99.99 111.348 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -63.9 -38.99 93.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.952 0.901 . . . . 99.99 110.29 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -111.29 127.82 26.3 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.728 -0.841 . . . . 99.99 108.728 166.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.28 -27.42 13.55 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.511 2.141 . . . . 99.99 111.699 169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 6.4 tt 171.84 -55.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 105.008 -2.219 . . . . 99.99 105.008 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.1 pp -139.28 159.32 42.43 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 113.545 -1.661 . . . . 99.99 108.257 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -171.54 51.25 0.18 Allowed Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.589 -0.604 . . . . 99.99 111.589 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.598 ' HB3' HD22 ' C' ' 98' ' ' LEU . 69.0 tp -75.72 -40.29 55.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.024 0.529 . . . . 99.99 109.941 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.58 -12.09 30.14 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.7 0.8 . . . . 99.99 112.812 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -67.86 -16.73 64.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.561 0.744 . . . . 99.99 112.48 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -159.47 -43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.044 0.537 . . . . 99.99 110.653 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -66.43 86.23 0.11 Allowed Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.856 -0.611 . . . . 99.99 112.885 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -155.56 122.63 5.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.238 1.015 . . . . 99.99 109.031 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.463 ' N ' ' SD ' ' E' ' 286' ' ' MET . 0.3 OUTLIER -150.59 63.58 6.01 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.965 0.906 . . . . 99.99 109.37 -177.525 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -94.21 -89.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.229 2.62 . . . . 99.99 114.296 -169.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' C' ' 131' ' ' VAL . 48.1 t -128.3 133.74 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.338 0.655 . . . . 99.99 110.097 -168.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -116.54 177.77 4.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.566 1.146 . . . . 99.99 108.106 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.437 ' NE1' ' HB2' ' C' ' 42' ' ' LEU . 15.6 m95 -86.82 145.08 26.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.233 0.47 . . . . 99.99 110.603 167.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' C' ' 129' ' ' ALA . 6.2 mp -121.36 114.4 21.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.558 1.143 . . . . 99.99 108.684 -172.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 65.15 -128.94 34.38 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.68 -1.067 . . . . 99.99 113.318 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -85.6 178.44 4.4 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.354 2.702 . . . . 99.99 114.435 -172.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.844 ' HG3' HG22 ' C' ' 40' ' ' VAL . 11.6 mptt -88.33 81.06 7.34 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.23 -0.895 . . . . 99.99 110.137 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -76.9 76.42 3.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.858 0.463 . . . . 99.99 109.993 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.44 HG23 ' HB2' ' C' ' 126' ' ' LEU . 17.6 m -132.67 -76.07 0.5 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.507 0.723 . . . . 99.99 110.2 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.635 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 5.7 m-30 -86.26 92.31 8.74 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.456 0.702 . . . . 99.99 111.513 -170.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -101.7 9.73 40.73 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 115.046 -0.979 . . . . 99.99 109.745 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 96.2 -97.02 2.0 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.137 -0.785 . . . . 99.99 111.137 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.11 12.65 2.56 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.1 1.36 . . . . 99.99 114.094 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 25.6 mt -128.01 116.03 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.412 0.685 . . . . 99.99 109.315 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.77 -170.15 2.56 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -115.98 96.12 46.19 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 123.242 0.617 . . . . 99.99 110.097 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.666 ' HB3' HG22 ' E' ' 5' ' ' THR . 73.7 Cg_endo -88.34 54.12 2.2 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.206 2.604 . . . . 99.99 110.956 170.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -53.23 119.99 5.42 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.09 1.356 . . . . 99.99 113.329 -168.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' B' ' 131' ' ' VAL . 35.6 m -103.34 146.42 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.816 0.847 . . . . 99.99 111.641 -176.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 58.6 p -112.39 157.4 21.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.465 1.106 . . . . 99.99 109.547 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.008 0.923 . . . . 99.99 110.586 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 66.5 p -122.67 113.93 30.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.0 0.92 . . . . 99.99 110.627 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.48 48.02 1.58 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 123.397 2.731 . . . . 99.99 111.778 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.426 ' HA ' ' HD3' ' E' ' 312' ' ' PRO . 4.5 t-20 -45.54 114.63 2.41 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 125.114 1.365 . . . . 99.99 113.365 -171.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' E' ' 311' ' ' ASN . 4.9 Cg_exo -82.61 48.54 2.81 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.647 2.898 . . . . 99.99 112.211 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 41.23 133.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 128.338 2.655 . . . . 99.99 116.302 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -164.65 -66.2 0.04 OUTLIER 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.943 -1.132 . . . . 99.99 107.943 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . 0.413 ' O ' HD21 ' B' ' 141' ' ' LEU . 2.5 m-20 75.49 -37.05 0.32 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.024 1.73 . . . . 99.99 114.008 170.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 28.0 t70 63.01 154.43 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.806 1.242 . . . . 99.99 111.153 -173.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 33.4 t -117.86 104.49 10.99 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.206 -0.934 . . . . 99.99 109.459 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.25 107.02 51.51 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 107.567 -1.272 . . . . 99.99 107.567 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.88 85.2 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.422 2.082 . . . . 99.99 111.737 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 17.9 p -85.82 -73.48 0.45 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.882 0.873 . . . . 99.99 109.733 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' E' ' 324' ' ' MET . 1.5 tm? -80.05 -18.76 49.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.718 -0.845 . . . . 99.99 108.718 171.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 69.8 97.13 0.06 Allowed 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.188 1.395 . . . . 99.99 109.912 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 74.48 -29.18 0.19 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.69 1.596 . . . . 99.99 113.767 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.744 ' HA ' HD12 ' E' ' 321' ' ' LEU . 39.5 ttm 59.17 42.32 18.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.605 1.162 . . . . 99.99 110.594 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 3.7 t -62.92 -44.9 94.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.135 -1.393 . . . . 99.99 110.746 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.36 78.42 7.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.644 -0.872 . . . . 99.99 108.644 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -89.31 97.48 11.22 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.19 88.9 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.583 1.153 . . . . 99.99 112.75 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.65 -21.26 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.359 0.664 . . . . 99.99 112.251 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.488 ' HG3' ' HD3' ' E' ' 24' ' ' PRO . 0.6 OUTLIER -76.41 -60.14 2.47 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 177.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.07 -25.46 64.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 112.195 0.443 . . . . 99.99 112.195 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.18 -34.78 42.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.557 0.743 . . . . 99.99 110.823 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 42.4 t -81.9 -35.51 29.12 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.734 0.414 . . . . 99.99 110.847 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' E' ' 335' ' ' ASN . 1.5 tmtp? -155.66 150.4 26.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.975 -1.491 . . . . 99.99 106.975 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . 0.448 ' N ' ' HD3' ' E' ' 334' ' ' LYS . 57.9 m-80 92.92 82.7 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 126.517 1.927 . . . . 99.99 109.884 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 74.62 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.273 1.429 . . . . 99.99 112.955 168.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.99 -31.04 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.889 0.876 . . . . 99.99 111.356 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -143.23 146.36 17.04 Favored Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.564 -0.576 . . . . 99.99 111.879 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 18.8 t80 53.08 71.4 0.49 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.281 1.432 . . . . 99.99 111.412 171.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -93.73 122.14 35.89 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.504 -0.771 . . . . 99.99 110.015 -175.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 69.83 121.95 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.545 1.538 . . . . 99.99 109.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.97 179.45 7.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.066 0.547 . . . . 99.99 111.058 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.6 135.5 24.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 114.579 -1.192 . . . . 99.99 108.82 167.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -105.28 160.84 14.79 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.03 0.932 . . . . 99.99 109.44 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -72.11 0.61 Allowed Glycine 0 C--N 1.355 1.618 0 O-C-N 123.704 0.628 . . . . 99.99 113.249 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 63.5 -79.78 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.011 1.324 . . . . 99.99 112.494 174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 39.3 m -84.62 42.17 0.89 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.116 0.966 . . . . 99.99 112.018 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 37.6 pt -112.65 161.84 11.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 C-N-CA 124.662 1.185 . . . . 99.99 110.968 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -54.6 154.15 5.14 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.863 1.265 . . . . 99.99 111.889 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' E' ' 350' ' ' LYS . 0.6 OUTLIER 80.16 -40.31 0.19 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.165 1.786 . . . . 99.99 111.685 -176.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.74 -31.88 67.14 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 110.03 -0.359 . . . . 99.99 110.03 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.73 -78.2 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.77 1.228 . . . . 99.99 113.692 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -74.38 -24.4 59.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.526 0.731 . . . . 99.99 110.91 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.25 66.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.011 0.525 . . . . 99.99 110.55 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.63 -45.7 13.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.822 0.849 . . . . 99.99 109.472 170.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.511 ' HB2' ' HD3' ' E' ' 357' ' ' PRO 0.279 54.1 m-80 97.65 -68.07 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 C-N-CA 128.758 2.823 . . . . 99.99 112.324 -175.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' E' ' 356' ' ' ASN . 18.0 Cg_exo -69.15 -5.06 14.9 Favored 'Trans proline' 0 C--N 1.399 3.213 0 CA-C-N 122.575 1.955 . . . . 99.99 113.68 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 63.5 m 79.44 -48.02 0.38 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.446 1.498 . . . . 99.99 112.963 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 -72.85 2.56 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.213 -0.755 . . . . 99.99 111.213 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -76.27 88.08 3.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.03 0.932 . . . . 99.99 109.657 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.68 -56.61 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.562 0.745 . . . . 99.99 109.167 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 175.67 101.02 0.14 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.673 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . 0.54 ' HG3' HG23 ' E' ' 364' ' ' THR . 11.2 tp10 -81.04 137.89 36.02 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.707 0.803 . . . . 99.99 109.967 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . 0.54 HG23 ' HG3' ' E' ' 363' ' ' GLU . 50.0 p 61.02 169.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 126.597 1.959 . . . . 99.99 114.252 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.5 148.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.3 1.04 . . . . 99.99 109.306 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.02 92.81 6.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.244 0.545 . . . . 99.99 109.792 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 38.2 tp -80.44 -13.68 58.93 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.139 0.976 . . . . 99.99 110.447 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -39.55 63.11 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.657 1.183 . . . . 99.99 111.512 176.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.57 -46.22 84.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.285 1.034 . . . . 99.99 111.351 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.67 90.38 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.402 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.69 -48.27 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 123.802 0.689 . . . . 99.99 109.963 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.93 -32.51 74.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.81 1.244 . . . . 99.99 111.851 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -59.95 4.26 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.48 61.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.327 -1.306 . . . . 99.99 112.506 -172.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.78 -24.3 67.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.16 0.984 . . . . 99.99 111.755 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.11 -48.3 79.16 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.455 0.702 . . . . 99.99 110.24 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -75.3 -28.33 59.66 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.346 -0.843 . . . . 99.99 111.23 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.89 -16.5 64.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.584 0.754 . . . . 99.99 112.435 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . 0.423 ' HE2' ' HG3' ' E' ' 406' ' ' PRO . 9.9 mtmp? -70.63 -42.85 70.33 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.665 -0.494 . . . . 99.99 109.665 172.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 61.93 14.5 6.43 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.123 1.369 . . . . 99.99 110.886 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -88.19 133.1 34.11 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.796 1.238 . . . . 99.99 108.923 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -163.31 71.82 0.2 Allowed Glycine 0 C--O 1.241 0.548 0 N-CA-C 110.29 -1.124 . . . . 99.99 110.29 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -69.56 86.99 0.47 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.769 0.795 . . . . 99.99 110.099 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.8 p -112.64 11.75 19.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.664 1.186 . . . . 99.99 109.807 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.85 -59.47 2.91 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.346 0.658 . . . . 99.99 109.432 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . 0.402 HG12 HG23 ' E' ' 388' ' ' VAL . 46.8 t -93.78 113.26 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.245 -0.889 . . . . 99.99 108.855 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 46.9 mm -113.96 100.62 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . 0.402 HG23 HG12 ' E' ' 386' ' ' VAL . 54.8 t -112.04 113.01 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.115 -0.698 . . . . 99.99 109.115 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 7.4 t -87.71 114.41 24.3 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 167.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -123.19 92.0 3.6 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.594 0.757 . . . . 99.99 109.799 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.75 159.96 23.73 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 171.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 68.6 m80 79.07 -47.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.865 1.666 . . . . 99.99 110.629 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -66.6 84.59 0.11 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.891 0.476 . . . . 99.99 110.926 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -85.44 -41.02 15.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.454 0.701 . . . . 99.99 110.388 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -128.61 -15.49 4.46 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.604 1.162 . . . . 99.99 109.349 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 14.6 m -77.37 88.74 3.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.482 1.113 . . . . 99.99 110.788 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -75.35 168.79 19.32 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.762 -0.459 . . . . 99.99 109.762 174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.8 90.64 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 109.153 -0.684 . . . . 99.99 109.153 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 54.6 t 63.34 -76.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.818 1.647 . . . . 99.99 111.584 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -97.64 121.78 57.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.874 0.87 . . . . 99.99 110.011 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.31 126.24 8.31 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.726 2.284 . . . . 99.99 112.057 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -111.21 131.47 55.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 17.8 p -150.82 95.77 2.25 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.029 0.932 . . . . 99.99 110.499 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 mppt? -100.51 -79.02 0.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.52 -0.919 . . . . 99.99 108.52 165.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 64.29 174.38 0.06 OUTLIER Pre-proline 0 N--CA 1.488 1.458 0 C-N-CA 124.143 0.977 . . . . 99.99 112.329 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . 0.423 ' HG3' ' HE2' ' E' ' 379' ' ' LYS . 89.0 Cg_exo -50.52 109.34 0.29 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.098 1.866 . . . . 99.99 111.075 159.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -78.62 -119.45 0.25 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.484 0.49 . . . . 99.99 113.7 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.93 -15.77 43.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.332 0.653 . . . . 99.99 111.404 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . 0.566 HG22 ' H ' ' E' ' 410' ' ' GLN . 2.8 m 59.96 -146.93 0.47 Allowed 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 124.302 1.041 . . . . 99.99 110.094 177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . 0.566 ' H ' HG22 ' E' ' 409' ' ' THR . 38.7 mt-30 65.03 -88.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.847 1.259 . . . . 99.99 111.366 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -164.87 174.12 10.94 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.977 1.311 . . . . 99.99 108.846 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 9.9 mp 72.49 -61.17 0.51 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.117 1.367 . . . . 99.99 111.211 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . 0.262 6.1 p30 56.67 -74.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.07 2.148 . . . . 99.99 113.157 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.9 p -124.77 -32.25 3.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.619 0.767 . . . . 99.99 110.887 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -95.69 130.25 42.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.06 0.944 . . . . 99.99 110.177 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.42 -43.81 5.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.428 0.691 . . . . 99.99 110.825 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -161.57 111.81 0.49 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.71 -0.556 . . . . 99.99 111.71 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -88.61 -4.97 58.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.935 0.894 . . . . 99.99 112.317 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.78 -55.5 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.134 0.574 . . . . 99.99 110.161 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.3 tpp 52.78 46.89 25.85 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 124.442 1.088 . . . . 99.99 110.151 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' E' ' 164' ' ' ALA . 57.6 t 77.57 -38.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 125.677 1.591 . . . . 99.99 112.647 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 22.2 ttt 61.12 28.69 18.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.598 1.159 . . . . 99.99 110.731 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 19.4 m 63.57 18.89 11.4 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.87 1.268 . . . . 99.99 112.768 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -67.79 121.26 15.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.565 -0.531 . . . . 99.99 109.565 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -133.63 160.97 24.2 Favored Glycine 0 C--N 1.341 0.814 0 CA-C-O 119.524 -0.598 . . . . 99.99 112.255 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 76.51 -47.54 0.54 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.855 1.662 . . . . 99.99 111.53 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 23.0 m -49.91 -34.77 21.39 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 125.959 1.704 . . . . 99.99 113.638 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.61 -12.97 9.68 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.886 0.874 . . . . 99.99 111.465 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -90.08 -21.71 22.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.721 1.208 . . . . 99.99 112.316 -168.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . 0.451 ' HA ' ' HB2' ' E' ' 434' ' ' HIS . 13.0 p-10 -62.85 -39.96 95.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.864 0.466 . . . . 99.99 112.003 -172.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' D' ' 26' ' ' PRO . 24.0 t -89.46 -16.82 29.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.467 0.707 . . . . 99.99 111.623 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.87 -65.6 0.99 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.256 -0.646 . . . . 99.99 109.256 -175.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.401 ' CG ' ' HG2' ' E' ' 243' ' ' GLN . 58.1 mm-40 -121.02 -98.78 0.44 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.795 0.838 . . . . 99.99 109.241 172.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . 0.451 ' HB2' ' HA ' ' E' ' 430' ' ' ASP . 13.3 t-160 65.07 15.26 9.89 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 123.981 0.913 . . . . 99.99 111.402 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 4.2 m 56.13 21.75 5.44 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.821 1.248 . . . . 99.99 110.695 -168.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 86.42 -104.58 2.92 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.139 -0.937 . . . . 99.99 110.886 -169.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 10.1 t 59.71 35.95 22.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.325 1.45 . . . . 99.99 111.365 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.08 94.07 5.26 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.374 -0.83 . . . . 99.99 110.484 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.589 HD12 ' H ' ' E' ' 440' ' ' ARG 0.263 1.6 pp 44.08 -77.35 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 126.823 2.049 . . . . 99.99 114.307 178.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.589 ' H ' HD12 ' E' ' 439' ' ' LEU . 26.0 tpt180 -171.0 110.31 0.33 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.324 1.05 . . . . 99.99 108.579 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.43 -60.49 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.618 0.767 . . . . 99.99 109.182 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -99.16 91.65 5.09 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.401 0.68 . . . . 99.99 110.416 -174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -113.52 -57.11 2.33 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.671 0.788 . . . . 99.99 109.381 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 50.13 73.14 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.375 1.47 . . . . 99.99 111.862 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -71.72 149.44 44.9 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 115.117 -0.947 . . . . 99.99 112.551 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 132.34 35.83 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.631 2.22 . . . . 99.99 111.254 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -69.1 -51.3 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.74 0.816 . . . . 99.99 111.552 -171.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 62.78 168.55 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.95 1.3 . . . . 99.99 113.977 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.79 141.64 5.07 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.205 1.002 . . . . 99.99 109.715 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . 0.474 ' HB3' HD11 ' C' ' 136' ' ' LEU . 27.7 t-20 -159.49 159.47 33.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.629 0.772 . . . . 99.99 109.585 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 11' ' ' PHE . 75.1 t -67.48 97.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.689 0.796 . . . . 99.99 110.484 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.491 HG21 HD23 ' E' ' 454' ' ' LEU . 13.1 p 48.53 -67.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 C-N-CA 128.171 2.588 . . . . 99.99 117.334 167.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.847 ' HA3' ' HA ' ' C' ' 136' ' ' LEU . . . 79.94 84.43 0.65 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.785 -0.526 . . . . 99.99 111.785 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.663 HD22 ' SG ' ' A' ' 97' ' ' CYS . 3.7 pp -144.03 131.76 21.31 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 109.412 -0.588 . . . . 99.99 109.412 173.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t 178.89 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.548 1.539 . . . . 99.99 108.785 171.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.91 -51.24 42.13 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.891 1.276 . . . . 99.99 111.26 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 96' ' ' HIS . 98.3 mt-30 67.78 119.87 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.319 1.448 . . . . 99.99 111.118 -172.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.1 m -68.07 99.51 0.88 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.267 -1.383 . . . . 99.99 107.267 164.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.88 -88.0 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.619 1.168 . . . . 99.99 113.194 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.54 ' HB3' ' H ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER 46.05 44.35 11.57 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.842 1.257 . . . . 99.99 111.009 -177.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -63.19 81.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.982 0.913 . . . . 99.99 111.451 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 5.6 t80 58.96 27.94 16.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.246 1.418 . . . . 99.99 112.349 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.0 p -94.91 -7.37 40.24 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.209 0.818 . . . . 99.99 113.209 -172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.592 ' HG3' HG21 ' E' ' 137' ' ' THR . 25.2 ttt -68.55 106.79 2.69 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 173.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.52 -74.23 0.22 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.502 0.721 . . . . 99.99 110.878 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -79.84 163.27 24.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.598 0.759 . . . . 99.99 111.45 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.85 81.91 6.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.277 174.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.627 HD21 HD22 ' A' ' 42' ' ' LEU . 95.6 mt 67.51 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.888 1.275 . . . . 99.99 111.449 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 107.07 113.19 3.75 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.888 -1.285 . . . . 99.99 109.888 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.678 HD22 ' HD2' ' A' ' 38' ' ' PRO . 6.1 tt -139.12 129.0 24.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 -174.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 176.359 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.636 -0.505 . . . . 99.99 109.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -78.89 -92.95 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.13 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 46.08 47.99 12.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.797 1.239 . . . . 99.99 112.147 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.58 97.47 0.05 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.792 -1.549 . . . . 99.99 111.162 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -149.96 -153.93 0.52 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 107.822 -1.177 . . . . 99.99 107.822 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 66.92 96.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.372 1.069 . . . . 99.99 109.311 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p 56.46 -104.82 0.24 Allowed 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 125.733 1.613 . . . . 99.99 110.972 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 166.99 -43.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.893 1.677 . . . . 99.99 107.644 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.8 ptm -78.19 132.53 37.63 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 113.845 -1.525 . . . . 99.99 110.707 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.867 ' HB ' ' HA ' ' E' ' 447' ' ' HIS . 87.9 m -172.35 145.33 1.66 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.078 1.351 . . . . 99.99 108.821 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -92.72 135.25 34.27 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -147.68 138.98 23.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.79 0.436 . . . . 99.99 110.833 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 105' ' ' ILE . 21.3 mt -80.9 131.26 34.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.128 -0.942 . . . . 63.61 109.039 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -92.41 -30.02 15.98 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.694 0.398 . . . . 99.99 110.69 176.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 83' ' ' ILE . 47.1 ttt180 -170.86 137.6 1.26 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.704 0.402 . . . . 87.02 110.506 -172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 HG21 ' A' ' 13' ' ' ILE . 60.3 mt -126.07 135.75 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 C-N-CA 124.016 0.926 . . . . 27.8 108.659 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' HE1' HG13 ' A' ' 83' ' ' ILE . 24.9 p90 -168.25 152.95 6.33 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.651 0.78 . . . . 37.37 110.996 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.419 HG21 ' SG ' ' A' ' 113' ' ' CYS . 66.5 p -80.65 122.07 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.007 . . . . 12.57 109.416 174.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -89.44 -19.07 25.59 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.987 -0.375 . . . . 37.56 109.987 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 24.9 t70 -158.56 141.73 14.84 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.099 -0.955 . . . . 38.09 109.294 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 82.8 mt -142.01 144.01 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.094 1.758 . . . . 5.43 106.668 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -150.01 143.14 24.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.671 0.748 . . . . 6.92 109.752 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 76.5 t80 -151.74 142.72 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.285 -1.746 . . . . 5.61 106.285 172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.92 141.21 19.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.796 0.807 . . . . 36.27 109.755 168.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.28 74.76 8.96 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 106.494 -1.669 . . . . 12.68 106.494 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.45 -28.86 62.31 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.364 2.043 . . . . 32.78 110.415 175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -94.52 17.86 12.4 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 113.873 -1.512 . . . . 80.05 110.792 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.03 92.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 N-CA-C 114.181 1.178 . . . . 31.49 114.181 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 -21.82 12.77 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 121.952 1.768 . . . . 44.68 112.399 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -85.53 -40.0 16.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.542 0.737 . . . . 99.99 111.632 -169.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.92 -19.49 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.843 0.857 . . . . 99.99 110.929 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -74.38 -39.66 62.57 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.688 -0.687 . . . . 99.99 110.755 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.98 -20.7 32.4 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.647 0.379 . . . . 99.99 110.419 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.72 170.93 15.66 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.754 0.822 . . . . 99.99 109.352 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.86 112.06 1.9 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 108.837 -0.801 . . . . 99.99 108.837 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.449 ' CH2' ' HG2' ' A' ' 124' ' ' PRO . 32.6 t90 -97.53 88.37 4.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.935 0.494 . . . . 99.99 110.252 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -149.36 69.15 9.55 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.603 0.761 . . . . 99.99 109.063 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HD2' ' HG ' ' E' ' 470' ' ' LEU . 96.0 Cg_endo -79.81 167.43 20.43 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.574 2.183 . . . . 57.34 113.608 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -97.5 112.26 24.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.07 0.948 . . . . 99.99 109.22 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.36 92.45 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.744 0.783 . . . . 48.36 109.16 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 41.4 tttp -84.22 135.63 34.27 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.581 1.553 . . . . 99.99 110.756 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.49 135.89 53.63 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.437 1.095 . . . . 97.85 109.603 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.735 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 4.6 m-20 -128.64 141.5 51.33 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.954 1.302 . . . . 85.15 108.233 175.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 131' ' ' VAL . 56.2 mt -125.24 120.59 31.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.972 0.909 . . . . 99.99 109.225 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.2 m-20 -134.19 146.13 49.86 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.436 0.694 . . . . 78.84 109.779 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.457 ' H ' HD21 ' E' ' 460' ' ' LEU . 53.4 m -144.39 132.5 21.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.773 0.829 . . . . 43.33 109.708 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.63 151.01 47.86 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.056 . . . . 41.53 108.428 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 p -130.9 151.87 50.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.941 0.496 . . . . 88.8 110.625 -175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -151.9 140.32 20.55 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.877 0.871 . . . . 73.87 109.825 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -78.77 133.79 37.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.393 0.677 . . . . 99.99 109.674 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 57' ' ' GLU . 70.9 mt -107.26 -37.8 6.15 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.588 0.755 . . . . 99.99 110.376 176.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -155.73 -175.53 5.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.577 0.751 . . . . 99.99 109.793 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.19 119.87 13.45 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.091 -0.707 . . . . 99.99 109.091 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 68.05 7.81 6.08 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.457 1.503 . . . . 99.99 112.345 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 74.3 t -113.58 109.01 26.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 C-N-CA 124.345 1.058 . . . . 99.99 108.311 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -129.69 127.35 40.32 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.619 0.768 . . . . 99.99 109.029 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 51' ' ' LEU . 37.0 tt0 -90.8 141.05 29.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.616 -1.175 . . . . 57.04 109.918 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 103' ' ' PRO . 91.7 t -123.19 127.37 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.192 -1.41 . . . . 54.22 107.192 166.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -108.37 134.94 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.924 0.89 . . . . 29.36 109.113 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -115.53 116.52 28.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.995 -1.113 . . . . 19.86 107.995 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.831 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.4 ttp180 -94.54 103.32 15.28 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.19 122.25 45.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.432 -1.322 . . . . 13.6 107.432 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 22.5 m -116.94 134.79 54.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.673 -0.862 . . . . 17.22 108.673 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 84.0 t -134.53 105.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.897 1.279 . . . . 14.92 108.537 -169.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 26.0 m -103.66 141.24 36.4 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.281 -1.007 . . . . 21.43 108.281 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.97 103.76 6.73 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.239 -1.393 . . . . 23.61 107.239 169.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 20.7 p -137.88 126.59 23.75 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.354 0.408 . . . . 57.75 110.533 -174.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -95.23 85.76 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.917 0.887 . . . . 99.99 108.867 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.88 -86.18 1.08 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-N 115.346 -0.843 . . . . 93.1 113.002 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -26.06 9.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.178 0.591 . . . . 99.99 111.211 -174.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.83 128.51 54.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.822 0.449 . . . . 99.99 110.645 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 99.5 m -87.99 133.73 33.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.201 0.601 . . . . 30.12 109.931 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.63 -59.9 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.012 1.325 . . . . 22.88 108.71 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.57 132.94 7.07 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.13 -1.85 . . . . 30.01 109.2 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 76' ' ' CYS . 26.2 tp -106.39 139.41 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.455 -0.943 . . . . 14.44 108.455 171.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.684 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 60.1 m -135.07 134.04 39.93 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 124.806 1.242 . . . . 14.43 108.751 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.82 131.8 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.452 0.569 . . . . 35.14 109.575 173.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.52 112.43 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.431 0.692 . . . . 9.47 109.838 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.718 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 51.6 mt-30 -85.66 85.43 7.41 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.895 -0.78 . . . . 43.33 108.895 170.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.1 102.47 6.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.604 -1.18 . . . . 15.31 109.798 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.8 152.07 25.72 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 111.377 -0.689 . . . . 20.02 111.377 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.06 123.12 1.57 Allowed Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 111.154 -0.778 . . . . 41.88 111.154 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HD3' ' A' ' 15' ' ' ARG . 40.7 mt -82.22 127.47 39.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.634 -0.876 . . . . 66.87 108.634 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -130.58 133.14 45.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.161 0.584 . . . . 77.52 110.334 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 p -91.45 122.23 33.86 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.627 0.771 . . . . 99.99 109.658 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' E' ' 453' ' ' GLY . 0.0 OUTLIER -111.19 131.79 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.083 0.953 . . . . 99.99 109.722 -177.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 140.23 8.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.625 0.77 . . . . 99.99 110.461 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.528 ' H ' HG12 ' E' ' 451' ' ' VAL . . . 97.37 -31.36 7.84 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 114.781 0.672 . . . . 99.99 114.781 176.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -115.99 144.8 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.222 0.609 . . . . 99.99 110.717 -176.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 -175.65 4.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.112 0.965 . . . . 99.99 109.262 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.06 -152.64 47.35 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 123.315 0.385 . . . . 99.99 113.115 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -25.79 67.44 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.154 1.382 . . . . 99.99 111.543 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 141' ' ' LEU . 57.3 tt0 -62.63 -49.59 74.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.713 0.805 . . . . 99.99 110.131 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -76.62 -29.98 56.71 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.92 -1.037 . . . . 99.99 110.941 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.1 -31.82 72.31 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.053 0.541 . . . . 99.99 110.641 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -74.09 -43.22 58.44 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.638 0.775 . . . . 99.99 109.864 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 37.3 t -64.56 -30.44 71.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.358 0.663 . . . . 99.99 112.456 -173.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 69.9 mt -101.64 -34.25 9.57 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.076 0.55 . . . . 99.99 111.225 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.02 -18.84 58.77 Favored Glycine 0 N--CA 1.477 1.367 0 N-CA-C 114.526 0.57 . . . . 99.99 114.526 -172.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -133.09 -42.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.25 0.62 . . . . 95.56 111.102 -174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 89.0 t80 -78.63 -43.39 26.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.523 0.729 . . . . 94.48 111.813 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 96.1 m -59.63 -50.34 87.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-O 118.523 -0.751 . . . . 73.2 112.181 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 37.2 Cg_endo -65.79 -23.23 55.77 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 121.795 1.663 . . . . 48.9 113.345 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.33 -39.43 94.53 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.051 0.453 . . . . 94.19 110.178 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 13' ' ' ILE . 1.7 mp -79.81 -33.34 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 123.955 0.902 . . . . 55.88 110.772 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 103' ' ' PRO . 50.9 mt -67.78 -27.44 66.76 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.475 0.71 . . . . 21.71 112.288 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -63.52 -45.68 83.44 Favored Pre-proline 0 CA--C 1.563 1.444 0 CA-C-O 118.041 -0.98 . . . . 15.39 113.364 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 50.2 Cg_exo -57.48 -29.75 85.8 Favored 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 122.365 2.043 . . . . 9.95 114.516 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.3 -36.04 27.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.072 0.549 . . . . 20.66 111.373 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.88 -45.66 88.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.319 -0.622 . . . . 7.34 109.319 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 130' ' ' PRO . 35.1 ttm180 -52.35 -51.93 56.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.458 1.503 . . . . 15.45 111.056 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.24 -39.91 94.93 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.27 0.981 . . . . 46.26 111.077 -175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 18' ' ' THR . 54.1 t -66.26 -37.26 85.05 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 4.41 111.322 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.36 -43.89 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 124.272 1.029 . . . . 7.34 109.863 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.518 HG21 ' HE2' ' C' ' 109' ' ' TYR . 82.9 m -67.76 -38.53 83.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.809 -1.087 . . . . 7.28 111.882 -175.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.2 t -65.77 -51.58 57.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.706 -0.679 . . . . 4.96 111.314 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.03 64.4 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.733 0.642 . . . . 48.88 112.733 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 126' ' ' LEU . 7.2 p -74.87 -29.94 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 120.621 0.248 . . . . 26.6 110.53 174.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.0 t -71.0 -31.94 68.61 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.545 0.738 . . . . 17.97 110.37 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.469 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 92.3 mtt-85 -68.68 -22.22 64.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.676 0.79 . . . . 8.38 110.727 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.419 ' HA2' ' H ' ' B' ' 18' ' ' THR . . . -76.07 2.98 54.1 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-O 119.23 -0.761 . . . . 6.18 113.914 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m 56.59 19.99 4.63 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-O 122.893 1.33 . . . . 20.1 110.207 -174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.18 158.39 55.44 Favored Pre-proline 0 C--O 1.245 0.825 0 CA-C-N 114.314 -1.312 . . . . 13.71 109.09 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' CH2' ' A' ' 36' ' ' TRP . 65.7 Cg_exo -48.36 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 122.647 2.232 . . . . 20.05 112.216 164.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.454 ' HB3' ' CB ' ' E' ' 132' ' ' SER . 35.6 tt0 -48.03 119.63 3.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.022 1.329 . . . . 39.31 110.736 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.421 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.3 tm? -107.17 106.47 16.96 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.914 -1.143 . . . . 56.76 107.914 -165.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -97.37 112.03 24.03 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.988 -1.486 . . . . 38.41 106.988 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -74.03 139.19 44.56 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.888 0.875 . . . . 62.97 113.009 -164.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.01 126.41 92.43 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.714 0.806 . . . . 56.46 111.886 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.537 ' HB3' ' NH2' ' A' ' 111' ' ' ARG . 58.7 Cg_endo -77.02 147.42 26.67 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 123.104 2.536 . . . . 77.42 113.303 174.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 44' ' ' LEU . 58.6 t -115.1 132.23 65.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.413 1.085 . . . . 99.99 109.158 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.418 ' HB2' ' H ' ' E' ' 140' ' ' GLY . 63.5 t30 -88.0 65.81 8.38 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 122.204 1.002 . . . . 99.99 109.134 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -82.15 -24.74 34.88 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.716 -1.129 . . . . 99.99 110.488 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.01 -43.34 95.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.124 0.97 . . . . 99.99 110.943 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.62 74.34 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.612 0.597 . . . . 99.99 112.612 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.71 -38.38 90.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.272 0.629 . . . . 99.99 109.416 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.63 -19.61 37.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.361 0.664 . . . . 99.99 111.112 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.519 ' HG3' ' HA3' ' E' ' 143' ' ' GLY . 1.3 tmt? -67.37 -29.05 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.406 0.682 . . . . 99.99 111.543 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -58.11 -29.73 65.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.355 0.598 . . . . 99.99 111.217 173.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -91.88 -30.77 15.98 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.395 1.078 . . . . 99.99 111.773 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 93' ' ' GLN . 23.8 tp -44.38 -52.22 7.91 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.086 1.354 . . . . 99.99 114.041 -173.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -174.38 31.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.448 0.642 . . . . 99.99 111.424 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 64.47 6.42 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -142.24 99.67 3.56 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.814 . . . . 99.99 110.921 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 56.26 -161.8 0.18 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.845 1.258 . . . . 99.99 112.947 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -72.27 87.49 0.5 Allowed Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.658 -0.577 . . . . 99.99 111.658 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.14 152.67 7.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.764 1.226 . . . . 99.99 112.77 -175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.72 43.76 1.25 Allowed Glycine 0 N--CA 1.469 0.882 0 CA-C-N 115.717 -0.674 . . . . 99.99 111.512 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -104.14 -6.81 20.68 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.543 0.737 . . . . 99.99 111.247 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -111.19 0.07 Allowed 'General case' 0 CA--C 1.557 1.25 0 CA-C-O 117.684 -1.151 . . . . 99.99 109.805 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 68.34 -63.15 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 125.815 1.646 . . . . 99.99 111.757 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -56.33 91.41 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.357 1.463 . . . . 99.99 110.491 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.94 -58.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.74 -1.948 . . . . 99.99 105.74 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.53 -39.76 14.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.27 -1.332 . . . . 99.99 108.25 168.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.85 -1.068 . . . . 99.99 109.249 171.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.076 -0.342 . . . . 99.99 110.076 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 t -147.51 177.47 9.23 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.838 0.855 . . . . 99.99 108.825 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -84.26 -96.25 0.06 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 109.611 -0.514 . . . . 99.99 109.611 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 167.62 -49.66 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.635 1.574 . . . . 99.99 107.144 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -166.34 -67.13 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 114.287 -1.324 . . . . 99.99 108.847 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.29 -75.56 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.631 1.573 . . . . 99.99 113.105 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -92.61 -172.73 3.14 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.169 0.988 . . . . 99.99 110.596 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -71.36 88.36 0.87 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.682 -0.859 . . . . 99.99 108.682 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.629 ' HG3' HG23 ' B' ' 89' ' ' ILE . 1.4 tmt? 66.44 170.8 0.24 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.068 1.347 . . . . 99.99 111.459 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.428 ' N ' ' SD ' ' B' ' 9' ' ' MET . 9.0 t -148.27 127.34 12.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.491 0.717 . . . . 99.99 110.04 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -152.19 147.84 26.9 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.335 0.654 . . . . 93.55 110.891 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.45 ' HG2' ' OG ' ' B' ' 85' ' ' SER . 14.3 pt20 -162.82 143.76 9.79 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.165 0.986 . . . . 99.99 109.83 166.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 57.0 mt -84.08 110.72 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.459 -0.941 . . . . 40.88 108.459 174.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -99.24 -44.51 6.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.309 0.644 . . . . 85.25 111.499 -171.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -150.59 138.56 20.06 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.825 0.45 . . . . 95.33 110.054 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.51 140.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.51 1.124 . . . . 13.6 108.078 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' B' ' 83' ' ' ILE . 29.7 p90 -173.28 168.81 4.61 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.572 0.582 . . . . 23.1 112.572 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.419 ' H ' ' HA2' ' A' ' 121' ' ' GLY . 94.9 m -94.52 127.83 40.71 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.809 1.243 . . . . 6.51 110.122 176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -98.53 -31.89 11.74 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.427 0.691 . . . . 19.94 111.407 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -151.68 139.27 19.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.547 0.339 . . . . 37.8 110.637 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 30.3 mm -133.69 145.24 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.562 1.145 . . . . 5.14 109.646 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.439 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 45.1 t -145.99 134.84 22.45 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.874 -1.057 . . . . 19.25 108.789 168.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 87.6 t80 -140.03 135.8 33.03 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.242 -1.392 . . . . 9.84 107.242 167.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' B' ' 75' ' ' LEU . 42.9 mt-10 -137.03 154.06 50.47 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.662 -0.866 . . . . 50.65 108.662 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.66 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -150.48 86.28 5.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 107.839 -1.171 . . . . 18.09 107.839 174.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.67 -28.96 30.42 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.405 2.07 . . . . 31.77 111.645 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 71' ' ' GLU . 86.9 m-20 -111.42 19.28 18.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.454 1.102 . . . . 49.39 110.455 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -42.44 -49.7 12.38 Favored Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 125.475 1.51 . . . . 51.5 113.886 173.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 8.7 Cg_exo -74.02 -40.42 1.33 Allowed 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.44 2.093 . . . . 70.98 112.555 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.7 t-80 -71.35 -25.9 62.59 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.729 0.811 . . . . 99.99 112.172 -172.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.414 HG12 ' O ' ' B' ' 28' ' ' ALA . 4.6 p -75.96 -0.83 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.065 0.946 . . . . 99.99 112.456 -171.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -59.27 -29.52 67.62 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.09 0.956 . . . . 99.99 111.597 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.1 pt20 -81.44 -20.44 40.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.675 0.79 . . . . 99.99 111.684 177.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 86.6 mttt -105.02 96.52 6.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.62 0.768 . . . . 98.87 111.276 -174.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -115.63 91.39 3.59 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.854 0.835 . . . . 99.99 110.705 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -156.85 179.25 9.47 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.886 0.874 . . . . 99.99 109.126 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -77.47 121.95 85.2 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 122.546 0.338 . . . . 99.99 110.155 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.46 142.25 29.43 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.367 2.044 . . . . 63.52 113.164 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 110.61 2.1 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 173.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.67 125.09 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.331 0.653 . . . . 72.1 110.599 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.515 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 11.5 tmtt? -113.59 143.5 44.46 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 105.781 -1.933 . . . . 99.99 105.781 177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 2.3 pp -127.98 150.02 50.09 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.107 0.479 . . . . 96.73 110.86 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 21.4 m-20 -144.43 151.59 39.44 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.387 1.075 . . . . 92.63 108.303 166.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' E' ' 11' ' ' LEU . 6.6 mp -114.58 157.55 22.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.523 0.729 . . . . 67.27 109.247 172.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.6 t70 -152.65 152.53 31.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.858 0.863 . . . . 58.71 109.008 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.6 p -130.0 145.01 51.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.136 0.575 . . . . 66.97 111.165 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.59 148.17 24.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 35.64 108.523 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.6 p -145.5 167.99 21.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.745 0.418 . . . . 74.75 110.934 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.9 p -152.5 136.72 16.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.833 0.853 . . . . 43.74 109.264 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -81.82 127.58 33.13 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.383 -0.599 . . . . 89.61 109.383 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' B' ' 57' ' ' GLU . 19.5 mt -101.36 -44.36 5.66 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.617 0.767 . . . . 71.01 110.208 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -156.26 -170.16 3.28 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.236 -0.893 . . . . 85.91 110.481 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.07 114.0 6.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.117 0.967 . . . . 99.99 109.153 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.24 3.97 2.96 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 125.403 1.481 . . . . 99.99 112.846 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 96.9 t -104.15 115.49 46.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.266 -1.012 . . . . 76.71 108.266 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.45 154.97 44.42 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.796 -0.816 . . . . 98.07 108.796 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.0 tm-20 -113.85 111.71 22.18 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.359 -1.349 . . . . 46.84 107.359 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.813 HG11 ' HB2' ' B' ' 98' ' ' LEU . 79.7 t -104.18 136.24 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 57.34 109.892 -176.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.05 147.08 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 21.57 109.39 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.1 tp -133.48 111.74 10.96 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.618 -1.253 . . . . 62.33 107.618 166.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.75 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 23.2 ttp180 -87.0 134.61 33.47 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.684 0.794 . . . . 95.32 111.309 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.24 108.03 24.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 113.613 -1.631 . . . . 14.84 108.773 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.6 m -99.44 132.95 44.43 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.103 -0.703 . . . . 28.15 109.103 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.22 126.84 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.378 1.071 . . . . 18.14 109.207 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 65.6 m -119.19 121.31 39.42 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.276 -0.638 . . . . 24.35 109.276 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.51 48.78 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.372 -0.973 . . . . 26.44 108.372 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.53 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 21.6 m -135.72 135.55 40.12 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.522 0.329 . . . . 56.64 110.558 -176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 84.4 mt -116.32 99.38 7.16 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.877 -1.157 . . . . 62.67 107.877 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.78 -139.17 23.27 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.868 -0.605 . . . . 81.37 112.94 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -90.87 31.3 1.08 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.452 1.101 . . . . 99.99 111.763 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' ND2' ' B' ' 27' ' ' ASN . 11.1 pt-20 -149.46 158.76 44.46 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.48 0.712 . . . . 99.99 109.708 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -77.88 121.33 23.98 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.927 0.491 . . . . 33.32 109.797 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.53 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -70.12 -65.67 0.69 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.773 -1.195 . . . . 25.99 107.773 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -154.95 171.22 20.06 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 115.068 -0.969 . . . . 18.76 111.275 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' B' ' 24' ' ' GLU . 67.2 mt -129.57 133.16 47.04 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 105.95 -1.87 . . . . 16.93 105.95 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 46.8 t -143.17 141.32 31.11 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.23 -0.655 . . . . 12.76 109.23 175.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 43.8 tt0 -158.14 132.19 7.99 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.774 -0.454 . . . . 30.38 109.774 -168.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' B' ' 113' ' ' CYS . 61.7 t -133.65 146.11 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.699 0.8 . . . . 8.91 110.229 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 32.6 mt-30 -111.75 104.48 12.82 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.614 -1.254 . . . . 33.15 107.614 165.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 6.4 tp-100 -94.43 100.4 12.42 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 107.394 -1.335 . . . . 11.26 107.394 172.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.26 158.07 27.48 Favored Glycine 0 C--O 1.244 0.734 0 CA-C-N 115.0 -1.0 . . . . 11.78 111.567 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.47 126.47 2.68 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.466 -0.654 . . . . 23.01 111.466 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' B' ' 17' ' ' TYR . 73.1 mt -85.03 127.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 108.164 -1.05 . . . . 39.34 108.164 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 27.0 m-85 -140.36 148.91 42.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.195 0.998 . . . . 63.88 108.784 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.45 ' OG ' ' HG2' ' B' ' 12' ' ' GLN . 64.7 p -98.57 91.64 5.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.716 -1.587 . . . . 82.93 106.716 165.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.7 tt -130.9 111.68 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 CA-C-N 114.759 -1.11 . . . . 98.2 110.839 -162.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.44 170.63 21.87 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.139 0.575 . . . . 99.99 110.731 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.22 -33.35 6.31 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 115.979 -0.555 . . . . 99.99 112.777 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' B' ' 9' ' ' MET . 7.5 pt -82.59 149.41 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.913 0.885 . . . . 99.99 112.279 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.21 149.56 29.57 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.558 1.143 . . . . 99.99 109.359 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.66 -113.84 4.38 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.275 -0.421 . . . . 99.99 113.968 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 38.3 m -77.46 -58.57 3.2 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.565 0.746 . . . . 99.99 112.89 -167.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -22.34 66.24 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.432 0.693 . . . . 99.99 109.837 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.615 ' HA ' HD12 ' B' ' 89' ' ' ILE . 1.6 tmt? -60.27 -55.72 30.27 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.703 0.801 . . . . 99.99 111.198 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.13 -19.19 62.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.77 -0.65 . . . . 99.99 111.254 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.62 ' NE2' ' HB2' ' B' ' 134' ' ' ASP . 55.6 t-80 -76.32 -34.97 59.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.099 0.559 . . . . 99.99 110.541 173.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.0 m -71.1 -67.93 0.48 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.011 -0.366 . . . . 99.99 110.011 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.813 ' HB2' HG11 ' B' ' 58' ' ' VAL . 2.4 pp -83.95 -2.64 56.94 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.0 0.741 . . . . 71.23 113.0 -169.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -112.8 3.63 25.94 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-O 119.615 -0.547 . . . . 59.87 113.596 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -152.82 -59.86 0.14 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.489 0.644 . . . . 71.19 111.33 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.463 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 67.3 t80 -65.4 -42.65 92.39 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.435 1.094 . . . . 99.99 112.158 -175.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.06 -50.59 0.97 Allowed Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 123.599 0.759 . . . . 50.37 111.855 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 -9.2 25.06 Favored 'Trans proline' 0 C--N 1.398 3.16 0 C-N-CA 121.883 1.722 . . . . 36.29 113.763 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.57 -37.56 70.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.649 0.78 . . . . 87.59 111.418 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 105' ' ' ILE . 3.5 mp -86.75 -24.48 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 123.508 0.723 . . . . 37.19 109.505 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.19 -25.07 57.94 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.247 0.619 . . . . 13.07 111.424 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.01 -47.75 94.48 Favored Pre-proline 0 N--CA 1.493 1.694 0 CA-C-O 117.476 -1.249 . . . . 99.99 113.179 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.16 -41.05 27.4 Favored 'Trans proline' 0 C--N 1.396 3.071 0 C-N-CA 122.774 2.316 . . . . 10.37 114.356 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -77.59 -47.48 19.28 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.747 0.819 . . . . 12.29 111.596 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.93 -35.4 79.99 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.045 0.538 . . . . 8.75 110.941 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -61.34 -54.75 39.76 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.502 -1.226 . . . . 59.14 110.54 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.51 -30.87 71.68 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.204 0.94 . . . . 51.9 110.034 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 117' ' ' MET . 10.7 t -69.59 -36.4 76.2 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.697 -0.683 . . . . 13.3 110.74 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.561 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 59.6 mt -68.08 -50.15 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 N-CA-C 109.643 -0.503 . . . . 9.86 109.643 173.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 38.7 m -57.58 -35.68 70.71 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.872 1.269 . . . . 13.13 111.973 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 38.6 t -68.75 -40.34 79.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.748 0.819 . . . . 8.02 110.944 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 18.4 mmt -71.54 -31.16 66.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.593 0.357 . . . . 26.78 110.89 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.4 t -60.87 -44.34 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.66 0.784 . . . . 13.3 110.78 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -72.64 -22.32 60.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.832 0.453 . . . . 29.79 112.006 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 116' ' ' SER . 91.6 mtt-85 -73.26 -20.4 60.84 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 122.72 0.408 . . . . 11.55 110.89 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.71 7.04 77.41 Favored Glycine 0 C--N 1.35 1.315 0 N-CA-C 112.16 -0.376 . . . . 16.97 112.16 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 17' ' ' TYR . 68.6 p 59.7 26.62 15.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.543 1.937 . . . . 23.15 112.784 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -87.35 157.82 52.76 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.856 0.862 . . . . 23.84 110.089 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.21 151.93 80.36 Favored 'Trans proline' 0 C--N 1.389 2.662 0 C-N-CA 122.892 2.395 . . . . 29.89 111.789 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.665 ' HB3' ' HG3' ' C' ' 125' ' ' GLN . 4.8 pp0? -59.49 148.83 31.57 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.503 0.721 . . . . 99.99 112.494 -174.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.9 tp -143.58 93.27 2.45 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.573 -0.899 . . . . 72.13 108.573 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -90.69 100.65 13.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.373 -0.602 . . . . 73.04 109.373 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.09 143.89 21.07 Favored 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.956 1.702 . . . . 90.81 111.217 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.493 ' H ' HD11 ' E' ' 6' ' ' ILE . . . -81.27 147.85 61.68 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 123.356 0.662 . . . . 43.15 110.082 175.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.546 ' HG3' ' HB ' ' E' ' 306' ' ' VAL . 88.2 Cg_endo -77.67 92.57 1.12 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.288 1.992 . . . . 61.27 111.078 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 69.3 t -88.82 109.34 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 109.354 -0.61 . . . . 99.57 109.354 -173.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' E' ' 64' ' ' ALA . 53.7 t30 -94.2 103.48 15.51 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.351 0.66 . . . . 99.99 109.409 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' B' ' 44' ' ' LEU . 60.4 m-85 -70.51 -1.88 12.3 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.137 1.375 . . . . 99.99 113.835 -170.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.62 ' HB2' ' NE2' ' B' ' 96' ' ' HIS . 0.6 OUTLIER -48.92 -34.88 13.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.541 1.536 . . . . 99.99 113.201 -173.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.59 54.79 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.661 1.184 . . . . 99.99 113.584 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.416 ' HB2' HD21 ' E' ' 10' ' ' LEU . 25.6 tp -63.89 -53.55 48.74 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.349 0.595 . . . . 99.99 110.247 178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.74 -19.69 48.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.655 -1.157 . . . . 99.99 111.473 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.81 -36.99 62.45 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.716 0.806 . . . . 99.99 109.623 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -87.48 -3.47 59.0 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.533 -0.758 . . . . 99.99 111.139 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -89.6 -29.58 18.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.471 0.308 . . . . 99.99 110.266 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 3.6 pp -91.62 38.43 0.98 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.6 0.714 . . . . 99.99 109.494 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -44.52 -27.8 0.5 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.561 1.945 . . . . 99.99 114.585 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.47 HE22 ' HA3' ' B' ' 146' ' ' GLY . 1.0 OUTLIER -52.85 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.036 0.934 . . . . 99.99 111.964 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 59.0 -89.58 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.643 1.577 . . . . 99.99 111.813 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.7 52.92 0.08 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.964 0.506 . . . . 99.99 110.312 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . 0.47 ' HA3' HE22 ' B' ' 143' ' ' GLN . . . -78.32 68.15 2.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.703 -0.681 . . . . 99.99 112.499 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -175.4 -38.79 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.554 1.142 . . . . 99.99 109.907 -172.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -70.23 78.72 0.42 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 115.523 -0.762 . . . . 99.99 112.908 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 33.2 m 66.15 -73.69 0.07 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.906 1.683 . . . . 99.99 111.265 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 75.33 -24.52 0.22 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.305 1.442 . . . . 99.99 112.965 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.1 -43.18 91.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.123 1.369 . . . . 99.99 111.769 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -109.16 77.29 1.05 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.129 -0.941 . . . . 99.99 109.744 -169.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -73.3 -20.46 60.8 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.474 0.71 . . . . 99.99 112.32 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.89 -30.26 70.37 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.974 0.51 . . . . 99.99 110.865 173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.2 0 O-C-N 124.587 1.18 . . . . 99.99 110.251 -175.456 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptm . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 121.404 0.621 . . . . 99.99 110.773 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -72.41 -34.25 67.74 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.094 -0.706 . . . . 99.99 109.094 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.461 ' HG2' ' HG3' ' E' ' 156' ' ' GLU . 14.8 tp10 -107.91 -76.81 0.61 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.981 0.913 . . . . 99.99 109.572 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.656 ' HG2' ' SD ' ' E' ' 157' ' ' MET . 26.1 tp60 -172.6 -42.18 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.314 0.645 . . . . 99.99 111.019 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' C' ' 151' ' ' GLU . 25.7 t-20 77.86 101.99 0.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.65 1.58 . . . . 99.99 111.071 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -148.77 -14.39 0.32 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.107 1.763 . . . . 99.99 108.964 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p 55.72 76.09 0.29 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.799 2.04 . . . . 99.99 112.583 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 61.94 177.69 0.13 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.372 1.469 . . . . 99.99 113.043 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ttt 63.0 114.55 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.74 1.216 . . . . 99.99 110.854 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 24.7 m -85.69 76.02 10.02 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.279 -1.008 . . . . 99.99 108.279 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -111.11 119.95 40.7 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.257 -1.338 . . . . 99.99 108.082 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.95 125.65 15.95 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.568 HD13 ' HB2' ' E' ' 136' ' ' LYS . 3.0 mp -86.21 117.96 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.755 -1.202 . . . . 56.3 107.755 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -74.1 -48.42 29.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 110.167 -0.309 . . . . 93.16 110.167 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.454 HH11 ' HZ2' ' E' ' 131' ' ' TRP . 0.0 OUTLIER -163.47 145.02 9.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.189 0.596 . . . . 99.99 111.237 177.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 81.5 mt -108.19 141.58 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 106.59 -1.633 . . . . 11.74 106.59 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.56 ' HE1' HG12 ' C' ' 83' ' ' ILE . 19.8 p90 -177.11 158.81 1.57 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.832 0.707 . . . . 19.28 110.353 -175.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -79.24 123.18 27.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.411 0.684 . . . . 6.91 109.93 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' C' ' 17' ' ' TYR . 19.2 mmtp -75.01 -47.88 26.88 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.945 0.879 . . . . 21.95 109.014 170.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.792 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 20.5 t70 -136.84 141.63 42.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 113.396 -1.729 . . . . 50.62 110.29 -171.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.01 148.1 25.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 125.357 1.463 . . . . 5.12 107.664 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -158.29 151.58 23.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 123.4 0.68 . . . . 9.28 110.949 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -154.28 108.18 2.97 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 107.33 -1.359 . . . . 8.82 107.33 170.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -116.96 120.8 39.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.379 0.671 . . . . 30.58 109.592 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.71 83.62 65.63 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.296 -1.001 . . . . 12.04 108.296 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.49 -24.46 19.03 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.807 2.338 . . . . 30.41 112.534 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -105.5 23.12 14.31 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.764 0.825 . . . . 61.38 109.761 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.676 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -59.77 -46.48 98.41 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.439 1.274 . . . . 26.66 114.439 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -74.52 -32.36 6.25 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.102 1.868 . . . . 35.22 111.622 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.46 -21.3 65.54 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.435 1.494 . . . . 48.75 112.142 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.33 -20.03 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 124.73 1.212 . . . . 55.24 113.413 -172.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.419 ' HZ ' ' HD2' ' D' ' 15' ' ' ARG . 95.4 m-85 -75.96 -38.94 57.0 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.435 0.694 . . . . 99.99 112.219 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -93.35 14.17 19.23 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.008 0.432 . . . . 97.11 111.303 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 3.8 ttmp? -91.24 160.77 15.36 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.727 1.211 . . . . 88.6 109.846 174.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.03 118.04 20.65 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 167.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.419 ' HZ3' ' HA2' ' E' ' 299' ' ' GLY . 11.4 m0 -80.35 66.66 5.93 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.749 0.82 . . . . 99.99 110.379 -174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -153.08 68.17 6.57 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 115.601 -0.727 . . . . 99.99 109.646 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.87 145.37 15.8 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 123.009 2.473 . . . . 68.93 112.141 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.62 116.74 29.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.533 0.733 . . . . 99.99 109.115 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.26 115.69 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.12 0.968 . . . . 87.15 110.32 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' E' ' 290' ' ' TRP . 13.4 mptt -125.16 144.24 50.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.287 1.035 . . . . 99.99 109.055 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.51 HD22 ' HE3' ' E' ' 290' ' ' TRP . 2.1 pt? -98.43 161.93 13.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.424 0.689 . . . . 94.05 109.925 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 34.7 t70 -149.5 148.67 29.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.87 0.868 . . . . 99.99 108.897 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' E' ' 285' ' ' ASN . 16.1 tp -131.35 142.61 50.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.899 0.48 . . . . 71.87 109.796 -171.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 10.0 t70 -146.84 148.72 32.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.69 1.196 . . . . 92.17 108.186 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . 0.412 ' HB ' ' CD1' ' E' ' 281' ' ' PHE . 40.7 p -127.85 143.2 51.12 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.636 0.775 . . . . 62.96 111.136 -172.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.98 163.07 40.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.382 1.073 . . . . 35.73 109.559 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 45.3 p -155.06 170.7 21.17 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.072 0.463 . . . . 56.22 111.374 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' C' ' 57' ' ' GLU . 21.8 m -153.1 163.57 39.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.28 1.032 . . . . 43.42 109.949 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -105.31 144.96 31.37 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.193 -1.41 . . . . 99.99 107.193 158.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' C' ' 57' ' ' GLU . 59.4 mt -116.24 -51.07 2.63 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.582 0.753 . . . . 61.44 110.315 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.96 -164.88 1.81 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.272 -0.876 . . . . 94.06 110.681 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -61.18 105.28 0.47 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.382 1.473 . . . . 99.99 112.134 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.72 -1.67 1.28 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.276 1.431 . . . . 99.99 112.788 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.6 t -95.9 117.21 39.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 124.244 1.017 . . . . 81.86 109.203 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.85 163.71 19.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.028 . . . . 99.99 109.406 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' C' ' 51' ' ' LEU . 31.1 tt0 -126.43 142.74 51.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.297 1.039 . . . . 35.21 109.782 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.43 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 40.8 t -129.12 117.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.313 1.045 . . . . 29.6 108.509 174.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -107.57 130.12 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.489 1.116 . . . . 20.9 108.474 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.18 104.29 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.321 -0.992 . . . . 69.19 108.321 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 37.0 ttm-85 -82.13 123.04 28.61 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.07 0.948 . . . . 99.99 110.013 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -115.25 130.43 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.981 -1.118 . . . . 14.53 107.981 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 96.0 m -121.05 144.75 48.38 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.352 1.061 . . . . 20.42 108.64 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.525 HG21 HG21 ' C' ' 114' ' ' ILE . 76.2 t -138.47 112.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.152 0.981 . . . . 17.7 108.693 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -105.03 138.02 41.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.253 -0.647 . . . . 29.53 109.253 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.51 104.17 8.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.767 -1.197 . . . . 32.22 107.767 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 47.0 m -145.16 146.87 31.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.558 0.743 . . . . 59.66 109.458 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 36.14 3.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.306 1.042 . . . . 97.29 110.266 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.02 -120.11 3.33 Favored Glycine 0 C--N 1.341 0.837 0 N-CA-C 109.765 -1.334 . . . . 76.35 109.765 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -89.4 -25.03 21.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.339 0.656 . . . . 99.99 109.246 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 6.3 tp10 -70.7 105.55 3.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.532 1.133 . . . . 77.02 109.375 172.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 35.9 m -86.35 134.66 33.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.433 -0.58 . . . . 37.0 109.433 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -86.66 -61.66 1.68 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 34.06 109.766 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.24 175.31 11.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.607 -0.724 . . . . 39.96 111.191 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.434 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.4 tm? -144.29 147.98 34.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 106.633 -1.617 . . . . 16.54 106.633 -175.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 43.5 t -151.28 143.67 24.18 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.541 -0.911 . . . . 10.97 108.541 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -155.82 136.69 13.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 110.072 -0.344 . . . . 36.61 110.072 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -136.45 115.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.123 0.969 . . . . 9.25 109.097 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 52.2 mt-30 -88.37 97.44 11.05 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.626 -1.25 . . . . 25.23 107.626 170.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.441 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.3 tp-100 -79.28 132.71 36.55 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.101 -0.954 . . . . 10.64 109.826 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.07 153.38 17.07 Favored Glycine 0 C--O 1.24 0.486 0 CA-C-N 116.008 -0.542 . . . . 10.6 112.222 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.74 132.33 3.87 Favored Glycine 0 CA--C 1.508 -0.376 0 N-CA-C 109.835 -1.306 . . . . 19.17 109.835 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.56 HG12 ' HE1' ' C' ' 17' ' ' TYR . 26.4 mm -104.98 118.78 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 108.657 -0.868 . . . . 30.38 108.657 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' C' ' 13' ' ' ILE . 55.1 m-85 -126.52 115.18 19.14 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.79 -0.819 . . . . 49.62 108.79 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -84.87 107.0 16.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.362 -0.977 . . . . 92.15 108.362 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.616 ' HB ' HD11 ' E' ' 277' ' ' LEU . 19.2 mt -115.67 128.0 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.42 0.688 . . . . 99.99 109.303 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -152.97 158.53 42.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.779 0.831 . . . . 99.99 109.665 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.53 -30.91 5.98 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.172 -0.467 . . . . 99.99 112.0 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mm 73.73 89.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.454 1.502 . . . . 99.99 109.895 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 12.8 mp0 -97.6 -14.77 20.81 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.011 0.924 . . . . 99.99 110.394 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.9 -113.41 4.54 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.532 0.52 . . . . 99.99 112.899 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -60.06 -32.75 71.22 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.832 0.853 . . . . 99.99 111.778 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 0.0 OUTLIER -73.03 -45.2 58.99 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.447 -0.797 . . . . 99.99 109.25 179.181 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' C' ' 90' ' ' GLU . 9.2 tmm? -56.27 -46.37 79.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.585 1.154 . . . . 99.99 111.333 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' E' ' 280' ' ' LEU . . . -65.59 -38.67 90.17 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.161 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -75.98 -27.11 57.35 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 120.731 0.301 . . . . 99.99 110.914 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.46 -43.71 93.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.574 0.75 . . . . 99.99 109.707 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -19.5 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.314 -0.403 . . . . 99.99 111.252 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.81 46.81 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 115.721 1.048 . . . . 68.51 115.721 -168.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.16 -38.63 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 117.775 0.787 . . . . 56.52 111.27 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.91 -51.67 68.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.071 0.948 . . . . 99.99 112.453 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 68.3 m -68.69 -46.15 34.17 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.447 -0.787 . . . . 56.59 111.094 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -47.14 -39.23 26.09 Favored 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 123.019 2.479 . . . . 39.21 114.235 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.53 -39.31 88.55 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.53 0.732 . . . . 71.72 110.679 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 mm -63.91 -49.0 83.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 C-N-CA 123.242 0.617 . . . . 8.71 111.276 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' C' ' 80' ' ' GLN . 3.2 pp -85.99 -8.13 58.17 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 112.041 0.386 . . . . 37.06 112.041 -174.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.4 -48.84 95.05 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 113.709 1.003 . . . . 16.74 113.709 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.64 -30.74 76.48 Favored 'Trans proline' 0 C--N 1.395 3.018 0 C-N-CA 122.213 1.942 . . . . 9.85 113.04 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.518 ' HE2' HG21 ' A' ' 115' ' ' THR . 92.4 m-85 -69.23 -40.19 78.09 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.655 0.782 . . . . 5.88 110.941 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -66.11 -44.91 82.93 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.147 0.579 . . . . 7.64 110.489 174.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.701 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 33.5 ttt-85 -53.41 -57.6 10.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.242 1.817 . . . . 20.64 112.237 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.65 -25.63 60.37 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.981 -0.554 . . . . 38.86 110.68 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.456 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 10.7 t -66.5 -35.21 79.71 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.092 0.557 . . . . 13.9 110.852 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.525 HG21 HG21 ' C' ' 64' ' ' VAL . 82.1 mt -66.62 -48.73 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.919 0.888 . . . . 8.58 110.021 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . 0.777 HG22 HE21 ' C' ' 125' ' ' GLN . 30.2 m -61.56 -35.42 77.73 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.867 0.867 . . . . 8.54 112.0 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t -74.29 -27.06 60.55 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.07 0.948 . . . . 6.56 110.696 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.576 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.75 -29.52 61.18 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.275 0.63 . . . . 5.22 111.287 175.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 114' ' ' ILE . 58.5 t -63.53 -37.98 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 123.007 0.523 . . . . 28.53 110.625 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -70.74 -29.16 65.33 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.036 0.534 . . . . 17.6 111.739 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 78.5 mtt-85 -71.93 -33.61 68.38 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.474 -0.785 . . . . 7.72 110.815 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 5.95 67.23 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.132 -0.485 . . . . 10.8 112.589 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 48.7 p 61.92 21.48 12.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.89 2.076 . . . . 15.17 113.164 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -90.17 144.38 31.08 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 108.39 -0.967 . . . . 24.81 108.39 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.568 ' HG2' ' H ' ' E' ' 298' ' ' HIS . 58.0 Cg_exo -54.25 122.28 11.2 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.985 2.457 . . . . 29.42 111.911 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.777 HE21 HG22 ' C' ' 115' ' ' THR . 12.7 mt-30 -60.18 130.88 48.84 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.15 0.906 . . . . 72.03 112.232 -171.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' E' ' 296' ' ' THR . 3.4 pp -107.25 123.06 47.76 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.702 -1.222 . . . . 59.85 107.702 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.66 HD22 HG21 ' C' ' 115' ' ' THR . 0.1 OUTLIER -88.97 114.01 25.12 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 106.909 -1.515 . . . . 41.85 106.909 -176.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.701 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 1.8 tm? -57.08 124.11 17.6 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.228 0.955 . . . . 38.57 109.013 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' E' ' 291' ' ' LEU . . . -63.24 133.33 95.42 Favored Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 124.678 1.236 . . . . 24.62 111.367 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.27 108.99 2.11 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.957 2.438 . . . . 24.48 113.305 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.24 110.79 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.316 0.646 . . . . 68.05 109.544 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -112.89 76.98 1.01 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.99 -32.44 69.28 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.266 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.76 -19.9 64.44 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.659 1.184 . . . . 99.99 112.064 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' C' ' 139' ' ' ASN . . . -54.33 -24.6 19.95 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.974 0.91 . . . . 99.99 112.836 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 mt -81.42 -42.28 20.62 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.12 0.968 . . . . 99.99 112.154 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -82.97 -57.39 3.31 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 119.326 -0.369 . . . . 99.99 110.765 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -28.45 41.34 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.469 1.108 . . . . 99.99 111.27 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' C' ' 135' ' ' ALA . 48.0 t30 -30.42 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.337 2.255 . . . . 99.99 114.655 164.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -152.68 0.01 OUTLIER 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.952 1.301 . . . . 99.99 111.929 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 tp 69.54 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.079 0.952 . . . . 99.99 113.175 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -73.25 127.99 34.22 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.836 0.854 . . . . 99.99 110.015 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . 0.815 ' HG2' ' H ' ' E' ' 141' ' ' ALA . 0.0 OUTLIER -171.3 10.18 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.148 0.979 . . . . 99.99 112.779 -173.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -62.42 -45.84 91.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 118.509 0.595 . . . . 99.99 111.865 -170.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 178.97 -75.69 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.34 1.456 . . . . 99.99 108.109 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.02 -70.51 0.99 Allowed Glycine 0 C--N 1.363 2.059 0 C-N-CA 123.925 0.774 . . . . 99.99 114.127 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 71.37 -80.59 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.994 1.717 . . . . 99.99 111.227 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 62.78 33.35 86.64 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 111.27 -0.732 . . . . 99.99 111.27 -170.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.2 m 68.56 89.94 0.1 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.51 1.524 . . . . 99.99 109.658 -165.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -155.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.296 0.638 . . . . 99.99 110.091 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' C' ' 5' ' ' ASN . 5.4 tp10 -42.99 -77.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.715 1.606 . . . . 99.99 112.1 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 14.9 m80 165.62 -24.48 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 126.789 2.036 . . . . 99.99 107.914 -165.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 69.54 -67.49 0.22 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.521 1.528 . . . . 99.99 110.85 -169.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.04 -81.81 0.05 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.355 1.062 . . . . 99.99 111.422 -175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 123.472 0.709 . . . . 99.99 109.809 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.47 0.176 . . . . 99.99 110.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -174.35 -41.02 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.422 1.089 . . . . 99.99 109.268 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.467 ' HB3' ' NH1' ' E' ' 84' ' ' ARG . 37.0 tt0 56.99 98.87 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.383 1.873 . . . . 99.99 112.097 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' D' ' 6' ' ' ASN . 29.6 tp60 -162.6 139.15 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.214 0.606 . . . . 99.99 109.726 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . 0.44 ' H ' HE21 ' D' ' 4' ' ' GLN . 10.5 m120 -51.24 -43.56 61.52 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.127 0.971 . . . . 99.99 111.313 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . 0.445 ' H ' ' HG3' ' D' ' 4' ' ' GLN . 8.3 t30 -61.35 -28.06 68.95 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.012 1.325 . . . . 99.99 112.992 -175.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -62.06 -50.81 70.47 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.224 0.609 . . . . 99.99 111.274 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -109.67 175.08 5.58 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.577 0.751 . . . . 99.99 110.509 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -33.53 125.02 0.42 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.115 1.366 . . . . 99.99 111.695 170.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -104.91 127.65 52.83 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.55 0.74 . . . . 99.99 110.311 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.532 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 88.9 t80 -146.55 93.85 2.36 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.519 -0.919 . . . . 76.43 108.519 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -110.11 122.15 46.94 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.713 -0.847 . . . . 99.99 108.713 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' E' ' 305' ' ' ALA . 8.3 mt -75.29 121.44 26.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.677 -0.86 . . . . 41.34 108.677 173.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -92.6 -39.89 11.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.735 0.814 . . . . 79.46 109.964 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.419 ' HD2' ' HZ ' ' C' ' 32' ' ' PHE . 78.0 ttt180 -161.96 144.04 11.33 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.797 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.22 129.83 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 N-CA-C 107.751 -1.203 . . . . 53.22 107.751 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.676 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 5.6 p90 -166.37 176.74 7.24 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.681 0.753 . . . . 19.87 112.164 -169.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p -102.99 127.55 50.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.508 -1.223 . . . . 8.43 109.69 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -98.76 -24.67 14.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.436 0.694 . . . . 36.9 110.757 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.99 122.28 5.59 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.131 0.972 . . . . 36.68 108.402 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' C' ' 117' ' ' MET . 63.8 mt -120.84 145.66 26.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.492 -1.299 . . . . 4.02 107.492 172.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -148.26 145.2 28.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.736 1.214 . . . . 7.64 107.918 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 83.5 t80 -152.5 113.91 4.28 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 105.141 -2.17 . . . . 5.08 105.141 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.45 111.15 14.11 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.161 -0.681 . . . . 28.73 109.161 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -104.29 92.71 4.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.166 0.586 . . . . 7.19 109.421 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -72.29 -44.79 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.72 2.28 . . . . 13.41 113.009 -170.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -113.68 38.54 2.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.311 -0.996 . . . . 11.97 108.311 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -52.56 -58.19 12.8 Favored Pre-proline 0 N--CA 1.486 1.364 0 N-CA-C 113.642 0.978 . . . . 12.01 113.642 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -79.48 -8.98 14.97 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 121.421 1.414 . . . . 20.55 112.553 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' D' ' 33' ' ' GLN . 4.9 t-160 -76.7 -49.06 16.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.623 1.169 . . . . 22.26 109.116 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' D' ' 73' ' ' ALA . 29.6 m -84.35 -5.47 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.973 1.101 . . . . 34.6 113.973 -172.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -65.01 -26.02 68.1 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 118.74 0.7 . . . . 32.96 112.813 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' D' ' 30' ' ' HIS . 29.5 pt20 -69.55 -18.92 63.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.104 0.562 . . . . 99.99 111.308 175.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.61 80.49 7.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.311 1.044 . . . . 31.63 109.61 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -86.18 89.58 7.88 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.474 -0.784 . . . . 99.99 110.034 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -164.71 -174.41 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.579 0.752 . . . . 49.29 110.442 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.87 111.36 8.12 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 124.448 1.099 . . . . 99.99 110.214 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.5 133.41 27.91 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 122.615 2.21 . . . . 31.29 112.235 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.71 111.15 2.29 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.79 115.56 49.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 121.428 0.633 . . . . 52.79 109.422 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -101.42 110.41 22.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.312 1.045 . . . . 99.99 108.523 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -98.65 112.83 24.76 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.816 0.447 . . . . 74.77 110.12 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 18.3 m-20 -107.88 147.61 30.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.126 0.971 . . . . 99.99 108.486 175.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.676 ' HB2' HD22 ' E' ' 111' ' ' LEU . 5.1 mp -125.07 142.79 51.27 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.538 -0.541 . . . . 66.01 109.538 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 7.4 t0 -136.1 152.59 51.01 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.991 1.316 . . . . 79.72 107.903 174.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 28.0 p -135.75 145.02 46.16 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 123.743 0.817 . . . . 77.52 109.895 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.04 39.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.866 1.266 . . . . 38.8 108.051 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' E' ' 105' ' ' GLN . 92.7 p -153.74 156.61 38.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.898 0.38 . . . . 48.36 111.486 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -150.21 137.63 19.72 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.645 0.778 . . . . 52.73 109.453 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -81.37 117.2 21.63 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.035 -0.728 . . . . 99.71 109.035 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.81 -44.89 7.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.383 0.673 . . . . 82.32 109.329 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -144.25 175.75 9.85 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 114.294 -1.321 . . . . 96.95 109.643 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -69.71 126.38 29.55 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.147 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 71.44 0.62 3.53 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 125.07 1.348 . . . . 99.99 112.928 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 40.5 t -128.07 98.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 108.744 -0.836 . . . . 82.8 108.744 -176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.68 146.1 43.95 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.287 -1.005 . . . . 99.99 108.287 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -90.65 122.46 33.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.522 1.129 . . . . 55.89 109.938 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 p -101.43 129.11 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 108.309 -0.997 . . . . 44.56 108.309 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.533 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 40.7 t -114.76 109.58 28.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 124.259 1.024 . . . . 19.48 108.785 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.31 109.05 21.24 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.773 -0.825 . . . . 52.2 108.773 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 29.3 ttm180 -83.06 116.83 22.47 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.778 -0.823 . . . . 99.99 108.778 169.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' D' ' 110' ' ' ALA . 49.5 t -94.82 121.97 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.33 -1.305 . . . . 9.25 107.66 172.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 74.6 m -116.47 138.16 51.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.21 0.604 . . . . 10.79 109.397 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.01 107.96 13.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 124.918 1.287 . . . . 9.72 108.901 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -107.28 94.32 5.03 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.432 -1.322 . . . . 19.36 107.432 172.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.0 149.39 21.3 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.289 -0.634 . . . . 11.33 109.289 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.558 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 70.9 m -147.59 124.09 11.04 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.657 0.598 . . . . 29.87 110.777 -176.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -97.37 113.09 24.69 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.84 -1.17 . . . . 24.97 107.84 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.0 -126.3 8.71 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 115.845 -0.616 . . . . 27.84 111.587 -173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.19 4.47 34.0 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.944 0.898 . . . . 76.3 112.101 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -125.5 159.41 32.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.984 0.514 . . . . 81.89 110.014 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 56.2 m -69.61 124.46 23.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.812 0.695 . . . . 11.35 111.02 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.06 -66.74 0.76 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.375 1.07 . . . . 10.67 108.242 176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -151.22 169.3 22.25 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 115.16 -0.927 . . . . 7.73 110.384 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.92 146.51 45.73 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.518 -1.66 . . . . 11.05 106.518 170.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.642 ' SG ' HG23 ' D' ' 114' ' ' ILE . 38.5 t -156.03 135.72 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.525 -0.917 . . . . 12.97 108.525 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -156.13 128.4 7.6 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.81 0.277 . . . . 47.96 110.962 -169.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.12 119.22 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.53 0.732 . . . . 5.05 110.011 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.643 ' HG2' ' HB2' ' D' ' 61' ' ' ARG . 36.3 mt-30 -86.36 88.07 7.55 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.644 -0.873 . . . . 21.68 108.644 167.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.459 ' O ' HD13 ' D' ' 106' ' ' LEU . 8.6 tp-100 -80.21 96.27 6.53 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.336 -1.357 . . . . 8.01 107.336 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -98.25 146.23 18.1 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 110.93 -0.868 . . . . 11.29 110.93 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.54 138.93 9.59 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 112.111 -0.396 . . . . 22.6 112.111 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.01 118.43 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.858 1.263 . . . . 43.57 108.505 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . 0.741 ' HB2' HD21 ' D' ' 98' ' ' LEU . 27.7 m-85 -133.1 132.91 42.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.179 0.592 . . . . 45.01 109.742 -175.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 78.0 p -87.87 131.53 34.53 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.676 -0.861 . . . . 77.58 108.676 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.506 HG12 HD11 ' D' ' 89' ' ' ILE . 13.5 tt -142.0 135.19 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.659 0.384 . . . . 88.57 110.9 -171.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.61 171.52 8.75 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.543 1.137 . . . . 99.99 110.126 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.54 22.37 29.16 Favored Glycine 0 N--CA 1.483 1.795 0 CA-C-N 116.893 -0.14 . . . . 99.99 113.156 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.506 HD11 HG12 ' D' ' 86' ' ' ILE . 0.9 OUTLIER -140.74 173.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.625 1.57 . . . . 99.99 110.134 -171.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -152.46 163.19 40.03 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.302 0.641 . . . . 99.99 109.575 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 -139.6 22.18 Favored Glycine 0 C--N 1.349 1.295 0 C-N-CA 123.528 0.585 . . . . 99.99 113.389 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -91.84 -37.8 12.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.295 0.638 . . . . 99.99 110.817 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -18.6 45.39 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.338 1.055 . . . . 99.99 112.111 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' E' ' 97' ' ' ILE . 28.3 ptm -49.32 -48.41 46.43 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.234 1.013 . . . . 99.99 112.063 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.97 25.77 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.036 0.534 . . . . 88.9 111.239 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -57.39 -40.45 78.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.875 0.87 . . . . 99.99 111.718 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 64.0 m -62.09 -22.56 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.146 0.578 . . . . 95.17 112.286 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' D' ' 84' ' ' PHE . 0.2 OUTLIER -90.86 -36.19 14.34 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.849 0.86 . . . . 99.99 109.511 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.99 9.51 75.2 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-O 119.494 -0.614 . . . . 66.02 114.476 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -140.6 -55.28 0.51 Allowed 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.693 0.747 . . . . 54.11 111.542 -175.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -71.79 -39.41 69.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.434 0.294 . . . . 40.76 110.979 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 55.6 m -67.5 -44.28 44.63 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-O 118.046 -0.978 . . . . 34.31 112.583 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.53 -32.15 26.49 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 122.255 1.97 . . . . 28.69 114.276 167.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -74.96 -31.6 61.51 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.99 0.516 . . . . 61.29 110.648 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.628 HG23 HG22 ' E' ' 306' ' ' VAL . 42.0 mm -64.41 -42.79 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 123.956 0.903 . . . . 19.65 109.78 169.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 102' ' ' CYS . 98.5 mt -73.15 -26.36 61.17 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.069 -0.968 . . . . 13.09 111.993 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -65.08 -47.46 72.78 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 114.597 1.332 . . . . 10.47 114.597 -170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.41 -27.45 68.05 Favored 'Trans proline' 0 C--N 1.391 2.79 0 C-N-CA 121.948 1.766 . . . . 6.22 113.894 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -90.65 -28.42 18.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.343 0.657 . . . . 10.48 111.251 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' D' ' 62' ' ' VAL . . . -61.15 -56.56 19.43 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.341 0.656 . . . . 4.16 109.912 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -67.77 -32.41 72.98 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 114.468 -1.242 . . . . 10.22 111.375 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.59 -47.9 83.38 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.447 1.092 . . . . 32.24 109.869 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . 0.422 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 53.8 t -57.5 -40.0 77.71 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.138 0.899 . . . . 3.39 110.936 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.642 HG23 ' SG ' ' D' ' 76' ' ' CYS . 69.1 mt -65.85 -48.32 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 115.152 -0.931 . . . . 5.37 110.651 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 12.0 m -59.69 -39.57 84.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.516 0.726 . . . . 7.06 110.754 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.3 t -63.75 -41.22 98.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.635 -1.166 . . . . 6.71 110.494 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.9 mtm -71.79 -33.53 68.65 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.016 0.526 . . . . 5.08 111.85 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' D' ' 123' ' ' PHE . 71.9 t -68.35 -41.12 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 5.65 110.614 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -70.24 -36.07 74.25 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.166 -0.47 . . . . 10.21 110.157 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.456 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 27.0 mtt180 -66.86 -27.69 67.73 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 115.458 -0.792 . . . . 6.99 110.379 172.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.99 1.91 83.57 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 118.79 -1.005 . . . . 7.43 114.048 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.534 HG23 ' H ' ' E' ' 132' ' ' SER . 86.6 m 72.16 13.29 5.79 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.26 1.024 . . . . 18.26 112.162 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' D' ' 118' ' ' VAL . 73.9 m-85 -90.83 156.43 44.64 Favored Pre-proline 0 CA--C 1.549 0.913 0 O-C-N 121.08 -1.013 . . . . 10.7 110.843 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.29 130.98 38.02 Favored 'Trans proline' 0 C--N 1.392 2.84 0 C-N-CA 122.907 2.405 . . . . 20.06 111.881 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 59.5 tt0 -47.09 122.82 4.75 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 124.596 1.185 . . . . 16.85 111.627 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 58.8 tp -113.25 93.93 4.64 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.322 -0.853 . . . . 14.84 109.736 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -99.94 108.47 20.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.466 -1.309 . . . . 76.73 107.466 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.67 143.45 48.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.12 0.486 . . . . 20.32 111.66 -168.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' E' ' 122' ' ' THR . . . -72.6 124.33 90.63 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 114.577 -1.192 . . . . 28.37 110.702 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -79.74 138.91 13.7 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.735 2.29 . . . . 32.68 113.506 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' E' ' 120' ' ' TYR . 10.0 p -136.85 149.46 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-O 121.355 0.598 . . . . 69.78 110.396 172.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.51 ' HB2' ' HB3' ' E' ' 310' ' ' PRO . 23.8 t-20 -75.48 107.46 7.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.534 1.133 . . . . 99.99 108.808 167.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.633 ' HA ' HD13 ' D' ' 136' ' ' LEU . 86.7 m-85 -70.88 -16.63 62.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.683 0.793 . . . . 99.99 112.153 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . 0.637 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 9.3 t70 -57.7 -42.45 83.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.152 0.981 . . . . 99.99 110.774 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.465 1.103 . . . . 99.99 111.66 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.633 HD13 ' HA ' ' D' ' 133' ' ' PHE . 7.1 mp -63.43 -51.28 66.39 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.127 0.571 . . . . 99.99 109.956 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.439 ' O ' HD13 ' D' ' 141' ' ' LEU . 80.2 m-85 -67.86 -32.58 73.2 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 99.99 111.858 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 39.2 ttm -53.91 -40.02 66.33 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.595 1.158 . . . . 99.99 111.006 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 143' ' ' GLN . 41.1 t30 -67.47 -52.32 40.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.786 -1.097 . . . . 99.99 110.617 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.61 -26.13 67.7 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.521 0.934 . . . . 99.99 113.521 -168.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.439 HD13 ' O ' ' D' ' 137' ' ' PHE . 6.7 mp -63.07 -43.02 99.73 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.724 0.81 . . . . 99.99 111.857 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -84.2 5.02 28.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.949 0.5 . . . . 99.99 112.33 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 139' ' ' ASN . 3.9 pt20 -143.33 48.02 1.48 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.781 0.8 . . . . 99.99 110.569 -176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . 0.482 ' HG2' ' HE1' ' E' ' 109' ' ' TYR . 8.3 tp-100 -146.76 -76.85 0.18 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 176.65 -66.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.619 1.568 . . . . 99.99 107.323 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.54 167.35 28.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.972 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.39 -50.16 8.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.399 0.68 . . . . 99.99 110.16 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' E' ' 101' ' ' PRO . . . -82.8 49.98 4.3 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.038 -0.983 . . . . 99.99 112.563 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 41.2 m -81.62 77.91 8.42 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.697 -0.853 . . . . 99.99 108.697 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.91 142.92 12.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.327 -1.306 . . . . 99.99 107.581 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -53.87 -46.17 71.22 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.935 0.894 . . . . 99.99 110.889 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 82.8 t60 77.27 -38.97 0.3 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.992 1.717 . . . . 99.99 112.777 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 60.77 74.05 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.695 1.198 . . . . 99.99 110.244 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -88.66 -59.23 2.29 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.757 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.159 0.583 . . . . 99.99 109.659 -176.562 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.077 -0.342 . . . . 99.99 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -82.27 118.39 23.09 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.866 -0.79 . . . . 99.99 108.866 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' E' ' 83' ' ' ALA . 22.0 mt-30 -114.39 160.54 19.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.975 0.91 . . . . 99.99 111.892 -173.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -77.2 177.73 7.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.233 1.013 . . . . 99.99 111.18 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -73.52 110.33 7.72 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 121.894 0.854 . . . . 99.99 110.948 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.493 HD11 ' H ' ' B' ' 129' ' ' ALA . 10.1 tp -165.68 146.26 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 C-N-CA 124.604 1.162 . . . . 99.99 108.024 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -78.53 163.11 25.83 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 110.05 -0.352 . . . . 99.99 110.05 174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt 65.11 133.35 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.88 1.272 . . . . 99.99 112.226 -174.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.4 -59.13 0.15 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.933 0.493 . . . . 99.99 110.398 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.484 HD13 ' N ' ' E' ' 11' ' ' LEU . 0.6 OUTLIER -163.3 155.78 18.3 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 -171.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' B' ' 44' ' ' LEU . 1.8 pt? -142.97 148.69 46.48 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.231 1.013 . . . . 99.99 109.365 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.03 167.88 26.15 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.304 2.003 . . . . 99.99 112.698 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.39 97.66 3.68 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.624 -0.716 . . . . 99.99 109.145 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' E' ' 24' ' ' PRO . 0.5 OUTLIER -129.96 -163.88 1.35 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.839 1.256 . . . . 99.99 109.207 177.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 75.15 114.15 0.06 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 124.113 0.965 . . . . 99.99 110.225 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -72.95 145.34 86.33 Favored Pre-proline 0 N--CA 1.489 1.494 0 CA-C-O 117.688 -1.148 . . . . 99.99 109.909 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -34.88 79.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.399 3.226 1 C-N-CA 125.52 4.146 . . . . 99.99 116.267 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.54 ' H ' ' HE2' ' B' ' 94' ' ' MET . 2.4 t 63.93 -1.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 C-N-CA 127.103 2.161 . . . . 99.99 113.327 175.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 11.8 p -91.61 -74.28 0.51 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.637 -0.665 . . . . 99.99 112.439 -166.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -137.13 94.49 2.96 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.387 0.675 . . . . 99.99 110.305 -169.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 111.19 6.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.065 0.946 . . . . 99.99 112.019 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -163.39 -66.24 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.59 -0.893 . . . . 99.99 108.59 175.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -99.22 150.95 37.19 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 123.178 0.591 . . . . 99.99 110.083 173.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.615 ' HB3' ' HA ' ' E' ' 14' ' ' LEU . 74.4 Cg_endo -79.3 159.5 26.21 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.559 2.173 . . . . 99.99 111.742 161.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 64.45 167.72 0.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.437 1.095 . . . . 99.99 112.074 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mtt -122.64 71.83 39.76 Favored Pre-proline 0 CA--C 1.558 1.267 0 C-N-CA 124.319 1.048 . . . . 99.99 108.884 169.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -36.57 0.9 Allowed 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.997 2.464 . . . . 99.99 113.114 -170.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -111.39 18.7 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 123.857 0.863 . . . . 99.99 109.634 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.29 74.78 10.36 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.512 -0.922 . . . . 99.99 108.512 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 51.29 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.948 1.699 . . . . 99.99 112.744 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -116.12 127.21 54.65 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 107.294 -1.372 . . . . 99.99 107.294 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . 0.596 ' H ' ' HD2' ' E' ' 32' ' ' ARG . 2.0 mpt_? -76.28 -26.31 55.79 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.84 0.712 . . . . 99.99 110.786 -169.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.87 43.81 17.62 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.251 1.02 . . . . 99.99 110.163 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 83.59 0.28 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.609 -1.178 . . . . 99.99 112.178 -170.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 70.17 -59.48 0.51 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.626 1.97 . . . . 99.99 112.721 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.96 -55.65 0.5 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 112.28 -0.328 . . . . 99.99 112.28 173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.82 98.34 7.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.748 0.419 . . . . 99.99 110.305 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.651 HG22 ' H ' ' E' ' 40' ' ' ALA . 2.7 mp 65.16 126.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.43 0 C-N-CA 125.51 1.524 . . . . 99.99 111.069 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -86.46 29.26 0.78 Allowed 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 123.549 0.74 . . . . 99.99 112.025 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.651 ' H ' HG22 ' E' ' 38' ' ' ILE . . . -163.61 57.83 0.65 Allowed Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 125.13 1.372 . . . . 99.99 108.331 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -94.54 -150.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.596 2.864 . . . . 99.99 113.339 -164.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' E' ' 46' ' ' ARG . . . -76.56 5.71 43.58 Favored Glycine 0 CA--C 1.535 1.336 0 CA-C-N 116.0 -0.546 . . . . 99.99 113.551 174.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.97 168.38 19.11 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 117.482 0.641 . . . . 99.99 111.599 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 65.19 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.769 1.627 . . . . 99.99 112.003 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -67.47 -36.04 80.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.31 1.044 . . . . 99.99 108.69 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' E' ' 42' ' ' GLY . 0.2 OUTLIER 65.62 56.67 0.91 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.166 1.387 . . . . 99.99 109.116 -174.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.54 -27.09 65.9 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.693 -1.14 . . . . 99.99 111.82 -174.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 14.3 m -56.28 -23.85 39.18 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.255 1.022 . . . . 99.99 112.293 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.15 85.27 1.57 Allowed Glycine 0 C--N 1.346 1.123 0 N-CA-C 110.116 -1.194 . . . . 99.99 110.116 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.26 92.78 0.12 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.706 0.765 . . . . 99.99 110.737 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.71 -16.4 26.99 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.823 -1.081 . . . . 99.99 110.29 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -77.0 -48.99 16.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.005 . . . . 99.99 113.206 -172.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.71 -56.18 3.86 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 117.669 0.213 . . . . 99.99 111.247 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 55.85 -69.89 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.912 1.383 . . . . 99.99 111.628 -169.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 43.8 tp 65.75 74.24 0.37 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.792 1.237 . . . . 99.99 109.91 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.2 mtp-105 -92.11 -171.15 2.74 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.324 -1.307 . . . . 99.99 110.277 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -72.46 -21.22 61.26 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.738 0.815 . . . . 99.99 111.468 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 17.1 m -82.06 85.87 6.68 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.781 0.833 . . . . 99.99 111.049 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -155.59 -173.96 4.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.016 0.926 . . . . 99.99 110.472 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 36.8 t -132.57 -78.57 0.5 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.54 -0.911 . . . . 99.99 108.54 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.18 80.68 0.12 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.899 1.28 . . . . 99.99 112.864 165.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.762 ' HG3' ' HA ' ' E' ' 81' ' ' THR . 46.7 mmtm -108.02 148.57 37.72 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 115.116 -0.947 . . . . 99.99 110.474 -175.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.18 76.01 0.34 Allowed 'Trans proline' 0 C--N 1.388 2.654 0 C-N-CA 123.242 2.628 . . . . 99.99 113.545 -175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' B' ' 132' ' ' ASN . . . 174.67 30.35 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.671 1.588 . . . . 99.99 109.7 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' E' ' 62' ' ' LYS . 27.6 mtpp -82.67 -78.49 0.21 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.562 0.345 . . . . 99.99 111.642 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -129.65 115.26 17.11 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.388 0.614 . . . . 99.99 112.421 -161.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' B' ' 101' ' ' TYR . 5.8 tt -110.08 110.23 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 105.675 -1.972 . . . . 99.99 105.675 153.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 tt -72.17 81.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-O 122.584 1.183 . . . . 99.99 111.329 -170.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -140.3 13.36 2.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.441 1.496 . . . . 99.99 110.122 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.56 159.9 26.68 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 117.845 0.293 . . . . 99.99 111.114 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' E' ' 312' ' ' PRO . 8.4 mt -81.01 -40.36 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 172.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.78 37.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.762 -1.335 . . . . 99.99 109.762 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -120.73 104.09 9.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.756 1.223 . . . . 99.99 110.193 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.25 139.83 5.89 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 110.643 -0.983 . . . . 99.99 110.643 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -58.27 2.57 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.38 -163.57 32.54 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.931 -0.577 . . . . 99.99 112.293 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . 0.664 ' HA ' ' HB ' ' E' ' 80' ' ' ILE . 5.9 m-20 -81.61 15.63 2.05 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.934 0.894 . . . . 99.99 111.809 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 40.2 p -66.75 -50.98 61.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.348 1.059 . . . . 99.99 111.116 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -90.64 -28.46 18.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.453 0.701 . . . . 99.99 110.173 175.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.664 ' HB ' ' HA ' ' E' ' 77' ' ' ASP . 65.5 mt -69.81 90.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.172 0.589 . . . . 99.99 109.76 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.762 ' HA ' ' HG3' ' E' ' 62' ' ' LYS . 9.9 t -141.85 128.55 20.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.682 0.793 . . . . 99.99 109.547 175.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.7 -63.2 1.35 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.483 0.713 . . . . 99.99 109.077 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' E' ' 3' ' ' GLN . . . -171.28 141.07 1.54 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.206 1.002 . . . . 99.99 109.538 176.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' D' ' 3' ' ' GLU . 0.9 OUTLIER -169.31 120.54 0.72 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 106.038 -1.838 . . . . 99.99 106.038 -174.272 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -58.64 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.346 1.058 . . . . 99.99 112.556 -166.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -148.04 19.98 1.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.755 1.222 . . . . 99.99 108.696 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 64.82 75.69 0.36 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.961 1.305 . . . . 99.99 110.602 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.62 92.36 5.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.441 1.096 . . . . 99.99 110.313 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.69 34.3 0.16 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 116.155 -0.475 . . . . 99.99 112.604 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.95 52.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.564 0.746 . . . . 99.99 110.836 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.21 120.05 8.27 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.475 0.484 . . . . 99.99 112.026 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.04 -172.3 35.65 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -90.03 92.15 8.87 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.692 -1.225 . . . . 99.99 107.692 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -122.8 144.37 49.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.475 0.71 . . . . 99.99 109.548 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.02 109.21 16.14 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.473 0.483 . . . . 99.99 109.887 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.43 -20.99 3.79 Favored Glycine 0 CA--C 1.524 0.611 0 O-C-N 123.686 0.616 . . . . 99.99 112.566 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HE3' ' D' ' 94' ' ' MET . 35.9 pt -137.91 -28.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.902 0.881 . . . . 99.99 111.162 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 76.96 -47.92 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.074 1.509 . . . . 99.99 115.074 165.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.23 -79.91 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.101 0.778 . . . . 99.99 113.101 -166.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.467 ' H ' ' HE2' ' D' ' 94' ' ' MET . 3.8 mm? 57.59 71.24 1.12 Allowed Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.183 0.993 . . . . 99.99 110.215 -167.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . 0.407 ' HB2' ' HA3' ' D' ' 148' ' ' GLY . 3.4 Cg_exo -74.78 -8.04 19.92 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.39 2.726 . . . . 99.99 113.476 -174.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.86 -28.48 67.58 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.234 1.414 . . . . 99.99 111.476 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 65.8 p -53.68 119.02 4.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.51 1.124 . . . . 99.99 111.99 -171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.59 -49.42 0.83 Allowed Glycine 0 N--CA 1.467 0.735 0 N-CA-C 110.471 -1.052 . . . . 99.99 110.471 -173.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . 0.402 ' HB2' ' OG ' ' D' ' 48' ' ' SER . 8.6 tp60 56.58 -134.22 1.33 Allowed 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.762 1.225 . . . . 99.99 111.266 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 56.66 50.07 13.37 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 123.965 0.906 . . . . 99.99 109.842 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -66.26 132.52 48.6 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 99.99 112.204 -167.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -74.45 0.81 13.45 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.098 0.959 . . . . 99.99 111.326 171.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.482 ' HE1' ' HG2' ' D' ' 144' ' ' GLN . 13.3 m-30 -55.19 -59.31 4.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.758 1.223 . . . . 99.99 111.475 173.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . 179.54 -42.87 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.965 -172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.676 HD22 ' HB2' ' D' ' 44' ' ' LEU . 25.7 mt -82.68 82.41 8.05 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.2 -170.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -144.65 84.27 1.73 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.609 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.49 -67.79 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.813 2.045 . . . . 99.99 113.135 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -122.25 -155.14 0.63 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.155 0.582 . . . . 99.99 110.231 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -69.39 85.62 0.41 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.077 0.951 . . . . 99.99 112.598 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.2 -47.23 8.46 Favored Glycine 0 C--N 1.341 0.816 0 N-CA-C 110.182 -1.167 . . . . 99.99 110.182 166.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -167.53 116.93 0.68 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 124.323 1.049 . . . . 99.99 109.507 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -87.35 111.89 0.84 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.899 2.399 . . . . 99.99 111.912 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -150.6 145.23 25.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.3 -1.0 . . . . 99.99 108.3 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' D' ' 131' ' ' VAL . 91.4 m-85 60.77 -156.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.282 1.033 . . . . 99.99 111.463 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.541 HG21 HD11 ' D' ' 44' ' ' LEU . 12.8 t 70.51 8.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 C-N-CA 125.066 1.347 . . . . 99.99 111.652 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . 10.0 t -144.06 142.02 30.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.462 1.105 . . . . 99.99 108.686 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -133.09 -57.27 0.92 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.945 0.498 . . . . 99.99 109.807 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 69.7 m -170.8 -57.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.703 1.201 . . . . 99.99 109.496 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.04 95.78 7.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.81 0.844 . . . . 99.99 112.395 -166.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -163.16 55.53 0.19 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.293 0.637 . . . . 96.83 111.726 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -171.85 140.17 1.24 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 122.78 0.432 . . . . 99.99 111.529 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -162.52 120.54 2.11 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.527 1.131 . . . . 74.48 108.279 171.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -60.63 144.64 51.41 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -164.53 138.2 5.13 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.143 0.977 . . . . 99.99 110.738 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.454 ' HZ2' HH11 ' C' ' 15' ' ' ARG . 71.3 t90 -157.67 142.54 16.65 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.54 1.136 . . . . 99.99 108.726 174.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . 0.534 ' H ' HG23 ' D' ' 122' ' ' THR . 89.4 p -97.57 147.72 24.0 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.064 0.765 . . . . 99.99 113.064 -169.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 4.6 t -99.24 105.25 17.27 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.761 0.824 . . . . 99.99 108.873 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.31 -50.52 32.33 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.576 . . . . 89.58 111.92 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.824 HG21 HD22 ' E' ' 468' ' ' LEU . 9.9 p 43.7 -135.45 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.635 1.974 . . . . 99.99 112.866 176.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.568 ' HB2' HD13 ' C' ' 13' ' ' ILE . 33.7 mtmm 81.51 116.91 0.06 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.857 1.663 . . . . 99.99 112.458 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 32.3 m -70.57 146.77 49.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.333 1.053 . . . . 99.99 109.327 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.35 119.1 8.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.129 0.571 . . . . 99.99 111.376 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.52 136.51 40.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.23 0.612 . . . . 99.99 109.95 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.418 ' H ' ' HB2' ' A' ' 132' ' ' ASN . . . -85.73 -177.09 50.28 Favored Glycine 0 CA--C 1.524 0.655 0 O-C-N 123.666 0.604 . . . . 99.99 112.138 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.815 ' H ' ' HG2' ' C' ' 143' ' ' GLN . . . -91.8 -166.97 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.05 1.34 . . . . 99.99 112.208 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.88 -66.79 0.53 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.097 -1.075 . . . . 99.99 108.097 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . 0.519 ' HA3' ' HG3' ' A' ' 138' ' ' MET . . . 163.12 144.72 4.11 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.13 0.812 . . . . 99.99 115.13 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.44 137.19 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 107.384 -1.339 . . . . 99.99 107.384 164.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.1 107.05 10.39 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 121.704 0.764 . . . . 99.99 110.505 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 pt -169.01 105.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 126.794 2.037 . . . . 99.99 106.409 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.583 ' HB3' ' HE3' ' E' ' 149' ' ' LYS . 21.8 m80 -65.17 90.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.697 0.76 . . . . 99.99 111.363 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' E' ' 148' ' ' GLU . 0.5 OUTLIER -58.7 102.49 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.314 1.845 . . . . 99.99 111.39 171.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.583 ' HE3' ' HB3' ' E' ' 147' ' ' HIS . 96.9 mttt -127.25 100.79 6.22 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.383 -0.969 . . . . 99.99 108.383 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -112.77 120.34 41.15 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.266 1.026 . . . . 99.99 109.435 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' E' ' 369' ' ' GLU . 45.2 t60 -69.65 -61.57 3.02 Favored Pre-proline 0 CA--C 1.566 1.594 0 N-CA-C 114.418 1.266 . . . . 99.99 114.418 -169.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.69 -37.68 27.48 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.549 2.166 . . . . 99.99 113.562 -162.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.3 m 59.44 48.98 9.2 Favored 'General case' 0 CA--C 1.568 1.673 0 O-C-N 124.54 1.15 . . . . 99.99 110.707 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 86.5 mt -88.77 -40.42 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 114.998 -1.001 . . . . 99.99 111.599 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.14 -5.71 40.96 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.341 0.656 . . . . 99.99 111.327 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . 0.461 ' HG3' ' HG2' ' C' ' 3' ' ' GLU . 8.9 tp10 -62.9 77.04 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 126.213 1.805 . . . . 99.99 111.509 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.656 ' SD ' ' HG2' ' C' ' 4' ' ' GLN . 39.7 ttm 57.34 -66.31 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 127.279 2.231 . . . . 99.99 116.152 173.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 83.03 37.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.174 1.79 . . . . 99.99 109.716 -173.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -67.45 -42.16 83.54 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.656 -1.156 . . . . 99.99 110.182 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.27 69.76 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.87 0.868 . . . . 99.99 111.218 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -79.25 -1.14 35.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.385 0.674 . . . . 99.99 112.229 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -134.05 73.95 0.44 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 111.333 -0.707 . . . . 99.99 111.333 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.9 -70.21 0.37 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 62.91 -74.81 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.41 1.484 . . . . 99.99 113.239 171.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.4 t -62.55 125.16 22.98 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.225 1.01 . . . . 99.99 112.008 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -103.93 10.64 52.2 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-N 115.481 -0.781 . . . . 99.99 111.536 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 64.13 -78.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.633 1.573 . . . . 99.99 110.776 -173.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 3.0 p -102.91 117.5 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 108.593 -0.891 . . . . 99.99 108.593 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 33.8 m -77.04 -45.86 25.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.641 0.777 . . . . 99.99 111.335 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . 0.616 HG23 HD21 ' E' ' 173' ' ' LEU . 91.6 m 64.6 103.41 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.44 1.096 . . . . 99.99 111.489 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -135.35 -79.8 0.43 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.733 0.413 . . . . 99.99 111.611 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.6 -59.59 4.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.56 1.144 . . . . 99.99 112.547 -169.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . 0.616 HD21 HG23 ' E' ' 170' ' ' THR . 91.5 mt 59.05 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.114 1.366 . . . . 99.99 113.231 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.513 ' H ' ' HE2' ' E' ' 404' ' ' LYS . 6.5 tp-100 -133.57 135.25 44.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.617 0.767 . . . . 99.99 111.555 -171.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -175.79 -73.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.903 1.281 . . . . 99.99 108.833 167.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -96.35 115.69 27.83 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.972 0.909 . . . . 99.99 110.394 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 40.4 p -132.54 164.39 43.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.944 1.298 . . . . 99.99 108.901 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.55 110.67 0.76 Allowed 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 122.05 1.833 . . . . 99.99 110.856 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.79 -72.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.387 0.675 . . . . 99.99 110.746 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.09 31.1 21.01 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.103 0.961 . . . . 99.99 111.364 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 53.8 tp -103.49 160.19 14.93 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.774 1.23 . . . . 99.99 110.42 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 3.6 p -78.3 103.2 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.021 0.528 . . . . 99.99 110.49 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . 0.425 ' HB1' ' HA2' ' E' ' 229' ' ' GLY . . . 179.05 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.803 1.241 . . . . 99.99 109.135 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -157.14 -73.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.458 0.303 . . . . 99.99 111.47 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 96.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 6.4 t -70.68 114.69 9.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 172.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 34.1 t -161.44 166.87 26.62 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.283 0.633 . . . . 99.99 109.557 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 65.05 12.23 7.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.833 1.253 . . . . 99.99 110.67 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . 0.554 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 20.5 pttp 34.21 -75.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 127.716 2.406 . . . . 99.99 114.691 -176.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . 0.554 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 33.6 m -86.11 20.48 2.29 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.789 1.236 . . . . 99.99 112.108 -172.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . 0.562 ' HB3' ' HD2' ' E' ' 193' ' ' PRO . 88.4 m-85 68.07 155.63 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 125.069 1.348 . . . . 99.99 112.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.65 43.77 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-N 115.548 -0.751 . . . . 99.99 112.72 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' E' ' 191' ' ' TYR . 27.5 Cg_endo -88.2 63.61 3.32 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.83 2.353 . . . . 99.99 112.243 178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 23.1 m -63.38 -43.79 96.59 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.294 0.569 . . . . 99.99 110.418 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -148.57 87.04 1.55 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.724 -1.125 . . . . 99.99 108.094 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 38.4 p -118.76 -13.55 9.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.205 1.002 . . . . 99.99 110.192 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 19.9 m -56.48 145.39 27.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.788 1.235 . . . . 99.99 112.58 -174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 65.33 86.61 0.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.301 1.441 . . . . 99.99 112.158 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 14.42 6.38 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.666 1.186 . . . . 99.99 113.754 169.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' E' ' 219' ' ' ASN . 19.9 m 67.24 143.25 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.105 1.362 . . . . 99.99 111.295 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' E' ' 218' ' ' LEU . 51.6 Cg_exo -56.15 -25.98 57.98 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.899 2.399 . . . . 99.99 113.052 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.26 74.64 2.41 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.255 -0.738 . . . . 99.99 111.255 171.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -143.83 -169.96 3.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.986 0.914 . . . . 99.99 109.541 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 66.25 -82.54 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.126 1.37 . . . . 99.99 110.59 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.2 mp -76.52 98.96 4.79 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.212 -1.033 . . . . 99.99 108.212 171.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 165.49 19.4 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.263 0.625 . . . . 99.99 110.183 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 47.1 mttp 63.52 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 125.013 1.325 . . . . 99.99 110.951 -171.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -63.65 -20.5 63.96 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.775 0.702 . . . . 99.99 113.511 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -62.78 -32.63 84.38 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 112.312 -0.315 . . . . 99.99 112.312 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' E' ' 213' ' ' ILE . 4.1 ttmp? 61.99 30.85 18.1 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.243 1.017 . . . . 99.99 110.055 174.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.54 -25.45 65.39 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 114.714 -1.13 . . . . 99.99 112.911 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . 0.633 ' HA ' HD23 ' E' ' 217' ' ' LEU . 12.9 p -78.7 -79.52 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.439 0.696 . . . . 99.99 111.2 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.42 HD11 ' HG2' ' E' ' 210' ' ' LYS . 49.6 mt 54.83 -78.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 125.49 1.516 . . . . 99.99 112.054 -172.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 9.6 t -134.5 -160.87 1.09 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.297 1.439 . . . . 99.99 108.343 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.8 -16.86 31.37 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.032 1.123 . . . . 99.99 114.032 -173.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -55.52 -55.95 25.93 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.91 0.884 . . . . 99.99 111.812 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' E' ' 212' ' ' SER . 95.1 mt 58.35 17.03 4.45 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.546 0.943 . . . . 99.99 113.546 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . 0.587 ' HB3' ' HD2' ' E' ' 201' ' ' PRO . 4.5 mm? 55.52 31.79 17.76 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 124.122 0.969 . . . . 99.99 111.326 -173.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . 0.687 ' HB2' ' SG ' ' E' ' 200' ' ' CYS . 44.8 t30 -154.25 85.69 1.15 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.273 1.029 . . . . 99.99 108.71 -174.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -138.85 122.81 17.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.811 0.444 . . . . 99.99 111.066 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 66.35 95.03 0.06 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.861 1.264 . . . . 99.99 111.898 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -94.36 97.27 10.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.527 0.731 . . . . 99.99 109.972 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 2.3 p30 48.49 20.04 0.28 Allowed 'General case' 0 N--CA 1.513 2.676 0 C-N-CA 126.214 1.805 . . . . 99.99 114.204 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.612 HG22 ' H ' ' E' ' 225' ' ' THR . 9.2 p -81.06 -149.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.572 1.803 0 C-N-CA 125.459 1.504 . . . . 99.99 108.858 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . 0.612 ' H ' HG22 ' E' ' 224' ' ' VAL . 15.1 t -24.89 149.96 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.416 1.886 . . . . 99.99 115.492 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.6 mt 85.14 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.805 2.042 . . . . 99.99 108.59 -161.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 70.66 166.05 6.19 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 115.447 -0.797 . . . . 99.99 113.024 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -88.42 70.8 2.57 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.136 -0.786 . . . . 99.99 111.136 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . 0.425 ' HA2' ' HB1' ' E' ' 183' ' ' ALA . . . -69.66 83.24 0.29 Allowed Glycine 0 C--N 1.357 1.719 0 N-CA-C 111.625 -0.59 . . . . 99.99 111.625 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -124.6 -65.34 1.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.788 0.835 . . . . 99.99 111.382 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 60.91 -80.87 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.854 1.262 . . . . 99.99 110.386 -169.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 35.4 m 55.14 78.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.443 1.097 . . . . 99.99 110.544 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' E' ' 237' ' ' ALA . 86.7 m-85 62.49 -80.65 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.035 1.334 . . . . 99.99 111.124 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 62.39 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.704 1.601 . . . . 99.99 112.354 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.7 -61.61 1.86 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 93.1 m -158.21 -39.08 0.07 Allowed 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.426 1.09 . . . . 99.99 110.361 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' E' ' 233' ' ' PHE . . . 64.52 81.37 0.21 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.473 1.509 . . . . 99.99 109.656 -161.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 45.3 p -86.38 9.04 19.2 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.517 0.727 . . . . 99.99 112.018 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -66.45 104.57 1.27 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.14 0.576 . . . . 99.99 109.742 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.99 70.46 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.452 0.47 . . . . 99.99 112.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 62.55 -103.68 0.13 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.867 1.267 . . . . 99.99 110.177 -171.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 87.0 t90 176.43 -48.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.644 1.178 . . . . 99.99 108.502 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -85.02 149.69 25.4 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.66 -0.7 . . . . 99.99 111.036 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -90.54 153.74 22.86 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.492 0.495 . . . . 99.99 112.683 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.21 68.21 9.83 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.972 0.909 . . . . 99.99 110.056 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 23.7 p -72.3 -42.79 65.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.618 -0.719 . . . . 99.99 110.379 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 2.8 mm? -61.96 -22.32 65.55 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.855 0.862 . . . . 99.99 111.977 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -50.32 -33.41 20.11 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.76 1.224 . . . . 99.99 113.801 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.98 -17.37 56.84 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.468 0.914 . . . . 99.99 113.468 -173.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 29.7 pt20 -74.44 -46.43 39.99 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.848 0.356 . . . . 99.99 110.425 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.56 35.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.36 1.064 . . . . 99.99 111.655 -172.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -53.97 -58.44 7.3 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.512 1.125 . . . . 99.99 112.226 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.31 -66.9 0.84 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.739 0.304 . . . . 99.99 110.337 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -144.61 -69.41 0.3 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.705 0.802 . . . . 99.99 109.153 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -165.91 163.64 36.89 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 115.203 -0.908 . . . . 99.99 111.135 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 62.5 t80 67.77 -82.38 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.725 1.21 . . . . 99.99 111.519 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 171.74 68.73 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 106.704 -1.591 . . . . 99.99 106.704 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 75.3 mt 63.69 171.02 0.17 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.41 1.084 . . . . 99.99 111.774 -174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 43.3 t 65.74 -70.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.415 1.486 . . . . 99.99 112.26 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 25.1 t 70.66 169.44 0.31 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.751 1.621 . . . . 99.99 110.412 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' E' ' 264' ' ' SER . 28.3 m-20 -87.57 58.58 5.0 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.004 0.521 . . . . 99.99 109.875 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.632 0.773 . . . . 99.99 111.712 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -86.85 1.18 53.32 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.53 0.732 . . . . 99.99 112.823 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . 0.638 ' HB2' ' HB3' ' E' ' 261' ' ' ASP . 42.6 t -63.41 101.94 0.37 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.453 0.701 . . . . 99.99 112.029 -175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.76 71.41 0.34 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.566 1.546 . . . . 99.99 111.603 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 66.02 -82.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.439 1.496 . . . . 99.99 110.433 -176.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . 0.544 ' HB2' ' HG2' ' E' ' 275' ' ' LYS . 49.6 m -155.93 27.98 0.37 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.124 0.57 . . . . 99.99 111.162 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.47 -5.92 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 112.006 0.372 . . . . 99.99 112.006 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 2.5 t -74.25 77.89 1.82 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.187 0.995 . . . . 99.99 111.709 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 57.69 -96.66 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.389 1.475 . . . . 99.99 114.182 164.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.43 47.35 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.153 0.581 . . . . 99.99 111.825 -171.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.52 -8.96 58.1 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.446 0.698 . . . . 99.99 111.752 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.553 HE21 ' HA ' ' E' ' 273' ' ' GLN . 0.0 OUTLIER -57.47 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.036 0.935 . . . . 99.99 112.801 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -94.85 -4.51 46.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.469 1.108 . . . . 99.99 109.189 166.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' E' ' 267' ' ' SER . 31.2 mmmt -70.2 166.95 29.07 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.383 1.473 . . . . 99.99 111.261 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -35.21 86.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.397 3.1 0 C-N-CA 125.15 3.9 . . . . 99.99 115.398 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' C' ' 86' ' ' ILE . 0.2 OUTLIER -155.2 28.78 0.4 Allowed 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 124.615 1.166 . . . . 99.99 108.423 178.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -157.75 0.41 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 106.823 -1.547 . . . . 99.99 106.823 175.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . 0.683 ' HA3' ' HA ' ' E' ' 356' ' ' ASN . . . 91.04 43.72 4.64 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 114.653 0.621 . . . . 99.99 114.653 172.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.505 ' HB2' ' HB1' ' C' ' 95' ' ' ALA . 4.2 tt -162.9 90.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.026 -0.731 . . . . 99.99 109.026 170.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.624 ' HB2' ' HB2' ' E' ' 352' ' ' ASP . 0.7 OUTLIER -163.03 169.81 18.97 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.169 1.788 . . . . 99.99 108.005 170.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . 60.5 109.21 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.675 1.19 . . . . 99.99 111.132 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 82.63 -31.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 126.267 1.827 . . . . 99.99 110.522 -165.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.85 63.33 Favored Glycine 0 C--N 1.364 2.111 0 C-N-CA 123.253 0.454 . . . . 99.99 112.532 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' C' ' 44' ' ' LEU . 11.6 p-10 -72.26 93.75 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.934 -0.765 . . . . 99.99 108.934 166.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' E' ' 287' ' ' PRO . 62.1 mtm -65.23 139.42 97.54 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.696 1.199 . . . . 99.99 111.478 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' E' ' 286' ' ' MET . 52.4 Cg_exo -56.44 126.06 21.09 Favored 'Trans proline' 0 C--N 1.386 2.507 0 C-N-CA 123.818 3.012 . . . . 99.99 114.082 -175.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 98.9 t -126.68 133.12 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.854 1.262 . . . . 99.99 110.376 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.38 164.92 11.71 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.509 0.724 . . . . 99.99 109.684 170.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.51 ' HE3' HD22 ' C' ' 42' ' ' LEU . 72.9 t-105 -76.21 144.92 40.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.081 0.552 . . . . 99.99 109.877 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' C' ' 129' ' ' ALA . 6.6 mp -80.48 -44.08 19.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.921 0.888 . . . . 99.99 111.896 -167.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.26 120.33 0.87 Allowed Glycine 0 C--N 1.343 0.921 0 CA-C-O 118.928 -0.929 . . . . 99.99 112.102 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.95 166.88 28.57 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.01 2.473 . . . . 99.99 112.139 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -156.26 172.25 18.79 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.477 0.711 . . . . 99.99 111.312 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -87.01 35.51 0.7 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.406 -1.27 . . . . 99.99 110.644 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.59 HG21 ' HB3' ' C' ' 126' ' ' LEU . 58.0 m -43.52 -46.86 7.14 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.119 1.768 . . . . 99.99 113.019 -173.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.624 ' HE1' HD11 ' E' ' 301' ' ' ILE . 6.1 t80 -74.86 89.1 2.33 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.134 -0.939 . . . . 99.99 110.875 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . 0.568 ' H ' ' HG2' ' C' ' 124' ' ' PRO . 26.9 m80 -105.01 170.32 7.93 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.747 1.219 . . . . 99.99 110.408 174.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . 0.419 ' HA2' ' HZ3' ' C' ' 36' ' ' TRP . . . -93.77 98.8 2.4 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.445 -0.798 . . . . 99.99 114.091 -171.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 75.39 0.76 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.838 -1.541 . . . . 99.99 106.838 163.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.624 HD11 ' HE1' ' E' ' 297' ' ' TYR . 34.5 mt -126.85 86.91 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-N 115.223 -0.899 . . . . 99.99 108.593 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.0 134.56 4.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.451 0.701 . . . . 99.99 110.329 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -140.28 133.4 14.96 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.394 1.078 . . . . 99.99 108.529 173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.94 -168.76 0.64 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.218 2.612 . . . . 99.99 113.613 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' D' ' 13' ' ' ILE . . . -65.43 129.71 40.73 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.927 0.891 . . . . 99.99 111.358 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.628 HG22 HG23 ' D' ' 105' ' ' ILE . 1.5 m -103.96 155.71 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.054 0.542 . . . . 99.99 110.364 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 1.9 p -85.43 111.57 20.07 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.068 -0.715 . . . . 99.99 109.068 168.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 18.5 p -87.31 164.78 16.08 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.639 0.776 . . . . 99.99 110.499 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 39.3 p -110.44 95.46 22.65 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.665 0.786 . . . . 99.99 109.572 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . 0.51 ' HB3' ' HB2' ' D' ' 132' ' ' ASN . 27.1 Cg_exo -66.02 -45.22 6.24 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.391 2.06 . . . . 99.99 112.672 174.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 9.9 t30 37.64 76.72 0.44 Allowed Pre-proline 0 N--CA 1.497 1.917 0 C-N-CA 125.546 1.538 . . . . 99.99 113.177 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' E' ' 71' ' ' ILE . 93.2 Cg_endo -79.65 -22.85 7.51 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.547 2.165 . . . . 99.99 113.224 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 58.25 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.623 1.169 . . . . 99.99 108.749 -162.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.41 62.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 104.881 -2.266 . . . . 99.99 104.881 167.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 20.0 m120 76.8 -51.53 0.57 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.176 1.791 . . . . 99.99 110.895 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 16.7 t70 73.98 -73.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.633 1.573 . . . . 99.99 111.593 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 17.6 m -63.98 140.56 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.336 0.654 . . . . 99.99 110.054 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.59 128.38 93.76 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 109.495 -0.557 . . . . 99.99 109.495 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.83 86.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.39 2.714 0 C-N-CA 122.978 2.452 . . . . 99.99 112.63 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 6.4 m 61.68 -78.36 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.403 1.481 . . . . 99.99 111.526 -174.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 tt 63.45 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.192 0 C-N-CA 125.475 1.51 . . . . 99.99 108.809 -171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -134.42 -16.47 2.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.259 0.624 . . . . 99.99 111.161 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -70.49 79.39 0.57 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.167 0.987 . . . . 99.99 110.548 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 171.68 -52.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.22 1.808 . . . . 99.99 107.198 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 7.8 t -147.44 58.31 1.14 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.522 1.153 . . . . 99.99 109.294 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -73.48 90.43 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.49 -1.232 . . . . 99.99 110.923 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.582 ' HB3' ' HB2' ' E' ' 330' ' ' GLU . 16.1 tptp 71.33 151.53 0.1 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.0 1.72 . . . . 99.99 111.419 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.6 -77.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.978 0.511 . . . . 99.99 111.901 -171.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.12 -19.97 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 112.28 0.474 . . . . 99.99 112.28 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' E' ' 327' ' ' LYS . 48.4 mm-40 -69.55 -35.81 75.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.366 0.667 . . . . 99.99 111.382 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 38.2 tp -64.87 -34.24 77.91 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.051 0.54 . . . . 99.99 110.667 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.67 -91.61 0.1 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 t 52.31 27.4 4.76 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.895 1.278 . . . . 99.99 112.939 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt 74.34 -40.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.352 1.461 . . . . 99.99 111.403 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . 0.499 HD22 ' N ' ' E' ' 335' ' ' ASN . 0.8 OUTLIER -73.48 91.22 1.77 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.324 1.05 . . . . 99.99 109.806 -176.102 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 -157.09 0.75 Allowed 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.481 1.112 . . . . 99.99 108.454 173.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 66.04 92.97 0.07 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.104 0.961 . . . . 99.99 110.321 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -81.37 68.61 3.43 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.947 -0.569 . . . . 99.99 112.201 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -136.93 -75.34 0.42 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.963 0.905 . . . . 99.99 109.952 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -126.63 77.01 1.68 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.053 0.541 . . . . 99.99 109.99 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 49.5 tp 62.43 -85.43 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.692 1.197 . . . . 99.99 112.005 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -124.38 -73.76 0.63 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.701 -1.592 . . . . 99.99 106.701 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.2 157.06 41.5 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 C-N-CA 124.679 1.191 . . . . 99.99 108.257 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.16 114.29 11.18 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.328 -0.619 . . . . 99.99 109.328 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -158.42 83.98 0.13 Allowed Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.035 -0.826 . . . . 99.99 111.035 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -82.5 -23.92 34.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.377 0.671 . . . . 99.99 110.823 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 16.2 t 62.5 31.31 17.1 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.887 1.275 . . . . 99.99 110.992 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.8 113.27 43.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 N-CA-C 108.698 -0.853 . . . . 99.99 108.698 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.2 110.98 2.38 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 107.964 -1.124 . . . . 99.99 107.964 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -82.76 44.6 0.92 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.955 0.902 . . . . 99.99 110.5 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -98.73 89.9 4.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.153 0.981 . . . . 99.99 108.581 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' E' ' 281' ' ' PHE . 3.9 p-10 -69.43 -17.6 63.66 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.249 1.02 . . . . 99.99 112.336 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -91.75 -9.01 45.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.731 0.812 . . . . 99.99 111.457 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -69.35 162.64 26.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.774 0.43 . . . . 99.99 110.862 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.38 -59.35 0.56 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.295 1.438 . . . . 99.99 111.536 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.683 ' HA ' ' HA3' ' E' ' 279' ' ' GLY . 0.1 OUTLIER 68.78 150.82 0.12 Allowed Pre-proline 0 N--CA 1.487 1.411 0 C-N-CA 125.981 1.713 . . . . 99.99 111.381 175.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' C' ' 95' ' ' ALA . 73.0 Cg_endo -76.43 44.39 1.37 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.922 2.415 . . . . 99.99 114.262 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 16.2 p -75.43 -6.6 50.9 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.366 0.666 . . . . 99.99 111.514 173.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -73.43 170.68 52.22 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 123.204 0.315 . . . . 99.99 112.714 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -156.17 144.08 19.61 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.489 -0.56 . . . . 99.99 109.489 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 11.6 tt -75.41 125.69 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-O 121.034 0.445 . . . . 99.99 110.266 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' E' ' 427' ' ' SER . . . -101.44 78.82 0.39 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.203 -0.453 . . . . 99.99 112.122 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.92 179.56 8.56 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 119.007 -0.521 . . . . 99.99 111.585 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 86.4 m 86.64 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 127.189 2.196 . . . . 99.99 111.169 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 22.8 m -131.24 171.09 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.175 0.99 . . . . 99.99 109.902 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.82 117.97 4.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.079 0.952 . . . . 99.99 112.319 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . 0.63 HD23 ' H ' ' E' ' 367' ' ' LEU . 1.7 pt? -75.88 -14.6 60.27 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.098 0.777 . . . . 99.99 113.098 -174.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.67 -20.23 61.97 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.474 0.71 . . . . 99.99 111.259 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' E' ' 151' ' ' HIS . 25.0 tt0 -53.28 -23.65 9.56 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.658 1.183 . . . . 99.99 112.155 175.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.53 38.72 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.983 0.913 . . . . 99.99 112.736 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.88 -40.09 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.13 0.972 . . . . 99.99 111.195 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -66.45 -39.99 89.16 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.078 0.551 . . . . 99.99 110.395 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -36.76 78.37 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.398 -0.819 . . . . 99.99 108.976 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.92 -30.28 69.56 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.555 0.742 . . . . 99.99 111.7 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.53 -54.89 13.84 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.275 1.03 . . . . 99.99 109.785 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -23.0 61.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.177 0.591 . . . . 99.99 112.34 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -71.63 -50.08 34.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.936 -0.394 . . . . 99.99 109.936 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.52 66.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.203 0.601 . . . . 99.99 111.869 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -36.48 83.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.259 1.024 . . . . 99.99 109.852 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -62.42 99.77 0.16 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.352 0.661 . . . . 99.99 110.849 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -142.06 -35.97 0.43 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.695 1.198 . . . . 99.99 108.512 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 86.18 -76.12 2.18 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.209 -0.905 . . . . 99.99 112.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -162.96 -30.9 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.674 0.39 . . . . 99.99 111.342 -170.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 64.0 p 67.98 -51.65 0.53 Allowed 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 126.815 2.046 . . . . 99.99 112.813 -174.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.53 73.46 0.75 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.93 0.892 . . . . 99.99 109.682 172.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 22.4 m -118.08 103.12 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-O 121.868 0.842 . . . . 99.99 109.64 -175.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 68.7 mt -126.54 98.44 4.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 17.8 m -111.7 122.93 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.454 1.101 . . . . 99.99 109.652 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 85.2 m -143.86 109.54 5.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.866 0.866 . . . . 99.99 108.808 172.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -155.84 89.22 1.15 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.076 -0.713 . . . . 99.99 109.076 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.66 119.04 19.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 99.99 109.366 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -156.13 -48.03 0.08 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.257 1.423 . . . . 99.99 108.622 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -146.68 89.18 1.81 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.374 0.67 . . . . 99.99 110.46 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -84.33 -33.38 23.9 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.019 0.528 . . . . 99.99 110.524 173.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -78.52 -62.37 1.71 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.305 0.642 . . . . 99.99 111.52 -174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 30.5 t 62.29 -75.26 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.012 1.325 . . . . 99.99 110.151 -167.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 66.42 -70.83 0.1 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.304 1.441 . . . . 99.99 112.641 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 16.6 pt 52.31 25.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 126.782 2.033 . . . . 99.99 113.501 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 45.9 t 55.39 79.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.744 1.218 . . . . 99.99 109.917 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.412 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -149.16 -46.11 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.181 0.993 . . . . 99.99 110.832 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 32.0 Cg_exo -63.15 175.5 2.5 Favored 'Trans proline' 0 C--N 1.399 3.197 0 C-N-CA 122.22 1.946 . . . . 99.99 112.765 165.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.0 -38.6 7.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.597 1.159 . . . . 99.99 112.5 172.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 26.8 m 71.03 151.05 0.1 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.884 1.274 . . . . 99.99 111.564 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.513 ' HE2' ' H ' ' E' ' 174' ' ' GLN . 0.0 OUTLIER 75.78 -63.15 0.41 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.504 1.521 . . . . 99.99 110.759 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.33 99.78 22.27 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.792 0.837 . . . . 99.99 109.849 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.02 -22.64 22.66 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.765 2.31 . . . . 99.99 111.66 170.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.24 89.79 1.62 Allowed Glycine 0 C--N 1.348 1.229 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.409 HD12 HE22 ' E' ' 410' ' ' GLN . 2.5 mm? -75.73 90.85 2.88 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.029 0.532 . . . . 99.99 109.896 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 40.1 p -70.12 -22.77 62.98 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.792 -1.095 . . . . 99.99 112.295 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . 0.409 HE22 HD12 ' E' ' 408' ' ' LEU . 20.3 pm0 -67.05 -18.91 65.56 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.252 0.621 . . . . 99.99 111.28 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -118.71 91.03 3.46 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.955 0.902 . . . . 99.99 108.577 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 57.6 tp -87.48 -67.74 0.8 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 99.99 110.687 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 75.25 -50.85 0.65 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.618 1.567 . . . . 99.99 113.501 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 75.7 p 55.21 -85.59 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.524 1.53 . . . . 99.99 111.993 -170.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.91 170.87 8.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.446 1.098 . . . . 99.99 110.521 -174.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . 0.402 ' O ' HG12 ' E' ' 419' ' ' VAL . 6.3 m-20 -96.45 -0.0 49.76 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.752 0.821 . . . . 99.99 110.812 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -66.07 80.6 0.1 Allowed Glycine 0 C--N 1.359 1.852 0 C-N-CA 123.43 0.538 . . . . 99.99 112.892 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -171.8 -38.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.333 1.453 . . . . 99.99 108.668 -175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . 0.402 HG12 ' O ' ' E' ' 416' ' ' ASP . 13.3 p -67.57 -31.7 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-N 115.12 -0.945 . . . . 99.99 110.722 176.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.7 ttp -146.95 117.72 7.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.415 1.086 . . . . 99.99 108.19 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.48 31.44 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 123.861 0.864 . . . . 99.99 109.694 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 52.3 ttm 79.63 -43.98 0.29 Allowed 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 126.224 1.81 . . . . 99.99 112.164 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 35.7 p -64.23 104.22 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.285 0.634 . . . . 99.99 110.242 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -130.24 -59.5 1.04 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.69 0.796 . . . . 99.99 109.781 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -150.42 67.09 0.35 Allowed Glycine 0 C--N 1.348 1.233 0 CA-C-N 116.207 -0.451 . . . . 99.99 112.241 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.6 -72.44 0.36 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.229 -1.026 . . . . 99.99 108.229 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' E' ' 362' ' ' GLY . 66.9 p 44.55 61.67 2.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.808 1.643 . . . . 99.99 114.616 174.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.11 49.11 1.37 Allowed 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.47 -30.38 71.41 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.532 0.733 . . . . 99.99 110.851 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.94 -34.23 74.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.588 0.755 . . . . 99.99 110.535 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 15.0 m -85.95 -23.51 26.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.726 0.81 . . . . 99.99 110.498 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -67.47 -43.51 80.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.743 0.817 . . . . 99.99 109.607 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 67.31 108.7 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.1 1.36 . . . . 99.99 111.54 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -71.16 -55.44 8.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.231 1.013 . . . . 99.99 111.337 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m 44.98 -91.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.181 1.392 . . . . 99.99 112.058 -169.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 68.75 96.18 0.05 OUTLIER Glycine 0 C--N 1.354 1.568 0 CA-C-O 119.953 -0.359 . . . . 99.99 113.378 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 55.1 p -86.27 116.97 24.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.093 0.557 . . . . 99.99 110.725 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -118.09 106.08 12.51 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.959 -0.756 . . . . 99.99 108.959 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.42 157.64 16.12 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.726 0.81 . . . . 99.99 110.493 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' E' ' 440' ' ' ARG . 23.0 ttm-85 70.36 -73.32 0.1 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.174 1.39 . . . . 99.99 111.524 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 61.8 mt 74.22 -60.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 125.619 1.567 . . . . 99.99 112.797 174.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -75.19 84.7 2.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.56 0.744 . . . . 99.99 111.492 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 61.65 -179.46 0.12 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.114 1.366 . . . . 99.99 113.313 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -102.94 -26.27 13.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.24 0.616 . . . . 99.99 110.116 169.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 34.81 -146.58 0.03 OUTLIER Glycine 0 CA--C 1.548 2.112 0 N-CA-C 116.617 1.407 . . . . 99.99 116.617 -171.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.22 141.03 50.76 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 123.586 2.857 . . . . 99.99 112.844 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . 0.867 ' HA ' ' HB ' ' A' ' 10' ' ' THR . 21.7 p80 -99.37 -35.65 9.86 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.08 0.77 . . . . 99.99 113.08 -173.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 65.1 -173.51 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.41 1.084 . . . . 99.99 112.179 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -155.21 116.9 4.07 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -153.7 -53.57 0.1 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.366 0.876 . . . . 99.99 113.366 -171.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 88' ' ' GLY . 11.9 p -109.37 147.32 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 118.226 0.466 . . . . 99.99 111.19 -170.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 12.3 p -61.76 144.39 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.944 1.298 . . . . 99.99 112.244 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 86' ' ' ILE . . . -110.7 170.56 14.02 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.614 -0.721 . . . . 99.99 112.11 174.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 98' ' ' LEU . 40.0 tp 61.89 95.13 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.351 1.46 . . . . 99.99 111.84 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 26.4 m -76.37 -65.35 0.94 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 108.919 -0.771 . . . . 99.99 108.919 172.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -143.82 163.79 32.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.754 1.221 . . . . 99.99 108.428 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -92.1 107.41 19.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.169 -1.049 . . . . 99.99 108.169 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 19.9 m -68.21 136.73 54.03 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.215 0.606 . . . . 99.99 110.174 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.81 156.57 35.19 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.974 0.51 . . . . 99.99 110.231 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 45' ' ' ASP . 3.6 mm? -84.74 174.41 9.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.767 0.794 . . . . 99.99 112.059 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -104.44 -172.47 2.11 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.247 -1.342 . . . . 99.99 109.763 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -56.12 147.87 19.32 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.316 1.046 . . . . 99.99 113.66 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 67.9 p -104.3 138.38 40.82 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.018 -1.104 . . . . 99.99 108.018 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.06 159.82 37.72 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.2 0.6 . . . . 99.99 110.859 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 42.0 mtmt -122.85 112.06 17.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 170.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -111.54 102.27 10.62 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -74.88 117.39 16.67 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.919 -1.141 . . . . 99.99 107.919 170.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.824 HD22 HG21 ' E' ' 135' ' ' VAL . 14.7 mt -78.38 -4.16 46.78 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.524 0.73 . . . . 99.99 111.624 -170.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 98.16 -55.53 1.11 Allowed Glycine 0 C--N 1.346 1.107 0 N-CA-C 110.684 -0.967 . . . . 99.99 110.684 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.593 ' HG ' ' HD2' ' A' ' 38' ' ' PRO . 2.6 mm? 57.6 13.82 2.09 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.438 1.095 . . . . 99.99 111.799 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.248 0.988 0 N-CA-C 108.234 -1.024 . . . . 99.99 108.234 -169.489 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 108.753 -0.832 . . . . 99.99 108.753 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' N ' ' SD ' ' A' ' 1' ' ' MET . 13.3 t -87.91 -171.18 3.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.925 0.89 . . . . 99.99 111.7 -172.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 70.85 0.16 3.25 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.361 1.464 . . . . 99.99 112.349 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -81.34 -26.48 35.54 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.863 0.865 . . . . 99.99 110.681 -178.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.574 ' HB3' ' HB ' ' E' ' 441' ' ' ILE . 69.3 m-20 60.76 -131.66 0.79 Allowed 'General case' 0 CA--C 1.559 1.294 0 O-C-N 124.34 1.025 . . . . 99.99 110.687 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 67.48 -102.26 0.06 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.808 1.243 . . . . 99.99 110.536 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.488 HG22 ' HB ' ' E' ' 451' ' ' VAL . 99.0 m -155.15 129.31 8.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.585 0.354 . . . . 99.99 110.665 -168.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' E' ' 447' ' ' HIS . 39.2 mt-10 -131.42 8.07 4.59 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.379 1.071 . . . . 99.99 109.84 165.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.651 ' HG3' ' HB ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -90.1 156.89 18.05 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 118.229 -0.891 . . . . 99.99 108.754 -175.156 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 10.8 m -138.52 122.81 18.2 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 119.607 1.094 . . . . 99.99 111.421 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' E' ' 452' ' ' VAL . 52.0 t80 -97.15 153.14 18.16 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.715 . . . . 99.99 111.863 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -169.35 127.75 0.98 Allowed 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.287 0.992 . . . . 99.99 110.036 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -78.98 123.61 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 109.178 -0.675 . . . . 63.61 109.178 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -100.77 -32.14 10.84 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.113 0.565 . . . . 99.99 111.049 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -172.57 141.18 1.11 Allowed 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.375 0.422 . . . . 87.02 110.451 -171.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.98 135.76 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.048 -1.093 . . . . 27.8 108.048 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 29.0 p90 -166.88 168.21 14.23 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.27 0.982 . . . . 37.37 110.34 -169.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -93.32 119.44 32.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.65 -0.87 . . . . 12.57 108.65 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 29.4 mtpt -84.36 -40.83 17.4 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.65 -0.5 . . . . 37.56 109.65 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -142.7 147.55 35.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.059 -0.973 . . . . 38.09 110.098 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 90.2 mt -143.88 146.18 21.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 125.922 1.689 . . . . 5.43 106.876 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.6 t -157.84 138.32 12.83 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.195 0.598 . . . . 6.92 109.569 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 71.6 t80 -144.14 126.54 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.985 -1.487 . . . . 5.61 106.985 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.54 126.09 39.65 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.57 -0.9 . . . . 36.27 108.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.88 89.35 41.91 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 124.388 1.075 . . . . 12.68 109.344 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.15 -30.45 38.08 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.69 2.26 . . . . 32.78 111.369 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.709 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.15 14.44 20.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.345 -0.843 . . . . 80.05 112.314 -176.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.59 96.2 Favored Pre-proline 0 CA--C 1.57 1.742 0 N-CA-C 114.162 1.171 . . . . 31.49 114.162 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HG2' HG23 ' A' ' 31' ' ' VAL . 92.3 Cg_endo -80.88 -133.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.385 2.499 0 CA-C-N 121.872 1.704 . . . . 44.68 113.302 176.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 11.3 m170 -63.96 -10.15 19.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.388 1.475 . . . . 99.99 112.937 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 22.0 t -66.5 -28.21 42.68 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 C-N-CA 122.975 0.51 . . . . 99.99 110.793 -175.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 27' ' ' ASN . 25.8 t80 -78.15 -7.93 57.65 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.821 0.448 . . . . 99.99 111.423 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -75.41 -12.07 60.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.758 0.823 . . . . 99.99 112.378 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' NZ ' ' HG2' ' A' ' 71' ' ' GLU . 51.9 mtmt -66.15 162.33 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.399 0.679 . . . . 99.99 110.112 171.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.79 115.26 7.93 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.612 -0.884 . . . . 99.99 108.612 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' CH2' HD11 ' E' ' 470' ' ' LEU . 24.2 t90 -88.6 100.46 13.11 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 115.299 -0.864 . . . . 99.99 110.502 -169.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -112.91 83.59 6.08 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 124.127 0.971 . . . . 99.99 109.031 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HG3' HD13 ' E' ' 470' ' ' LEU . 95.6 Cg_endo -80.57 130.14 7.71 Favored 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.448 2.099 . . . . 57.34 112.933 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -96.9 88.0 4.43 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 106.933 -1.506 . . . . 99.99 106.933 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.48 95.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.025 -0.989 . . . . 48.36 110.206 -174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 11.5 tmtt? -89.47 136.94 32.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.644 -1.243 . . . . 99.99 107.644 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 128' ' ' LEU . 76.4 mt -127.5 149.64 50.03 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.961 0.904 . . . . 97.85 109.491 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.1 t70 -146.8 138.91 24.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.893 -0.781 . . . . 85.15 108.893 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD23 HD21 ' A' ' 60' ' ' LEU . 6.1 mp -125.89 141.73 51.84 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 169.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -144.71 132.59 21.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.26 -0.882 . . . . 78.84 109.415 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 98' ' ' LEU . 89.8 m -106.13 139.29 40.89 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.925 0.393 . . . . 43.33 110.929 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.33 110.2 10.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.988 0.915 . . . . 41.53 108.715 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -89.68 151.98 21.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 88.8 109.927 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.5 t -155.7 121.41 4.99 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.785 0.834 . . . . 73.87 109.007 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' NE2' HD11 ' E' ' 181' ' ' LEU . 27.7 tt0 -71.05 130.02 40.47 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.471 -0.566 . . . . 99.99 109.471 172.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.61 -31.36 12.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.042 0.537 . . . . 99.99 109.846 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.78 178.24 7.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.078 -0.964 . . . . 99.99 110.309 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.91 121.53 13.18 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.811 -1.086 . . . . 99.99 108.776 172.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 3.2 m-20 66.93 26.65 9.13 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.164 0.915 . . . . 99.99 110.545 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -137.16 108.68 6.3 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -110.26 153.5 24.75 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.962 -0.755 . . . . 99.99 108.962 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -130.14 132.79 46.23 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.599 -1.63 . . . . 57.04 106.599 172.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 102' ' ' CYS . 16.5 m -122.8 135.99 61.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.019 -0.734 . . . . 54.22 109.019 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.89 131.23 62.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.22 -0.9 . . . . 29.36 109.352 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD21 HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.14 108.1 20.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.951 -1.129 . . . . 19.86 107.951 174.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -95.34 101.8 13.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.706 -1.22 . . . . 99.99 107.706 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' HB ' HD11 ' A' ' 114' ' ' ILE . 13.3 t -94.19 128.67 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.271 -1.011 . . . . 13.6 108.271 174.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.454 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 24.7 m -115.15 134.02 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.697 -0.853 . . . . 17.22 108.697 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.63 107.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.148 -1.427 . . . . 14.92 107.148 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.2 m -119.77 145.23 46.77 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.391 -0.966 . . . . 21.43 108.391 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.62 121.53 14.53 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.894 -1.15 . . . . 23.61 107.894 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -124.89 135.45 52.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.232 0.613 . . . . 57.75 110.046 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.634 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.49 85.32 2.08 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.408 -1.33 . . . . 99.99 107.408 171.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -117.6 4.45 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-N 115.169 -0.923 . . . . 93.1 111.904 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -89.18 -22.98 22.54 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.088 0.555 . . . . 99.99 110.129 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 7.6 tp10 -84.52 133.97 34.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.068 0.947 . . . . 99.99 110.746 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -89.38 132.42 34.98 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.694 -0.484 . . . . 30.12 109.694 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.32 -67.04 0.51 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 22.88 109.393 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.01 163.09 39.56 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.849 -1.523 . . . . 30.01 110.123 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 tp -142.22 138.3 31.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.263 -1.014 . . . . 14.44 108.263 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.3 137.92 30.95 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.044 0.938 . . . . 14.43 108.629 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 33.8 tt0 -147.9 125.65 11.88 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.653 -0.499 . . . . 35.14 109.653 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.78 114.22 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 123.83 0.852 . . . . 9.47 109.292 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.747 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 40.7 mt-30 -84.79 83.76 7.93 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.651 -0.87 . . . . 43.33 108.651 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -79.24 104.91 10.19 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.923 0.889 . . . . 15.31 109.185 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.85 162.01 14.84 Favored Glycine 0 C--O 1.242 0.624 0 CA-C-O 121.228 0.349 . . . . 20.02 112.752 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.95 126.88 2.14 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.202 -0.759 . . . . 41.88 111.202 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.08 127.87 39.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.723 -0.843 . . . . 66.87 108.723 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -134.02 118.75 18.16 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.784 -0.821 . . . . 77.52 108.784 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.4 m -78.41 119.66 22.05 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.083 0.553 . . . . 99.99 109.525 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 9' ' ' MET . 8.6 tp -101.98 164.2 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 176.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -144.9 134.36 23.18 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.592 -0.693 . . . . 99.99 109.905 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.86 -41.41 2.13 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.942 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 9' ' ' MET . 5.0 mp -149.6 146.8 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -143.46 176.06 9.46 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 107.727 -1.212 . . . . 99.99 107.727 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.78 -144.45 35.26 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-O 120.19 -0.228 . . . . 99.99 113.553 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.5 p -60.07 -33.51 72.18 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.438 1.273 . . . . 99.99 114.438 -167.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.451 ' HB2' HG21 ' A' ' 89' ' ' ILE . 28.2 mm-40 -68.21 -36.99 80.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.011 0.524 . . . . 99.99 111.213 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.455 ' SD ' ' HG2' ' A' ' 9' ' ' MET . 0.8 OUTLIER -86.09 -21.21 27.79 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.973 0.509 . . . . 99.99 112.212 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 98' ' ' LEU . . . -61.78 -16.89 53.46 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.403 1.26 . . . . 99.99 114.403 -167.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HA ' ' SD ' ' A' ' 138' ' ' MET . 6.4 p80 -63.3 -28.6 70.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.536 0.607 . . . . 99.99 111.257 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.761 ' SG ' HD22 ' E' ' 454' ' ' LEU . 38.7 t -80.26 -39.61 28.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.805 0.842 . . . . 99.99 111.214 171.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 95' ' ' ALA . 6.7 mp -69.79 -18.54 63.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.623 0.769 . . . . 99.99 110.449 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.7 5.76 54.4 Favored Glycine 0 C--O 1.211 -1.335 0 CA-C-O 119.394 -0.67 . . . . 99.99 112.267 173.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.71 -79.54 0.42 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.26 1.03 . . . . 95.56 112.375 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 56.9 t80 -65.09 -56.15 14.66 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 112.086 0.402 . . . . 94.48 112.086 -175.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.648 ' HB3' HG21 ' A' ' 58' ' ' VAL . 85.9 m -52.62 -45.36 96.28 Favored Pre-proline 0 CA--C 1.565 1.555 0 O-C-N 124.213 0.945 . . . . 73.2 113.46 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 -42.34 12.54 Favored 'Trans proline' 0 C--N 1.387 2.593 0 C-N-CA 121.733 1.622 . . . . 48.9 112.693 170.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' A' ' 132' ' ' ASN . 27.5 t-20 -65.7 -32.21 73.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.608 0.363 . . . . 94.19 111.921 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tp -77.83 -18.2 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.164 0.507 . . . . 55.88 110.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.1 mt -80.8 -15.82 55.4 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.339 1.055 . . . . 21.71 111.143 172.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.15 -42.05 65.77 Favored Pre-proline 0 CA--C 1.556 1.209 0 CA-C-O 117.504 -1.236 . . . . 15.39 113.938 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -46.49 -39.37 22.35 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.452 2.101 . . . . 9.95 113.998 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.98 -43.3 22.25 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.537 0.735 . . . . 20.66 111.813 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.56 93.23 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.71 0.404 . . . . 7.34 110.431 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.56 HH12 HD12 ' C' ' 105' ' ' ILE . 36.5 ttm180 -53.36 -50.63 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.424 1.49 . . . . 15.45 110.411 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.33 -48.54 80.84 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.451 1.094 . . . . 46.26 110.8 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.12 -46.2 85.98 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.889 0.743 . . . . 4.41 111.019 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.484 HD11 ' HB ' ' A' ' 62' ' ' VAL . 90.5 mt -60.04 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.242 1.017 . . . . 7.34 110.148 176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -52.58 -47.75 66.68 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.247 1.019 . . . . 7.28 111.659 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -64.42 -43.12 95.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.85 -1.068 . . . . 4.96 110.011 -177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.409 ' SD ' HG23 ' A' ' 21' ' ' ILE . 22.6 mtp -59.87 -41.35 91.33 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.727 0.811 . . . . 48.88 111.419 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 114' ' ' ILE . 84.0 t -63.18 -48.21 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.562 0.745 . . . . 26.6 110.279 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.5 p -67.79 -29.33 68.48 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.065 0.546 . . . . 17.97 111.838 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -69.44 -28.1 65.82 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.447 0.699 . . . . 8.38 110.409 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.05 13.51 54.03 Favored Glycine 0 C--N 1.358 1.761 0 O-C-N 123.532 0.52 . . . . 6.18 113.503 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.467 HG21 ' HE ' ' B' ' 15' ' ' ARG . 37.4 m 69.36 11.86 8.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.823 1.249 . . . . 20.1 111.414 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -86.27 157.98 55.66 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.814 -0.809 . . . . 13.71 108.814 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.03 156.96 55.69 Favored 'Trans proline' 0 C--N 1.369 1.633 0 C-N-CA 122.118 1.879 . . . . 20.05 112.543 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.68 117.61 17.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.356 -0.838 . . . . 39.31 110.84 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.09 121.84 42.45 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.289 0.635 . . . . 56.76 109.466 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -109.12 107.75 18.16 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.981 -0.748 . . . . 38.41 108.981 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.48 130.4 40.57 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.513 0.725 . . . . 62.97 110.178 -173.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.7 155.44 69.87 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.542 0.737 . . . . 56.46 111.45 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.93 115.31 2.74 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.34 2.027 . . . . 77.42 111.119 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.599 ' HA ' ' HB3' ' E' ' 460' ' ' LEU . 19.0 m -134.43 120.03 31.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.229 1.012 . . . . 99.99 108.684 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 135' ' ' ALA . 2.4 t-20 -108.69 79.65 1.26 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.97 0.908 . . . . 99.99 110.717 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 7.9 m-30 -67.38 -25.27 65.88 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.204 0.526 . . . . 99.99 111.408 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.24 -36.35 77.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.068 -1.423 . . . . 99.99 111.204 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.449 ' HB2' ' OD1' ' A' ' 132' ' ' ASN . . . -65.91 -29.8 70.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.711 0.804 . . . . 99.99 112.084 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' E' ' 462' ' ' TYR . 3.0 tm? -76.59 -29.6 56.63 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.639 -0.504 . . . . 99.99 109.639 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -65.89 -43.02 89.51 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.383 -0.599 . . . . 99.99 109.383 170.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 96' ' ' HIS . 34.3 tpp -68.21 -26.13 65.57 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.328 -0.851 . . . . 99.99 110.636 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 143' ' ' GLN . 3.3 t-20 -66.09 -44.0 85.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.139 0.976 . . . . 99.99 109.162 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.24 -30.87 71.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.421 -1.263 . . . . 99.99 111.212 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.98 -53.16 61.11 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.687 0.617 . . . . 99.99 111.486 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -158.13 10.38 0.17 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 113.356 0.872 . . . . 99.99 113.356 -172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 139' ' ' ASN . 83.8 mm-40 -104.85 37.34 2.18 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 123.022 0.529 . . . . 99.99 110.929 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -77.88 71.02 4.33 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.992 1.377 . . . . 99.99 110.543 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' E' ' 435' ' ' THR . . . -136.88 -165.9 1.82 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.448 -1.251 . . . . 99.99 109.571 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.7 74.75 0.58 Allowed Glycine 0 C--N 1.348 1.242 0 O-C-N 123.363 0.415 . . . . 99.99 112.363 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -167.37 -52.18 0.02 OUTLIER 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.449 1.099 . . . . 99.99 108.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.71 158.31 53.45 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.136 -0.938 . . . . 99.99 112.641 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 153' ' ' GLN . 9.8 t -69.16 166.95 17.19 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.556 0.743 . . . . 99.99 111.217 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -76.58 71.42 3.2 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.648 0.779 . . . . 99.99 111.191 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 55.41 13.14 0.85 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.565 1.546 . . . . 99.99 114.779 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -154.18 127.5 8.49 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.084 -1.45 . . . . 99.99 107.084 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 149' ' ' THR . 18.0 mp0 -73.07 80.13 1.23 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.908 0.755 . . . . 99.99 109.462 -175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t70 64.96 -70.94 0.08 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.77 1.628 . . . . 99.99 111.203 -172.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 123.955 0.902 . . . . 99.99 109.009 176.138 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.527 ' N ' ' HB3' ' B' ' 8' ' ' GLU . 22.1 ptm . . . . . 0 C--O 1.245 0.85 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.556 ' H ' HG13 ' E' ' 68' ' ' ILE . 32.6 t 72.38 170.34 0.32 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.95 1.3 . . . . 99.99 111.232 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 -23.44 33.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.121 0.568 . . . . 99.99 109.879 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -70.54 99.54 1.65 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.242 -0.89 . . . . 99.99 110.597 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 71.43 -70.66 0.15 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.606 1.562 . . . . 99.99 112.278 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -79.4 85.41 5.2 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.272 0.629 . . . . 99.99 110.197 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.5 m -56.88 -63.73 1.11 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.068 -1.086 . . . . 99.99 108.068 169.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.527 ' HB3' ' N ' ' B' ' 1' ' ' MET . 37.3 tt0 55.78 94.94 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 O-C-N 125.036 1.46 . . . . 99.99 112.075 162.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.464 ' SD ' HG13 ' B' ' 89' ' ' ILE . 12.3 tpt 66.71 169.42 0.24 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.262 1.025 . . . . 99.99 111.379 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -133.47 139.73 46.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.736 0.814 . . . . 99.99 109.141 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.528 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 34.6 t80 -148.93 112.1 4.93 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 108.506 -0.924 . . . . 93.55 108.506 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.462 ' HB3' ' OG ' ' B' ' 85' ' ' SER . 24.8 tp60 -134.28 112.78 11.32 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.408 HD11 HD13 ' B' ' 105' ' ' ILE . 46.9 mt -76.08 100.04 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.624 -1.25 . . . . 40.88 107.624 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.478 HE22 HG13 ' B' ' 55' ' ' VAL . 51.5 mt-30 -81.14 -32.68 33.62 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.512 0.725 . . . . 85.25 111.097 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.467 ' HE ' HG21 ' A' ' 122' ' ' THR . 45.9 ttt180 -171.71 148.87 2.47 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 123.626 0.579 . . . . 95.33 111.064 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.27 144.31 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.67 1.188 . . . . 13.6 108.387 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -166.43 152.77 8.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.939 0.496 . . . . 23.1 111.799 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.9 m -84.22 126.4 33.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.717 0.807 . . . . 6.51 109.02 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -95.86 -31.85 12.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.99 0.516 . . . . 19.94 111.878 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.96 137.71 16.14 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.35 0.407 . . . . 37.8 110.599 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 43.7 mm -133.35 146.66 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.792 1.237 . . . . 5.14 107.814 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 30.5 t -155.84 145.42 21.06 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.842 0.857 . . . . 19.25 109.139 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.562 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 86.7 t80 -150.32 133.27 16.07 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.874 -1.158 . . . . 9.84 107.874 174.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -138.54 124.43 19.94 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.188 -1.042 . . . . 50.65 108.188 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.67 87.06 16.78 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.757 -1.201 . . . . 18.09 107.757 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.3 -20.48 62.04 Favored 'Trans proline' 0 C--N 1.381 2.25 0 C-N-CA 123.284 2.656 . . . . 31.77 112.569 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.45 ' O ' HG13 ' B' ' 31' ' ' VAL . 53.1 m-80 -125.61 28.69 6.16 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.739 0.815 . . . . 49.39 110.725 177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -45.58 -53.78 17.97 Favored Pre-proline 0 N--CA 1.503 2.188 0 N-CA-C 113.654 0.983 . . . . 51.5 113.654 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 75.6 Cg_endo -85.99 -2.27 8.8 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 122.133 1.888 . . . . 70.98 113.674 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -97.32 -27.2 14.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.819 0.848 . . . . 99.99 111.65 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG13 ' O ' ' B' ' 27' ' ' ASN . 13.7 m -73.45 11.03 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 114.585 1.328 . . . . 99.99 114.585 -171.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -63.25 -36.21 82.9 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 119.137 0.881 . . . . 99.99 111.4 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.607 ' HG3' ' HG2' ' B' ' 34' ' ' LYS . 10.0 pt20 -66.83 -25.82 66.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.775 -1.102 . . . . 99.99 111.45 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 32.7 mmtp -108.71 92.15 3.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.729 0.812 . . . . 98.87 110.627 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.28 90.4 3.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.726 0.411 . . . . 99.99 110.816 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 38.9 p90 -169.41 -179.46 3.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.875 0.87 . . . . 99.99 110.67 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -80.7 112.0 27.95 Favored Pre-proline 0 CA--C 1.562 1.438 0 C-N-CA 123.278 0.631 . . . . 99.99 109.784 172.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.44 173.41 11.62 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 122.976 2.451 . . . . 63.52 114.943 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 111.5 11.37 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.532 -1.213 . . . . 99.99 108.516 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 126' ' ' LEU . 93.8 t -104.98 133.57 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 123.377 0.671 . . . . 72.1 110.706 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.37 143.34 49.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.62 1.568 . . . . 99.99 106.81 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tt -114.11 133.99 55.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.575 -1.639 . . . . 96.73 106.575 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.659 ' HA ' ' HA ' ' E' ' 384' ' ' THR . 8.6 m-20 -126.72 123.27 37.11 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.863 1.265 . . . . 92.63 107.719 -169.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.598 HD23 HD21 ' B' ' 60' ' ' LEU . 5.1 mp -106.57 133.9 50.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.588 0.355 . . . . 67.27 110.872 -172.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB2' ' HB ' ' E' ' 387' ' ' ILE . 11.5 t70 -123.73 140.07 53.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.562 1.145 . . . . 58.71 108.281 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.1 p -108.82 117.66 34.77 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.98 -0.748 . . . . 66.97 108.98 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.09 29.94 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.807 0.843 . . . . 35.64 109.299 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.7 t -143.11 161.67 37.58 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.713 -0.477 . . . . 74.75 109.713 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -151.85 141.99 22.27 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 123.062 0.545 . . . . 43.74 109.687 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.23 105.77 12.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.18 0.592 . . . . 89.61 109.425 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' B' ' 57' ' ' GLU . 56.9 mt -75.37 -43.21 51.52 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.781 -0.645 . . . . 71.01 109.761 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -173.26 3.62 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.176 -0.92 . . . . 85.91 110.514 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.37 113.87 3.91 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.198 -1.365 . . . . 99.99 109.002 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 68.21 0.69 2.55 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.027 1.331 . . . . 99.99 113.286 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.478 HG13 HE22 ' B' ' 14' ' ' GLN . 72.6 t -109.09 115.64 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 108.143 -1.058 . . . . 76.71 108.143 175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -133.73 144.4 49.07 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.729 -0.471 . . . . 98.07 109.729 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.6 tt0 -100.47 108.1 19.98 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.301 1.04 . . . . 46.84 108.533 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 98' ' ' LEU . 48.6 t -103.95 118.28 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.889 -1.152 . . . . 57.34 107.889 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.432 ' CG1' ' HG2' ' B' ' 79' ' ' GLN . 22.6 t -119.36 131.26 72.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 124.502 1.121 . . . . 21.57 108.605 -174.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.598 HD21 HD23 ' B' ' 44' ' ' LEU . 31.6 tp -116.23 122.07 43.93 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.327 -0.99 . . . . 62.33 108.327 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.684 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 51.5 ttm-85 -86.54 119.57 26.94 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.436 -0.802 . . . . 95.32 109.515 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -105.22 102.02 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 124.985 1.314 . . . . 14.84 108.075 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 47.0 m -109.8 116.04 30.95 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.144 0.977 . . . . 28.15 108.729 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.71 125.68 54.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.108 0.48 . . . . 18.14 110.067 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 62.8 m -106.69 144.33 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 123.52 0.728 . . . . 24.35 109.2 171.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.66 28.66 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.119 0.568 . . . . 26.44 109.761 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 15.2 m -139.87 128.22 22.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.017 0.527 . . . . 56.64 111.031 -176.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 34' ' ' LYS . 64.2 mt -100.93 100.43 11.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.289 1.035 . . . . 62.67 109.188 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.98 -125.52 6.98 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-O 119.643 -0.532 . . . . 81.37 111.822 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.99 1.53 57.26 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.283 0.633 . . . . 99.99 112.27 -175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -129.65 159.48 36.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.443 0.697 . . . . 99.99 109.675 -170.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 50.5 m -74.0 133.07 42.95 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.149 0.5 . . . . 33.32 110.133 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.13 -62.89 1.45 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 108.283 -1.006 . . . . 25.99 108.283 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -154.23 161.82 41.58 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.557 -1.202 . . . . 18.76 110.702 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 78.3 mt -131.47 117.63 19.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 106.461 -1.681 . . . . 16.93 106.461 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.7 t -118.27 150.23 39.8 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.729 -0.841 . . . . 12.76 108.729 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 41.8 tt0 -157.03 125.84 5.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 122.784 0.434 . . . . 30.38 109.955 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' B' ' 110' ' ' ALA . 64.9 t -131.46 139.44 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 124.214 1.006 . . . . 8.91 108.511 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.53 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 4.0 tt0 -121.02 88.11 2.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.09 -1.448 . . . . 33.15 107.09 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.591 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.5 tp-100 -87.18 120.01 28.01 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.939 -0.573 . . . . 11.26 109.662 -174.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.9 156.06 15.89 Favored Glycine 0 C--N 1.337 0.585 0 O-C-N 123.829 0.706 . . . . 11.78 112.27 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.64 137.67 6.7 Favored Glycine 0 C--O 1.242 0.628 0 N-CA-C 110.683 -0.967 . . . . 23.01 110.683 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 79.4 mt -84.54 126.01 40.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.551 -0.907 . . . . 39.34 108.551 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -132.0 133.72 44.78 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.155 -1.054 . . . . 63.88 108.155 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' ' HB3' ' B' ' 12' ' ' GLN . 6.1 p -94.04 91.03 6.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.468 -1.308 . . . . 82.93 107.468 167.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.4 HG13 HG11 ' E' ' 18' ' ' VAL . 24.2 pt -133.96 110.52 14.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-N 114.975 -1.011 . . . . 98.2 110.329 -169.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.07 174.44 15.21 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.4 -0.818 . . . . 99.99 111.227 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.82 -51.3 0.71 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.661 -0.699 . . . . 99.99 111.524 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.464 HG13 ' SD ' ' B' ' 9' ' ' MET . 2.8 pp -89.7 169.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.807 0.443 . . . . 99.99 111.723 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.53 176.29 12.22 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.736 0.814 . . . . 99.99 111.135 -173.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.92 -122.98 23.25 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 115.382 0.913 . . . . 99.99 115.382 169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -76.07 -43.81 41.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.534 0.734 . . . . 99.99 111.592 -173.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.29 -19.64 63.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.106 0.562 . . . . 99.99 111.224 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.529 ' HE1' HD11 ' B' ' 98' ' ' LEU . 1.5 tmt? -62.79 -51.91 65.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.965 0.906 . . . . 99.99 110.274 169.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.33 -30.67 71.71 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.685 -0.689 . . . . 99.99 111.115 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -72.15 -30.35 64.93 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.711 0.404 . . . . 99.99 110.742 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -75.25 -63.6 1.24 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.133 0.573 . . . . 99.99 110.952 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' B' ' 102' ' ' CYS . 2.6 pp -97.56 -20.19 17.86 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.961 0.726 . . . . 71.23 112.961 -170.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.405 ' N ' HD12 ' B' ' 98' ' ' LEU . . . -91.23 -25.34 24.32 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 123.324 0.39 . . . . 59.87 112.553 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' B' ' 134' ' ' ASP . . . -112.26 -51.05 2.87 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.103 0.561 . . . . 71.19 111.967 -175.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.482 ' HE2' HD11 ' B' ' 105' ' ' ILE . 57.4 t80 -77.36 -57.55 3.76 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.154 0.182 . . . . 99.99 111.327 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' B' ' 98' ' ' LEU . 64.7 m -55.89 -39.38 77.04 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 114.792 1.405 . . . . 50.37 114.792 -171.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -47.6 -33.14 17.5 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.593 2.195 . . . . 36.29 114.735 172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.653 ' HB2' HD21 ' B' ' 132' ' ' ASN . 47.7 t-20 -64.91 -37.86 89.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.763 0.665 . . . . 87.59 111.044 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.482 HD11 ' HE2' ' B' ' 101' ' ' TYR . 46.6 mt -66.83 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.297 0.639 . . . . 37.19 109.947 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.04 -10.2 51.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.914 -1.039 . . . . 13.07 111.919 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.51 -54.19 54.64 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.145 0.978 . . . . 99.99 112.292 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.508 ' HB2' ' HG3' ' D' ' 112' ' ' GLU . 37.1 Cg_endo -63.05 -31.18 76.35 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 122.127 1.885 . . . . 10.37 113.439 -176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -69.6 -48.13 61.18 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.606 0.762 . . . . 12.29 110.904 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -69.06 -30.69 69.07 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.323 -0.399 . . . . 8.75 110.962 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -62.58 -49.67 74.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.83 1.252 . . . . 59.14 111.302 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.86 -38.74 92.05 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 123.785 0.678 . . . . 51.9 109.527 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 m -59.17 -53.32 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.926 0.89 . . . . 13.3 111.579 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.663 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 52.8 mt -58.9 -52.99 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 123.541 0.736 . . . . 9.86 110.625 -177.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 7.4 m -64.05 -29.84 70.96 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 123.753 0.658 . . . . 13.13 111.156 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.3 t -68.13 -47.71 67.38 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.093 0.557 . . . . 8.02 109.938 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.99 81.63 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.29 0.636 . . . . 26.78 110.858 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 114' ' ' ILE . 90.5 t -60.88 -50.09 81.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.395 0.678 . . . . 13.3 110.382 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -73.41 -24.83 60.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.295 0.638 . . . . 29.79 112.121 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 92.3 mtt-85 -67.72 -35.89 79.6 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.036 0.535 . . . . 11.55 110.133 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.11 8.97 56.31 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 123.736 0.648 . . . . 16.97 112.629 171.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 31.3 p 58.1 34.36 24.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.802 2.041 . . . . 23.15 112.813 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.88 162.19 31.58 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.918 0.887 . . . . 23.84 109.563 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.78 177.68 3.31 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.66 2.24 . . . . 29.89 112.969 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.611 ' HB3' ' HA ' ' C' ' 124' ' ' PRO . 4.8 pm0 -56.43 139.64 48.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.345 1.058 . . . . 99.99 112.706 -176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.429 HD11 HG11 ' B' ' 40' ' ' VAL . 29.1 tp -153.47 84.46 1.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 72.13 109.518 170.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.99 135.63 41.13 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.099 -0.955 . . . . 73.04 109.63 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.62 HD11 HD12 ' B' ' 114' ' ' ILE . 74.6 mt -71.17 149.88 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.959 0.504 . . . . 90.81 111.446 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.42 138.07 41.8 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.149 0.579 . . . . 43.15 109.785 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.4 77.05 2.58 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.402 2.735 . . . . 61.27 112.562 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.485 HG23 ' HA3' ' E' ' 76' ' ' GLY . 2.1 p -121.06 140.31 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.373 0.669 . . . . 99.57 111.221 -174.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' B' ' 104' ' ' ASN . 14.5 m120 -111.87 115.16 28.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.82 1.248 . . . . 99.99 108.616 165.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' B' ' 136' ' ' LEU . 34.8 p90 -67.07 -4.49 10.06 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.216 1.006 . . . . 99.99 112.862 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.536 ' HB2' ' HB1' ' B' ' 100' ' ' ALA . 36.7 t70 -52.7 -49.13 65.94 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.805 1.242 . . . . 99.99 113.485 -175.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' E' ' 76' ' ' GLY . . . -62.85 -22.75 66.91 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.312 0.645 . . . . 99.99 112.311 -173.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' B' ' 133' ' ' PHE . 41.5 tp -53.88 -42.45 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.366 1.066 . . . . 99.99 111.048 174.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -71.38 -20.14 62.18 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.371 0.668 . . . . 99.99 112.263 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -36.28 20.93 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.299 0.64 . . . . 99.99 109.561 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.68 -17.93 32.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.161 0.984 . . . . 99.99 111.681 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -66.44 -15.01 63.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.467 1.107 . . . . 99.99 111.289 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.95 35.49 0.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.518 1.127 . . . . 99.99 111.019 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 59.63 35.06 22.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.346 1.058 . . . . 99.99 109.675 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 61.58 89.13 0.08 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.163 -1.38 . . . . 99.99 110.166 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.97 -24.93 66.11 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.66 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.29 -13.61 61.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.327 1.051 . . . . 99.99 112.179 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 174.27 78.23 0.05 OUTLIER Glycine 0 C--N 1.339 0.733 0 N-CA-C 110.88 -0.888 . . . . 99.99 110.88 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.38 94.27 0.26 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.547 -0.908 . . . . 99.99 108.547 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.1 -56.23 21.79 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.604 -0.725 . . . . 99.99 112.234 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 56.0 m 60.94 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.359 1.019 0 C-N-CA 124.812 1.245 . . . . 99.99 110.416 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.73 20.36 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.206 1.002 . . . . 99.99 110.477 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.89 -37.12 78.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.726 0.81 . . . . 99.99 110.685 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 69.43 -177.58 0.21 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.712 1.205 . . . . 99.99 109.806 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 80.92 -53.01 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.467 1.507 . . . . 99.99 110.357 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 45.99 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.031 1.732 . . . . 99.99 113.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.586 -0.894 . . . . 99.99 108.586 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 111.048 0.018 . . . . 99.99 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -151.34 12.57 0.64 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.798 0.439 . . . . 99.99 111.389 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.8 116.39 16.46 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 62.35 8.31 2.71 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.002 0.921 . . . . 99.99 112.204 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -85.15 71.49 10.88 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.602 0.761 . . . . 99.99 110.05 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -125.7 -10.02 6.74 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.219 -0.9 . . . . 99.99 110.038 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p 50.88 77.52 0.13 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.95 1.7 . . . . 99.99 112.545 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.44 137.32 53.99 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.538 0.735 . . . . 99.99 109.815 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' C' ' 97' ' ' CYS . 26.7 ttt 64.3 126.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.426 1.49 . . . . 99.99 113.472 176.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.2 m -120.2 96.2 5.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.256 0.622 . . . . 99.99 109.87 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -115.44 159.03 21.67 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.565 -1.272 . . . . 99.99 107.565 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' E' ' 138' ' ' TYR . 46.9 tt0 -137.24 141.82 42.03 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.179 0.445 . . . . 99.99 111.306 -172.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.51 137.83 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 123.643 0.589 . . . . 56.3 109.701 170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.658 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 27.5 mm-40 -112.71 -49.36 2.95 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.914 -0.773 . . . . 93.16 108.914 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -172.85 165.67 5.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.957 -1.02 . . . . 99.99 110.089 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.424 HG23 HD22 ' C' ' 106' ' ' LEU . 70.4 mt -139.68 137.33 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 105.896 -1.89 . . . . 11.74 105.896 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -170.92 164.98 7.75 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.768 0.794 . . . . 19.28 111.748 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 78.7 p -85.14 109.68 18.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.345 -1.298 . . . . 6.91 108.639 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -74.73 -43.6 54.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.302 -0.999 . . . . 21.95 108.302 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 17.8 t70 -134.44 144.01 47.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 114.347 -1.297 . . . . 50.62 109.544 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.612 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.6 mt -140.04 147.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.863 1.665 . . . . 5.12 106.815 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.3 t -153.64 151.3 29.54 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.679 0.792 . . . . 9.28 109.473 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 85.7 t80 -154.6 111.41 3.31 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 106.736 -1.579 . . . . 8.82 106.736 172.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 36.5 mt-10 -116.9 116.24 27.04 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.308 -0.997 . . . . 30.58 108.308 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.49 81.62 5.48 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 108.63 -0.878 . . . . 12.04 108.63 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' E' ' 361' ' ' ILE . 56.0 Cg_endo -68.79 -39.89 7.88 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.772 2.315 . . . . 30.41 111.537 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -101.56 35.34 2.32 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.768 0.827 . . . . 61.38 109.821 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' C' ' 29' ' ' PRO . . . -52.68 -53.04 58.53 Favored Pre-proline 0 CA--C 1.558 1.27 0 CA-C-O 118.643 -0.694 . . . . 26.66 111.863 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.9 Cg_exo -83.52 -26.76 2.0 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 121.769 1.646 . . . . 35.22 112.565 175.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -69.31 -31.39 69.82 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.576 0.75 . . . . 48.75 112.34 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.18 -16.09 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.008 0.523 . . . . 55.24 111.154 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' E' ' 301' ' ' ILE . 18.6 m-30 -60.45 -11.04 5.75 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.682 0.993 . . . . 99.99 113.682 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' E' ' 366' ' ' ASP . 10.7 pt20 -117.48 23.4 11.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.798 0.839 . . . . 97.11 111.767 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -114.86 164.37 14.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 111.966 0.358 . . . . 88.6 111.966 -166.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -70.98 130.16 40.86 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.389 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -84.49 64.55 8.48 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.415 0.626 . . . . 99.99 110.596 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -156.45 77.94 4.19 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 107.496 -1.298 . . . . 99.99 107.496 174.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 5.3 Cg_exo -75.87 140.39 23.1 Favored 'Trans proline' 0 C--N 1.367 1.5 0 C-N-CA 122.432 2.088 . . . . 68.93 110.09 167.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -84.43 99.64 10.8 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.844 -1.539 . . . . 99.99 106.844 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' C' ' 65' ' ' THR . 5.0 m -77.98 122.78 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.51 -0.768 . . . . 87.15 110.962 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.92 146.63 38.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.555 1.142 . . . . 99.99 108.349 170.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.401 ' HG ' ' NE1' ' E' ' 290' ' ' TRP . 96.9 mt -101.06 151.16 22.14 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.239 0.542 . . . . 94.05 110.048 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.684 ' HB3' ' HB ' ' C' ' 63' ' ' THR . 15.8 t70 -135.61 117.01 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.748 1.219 . . . . 99.99 107.791 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' C' ' 61' ' ' ARG . 10.2 tt -126.23 133.23 51.55 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.695 -0.854 . . . . 71.87 108.695 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -122.49 146.61 47.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.054 0.942 . . . . 92.17 108.891 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -115.03 138.41 50.9 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.618 0.767 . . . . 62.96 109.468 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.55 150.68 32.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.82 0.848 . . . . 35.73 110.585 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.9 p -154.78 144.17 21.27 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.945 0.898 . . . . 56.22 109.645 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -153.61 144.03 22.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.113 0.565 . . . . 43.42 110.203 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.57 117.76 23.35 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.604 HD11 HD12 ' C' ' 83' ' ' ILE . 54.2 mt -84.52 -55.38 4.17 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.213 1.005 . . . . 61.44 110.279 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.27 -167.84 2.33 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.131 -0.941 . . . . 94.06 109.354 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.72 100.07 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.56 0.744 . . . . 99.99 110.679 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 67.7 7.13 5.46 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.529 1.532 . . . . 99.99 112.634 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.7 t -93.5 99.24 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 107.005 -1.48 . . . . 81.86 107.005 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -103.17 165.82 10.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.367 0.667 . . . . 99.99 110.198 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.1 tt0 -126.28 138.06 53.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.471 -1.24 . . . . 35.21 109.334 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.54 123.77 69.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.588 -1.264 . . . . 29.6 107.588 171.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 67.8 t -118.03 133.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.677 0.791 . . . . 20.9 109.201 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.544 HD23 HD12 ' C' ' 106' ' ' LEU . 3.5 mm? -122.43 121.38 36.49 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.443 -0.947 . . . . 69.19 108.443 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' C' ' 44' ' ' LEU . 20.4 ttm180 -81.32 131.92 35.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.91 116.02 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 107.568 -1.271 . . . . 14.53 107.568 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.684 ' HB ' ' HB3' ' C' ' 43' ' ' ASP . 26.1 m -131.18 118.68 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.289 -0.634 . . . . 20.42 109.289 -175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.558 HG23 HD13 ' C' ' 114' ' ' ILE . 47.9 t -102.69 110.93 30.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.115 -1.068 . . . . 17.7 108.115 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.449 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -100.03 137.3 38.67 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.356 -0.838 . . . . 29.53 109.344 176.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -127.57 111.98 14.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.044 -1.095 . . . . 32.22 108.044 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -148.11 126.97 12.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.191 0.307 . . . . 59.66 110.465 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.58 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.4 OUTLIER -91.59 59.7 3.85 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 108.622 -0.881 . . . . 97.29 108.622 173.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.31 -117.85 5.87 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 114.972 -1.013 . . . . 76.35 111.575 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.67 -22.72 23.27 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.51 0.724 . . . . 99.99 109.873 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -71.74 99.61 2.18 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.136 0.974 . . . . 77.02 109.554 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 39.3 m -85.61 119.31 25.81 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.671 -0.492 . . . . 37.0 109.671 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -55.14 8.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.443 1.097 . . . . 34.06 109.583 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -169.64 177.77 4.4 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.172 -0.922 . . . . 39.96 110.192 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.449 HD23 HG23 ' C' ' 65' ' ' THR . 2.4 tm? -141.2 143.86 34.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 107.231 -1.396 . . . . 16.54 107.231 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 41.9 t -147.06 140.23 25.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.703 -0.851 . . . . 10.97 108.703 172.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.554 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 31.8 tt0 -144.45 140.27 28.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.737 0.815 . . . . 36.61 109.779 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' C' ' 110' ' ' ALA . 52.5 t -143.3 112.79 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.086 -1.079 . . . . 9.25 108.086 178.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 67.3 mt-30 -91.35 93.39 9.02 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.175 -1.046 . . . . 25.23 108.175 173.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.1 tp-100 -82.11 108.09 15.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.889 -1.05 . . . . 10.64 110.179 -175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.09 146.52 18.18 Favored Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.774 -0.648 . . . . 10.6 112.005 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.75 125.44 2.61 Favored Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 110.702 -0.959 . . . . 19.17 110.702 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' C' ' 14' ' ' GLN . 14.4 mm -89.13 124.6 41.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.172 -0.677 . . . . 30.38 109.172 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' GLN . 54.5 m-85 -130.89 118.13 20.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.377 0.671 . . . . 49.62 109.56 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -82.33 110.85 17.86 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.385 -0.968 . . . . 92.15 108.385 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.06 127.89 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.035 0.534 . . . . 99.99 110.612 -160.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.74 -172.53 4.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.886 0.874 . . . . 99.99 109.85 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.69 36.29 91.07 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 123.351 0.501 . . . . 99.99 112.894 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.487 ' HB ' ' HG2' ' C' ' 94' ' ' MET . 0.2 OUTLIER -75.53 109.79 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.708 0.766 . . . . 99.99 112.429 -167.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.494 ' H ' ' HB3' ' C' ' 94' ' ' MET . 58.7 mm-40 -108.46 69.8 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.566 0.747 . . . . 99.99 110.947 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.9 -110.84 1.05 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 114.988 0.755 . . . . 99.99 114.988 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 13.4 m -74.41 -29.61 61.59 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.909 0.884 . . . . 99.99 111.47 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.422 HE22 ' HE2' ' C' ' 140' ' ' TYR . 5.9 tp60 -68.92 -46.52 68.07 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 99.99 111.957 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.494 ' HB3' ' H ' ' C' ' 90' ' ' GLU . 3.9 ppp? -59.53 -32.62 70.48 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.343 0.592 . . . . 99.99 111.411 177.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.42 68.58 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.856 -1.066 . . . . 99.99 112.324 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -72.46 -53.87 10.92 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.714 . . . . 99.99 110.617 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.617 ' HB2' ' SD ' ' C' ' 9' ' ' MET . 38.7 m -62.78 -37.17 85.6 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.398 0.679 . . . . 99.99 111.643 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.53 -44.95 56.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.32 -11.33 85.44 Favored Glycine 0 C--N 1.345 1.071 0 O-C-N 123.543 0.527 . . . . 68.51 114.324 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' C' ' 134' ' ' ASP . . . -117.39 -73.88 0.63 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.37 0.668 . . . . 56.52 110.796 -175.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -56.71 -51.28 69.42 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.697 0.799 . . . . 99.99 112.535 -171.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 59.1 m -56.96 -51.89 78.21 Favored Pre-proline 0 CA--C 1.577 1.993 0 CA-C-O 118.535 -0.745 . . . . 56.59 112.628 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 87.7 Cg_exo -53.45 -46.02 36.8 Favored 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 122.785 2.323 . . . . 39.21 114.958 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . 0.621 HD21 ' HB2' ' C' ' 133' ' ' PHE . 25.9 m-80 -64.1 -30.11 71.2 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.391 0.677 . . . . 71.72 112.21 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.56 HD12 HH12 ' A' ' 111' ' ' ARG . 12.0 mm -68.69 -36.18 73.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.427 0.691 . . . . 8.71 111.765 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.544 HD12 HD23 ' C' ' 60' ' ' LEU . 55.4 mt -77.36 -28.21 52.89 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.921 -0.581 . . . . 37.06 111.261 -174.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -54.18 -50.22 85.77 Favored Pre-proline 0 CA--C 1.569 1.678 0 N-CA-C 114.184 1.179 . . . . 16.74 114.184 -173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.4 -39.36 82.01 Favored 'Trans proline' 0 C--N 1.385 2.453 0 C-N-CA 122.363 2.042 . . . . 9.85 113.858 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -67.21 -41.8 85.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.774 0.829 . . . . 5.88 111.389 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -67.61 -38.82 84.52 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.778 -0.646 . . . . 7.64 110.916 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -55.74 -54.32 45.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.503 1.121 . . . . 20.64 111.415 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.3 tm-20 -65.12 -36.33 83.95 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.46 0.475 . . . . 38.86 110.172 -176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 35.4 t -66.57 -33.19 75.13 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 123.238 0.336 . . . . 13.9 111.678 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.558 HD13 HG23 ' C' ' 64' ' ' VAL . 60.6 mt -69.5 -52.01 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.209 0.603 . . . . 8.58 110.112 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.0 m -61.41 -32.03 71.97 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.196 0.599 . . . . 8.54 110.973 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 34.4 t -64.7 -46.65 81.44 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.058 0.943 . . . . 6.56 109.632 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.486 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.65 -36.41 80.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.091 0.956 . . . . 5.22 111.461 177.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 81.8 t -63.67 -41.36 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 123.533 0.521 . . . . 28.53 109.652 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -69.15 -29.29 67.28 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.807 0.843 . . . . 17.6 111.957 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 116' ' ' SER . 82.6 mtt-85 -74.33 -35.81 63.63 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.225 0.61 . . . . 7.72 109.947 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.7 60.09 Favored Glycine 0 C--N 1.358 1.789 0 O-C-N 123.794 0.684 . . . . 10.8 112.448 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 17.3 p 58.01 25.18 11.96 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 127.083 2.153 . . . . 15.17 112.608 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -92.06 154.13 43.33 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.385 1.074 . . . . 24.81 109.913 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 125' ' ' GLN . 76.3 Cg_exo -54.1 132.68 51.5 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 124.23 3.287 . . . . 29.42 115.562 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.488 ' H ' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -60.86 138.26 58.15 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.941 1.296 . . . . 72.03 112.798 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 63.9 tp -140.48 115.24 9.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.586 -0.894 . . . . 59.85 108.586 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -96.48 133.62 40.7 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.171 0.589 . . . . 41.85 110.251 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.52 132.23 42.64 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.945 -0.761 . . . . 38.57 108.945 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.49 161.71 67.91 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.034 0.934 . . . . 24.62 111.439 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.26 94.6 0.1 OUTLIER 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.484 2.123 . . . . 24.48 112.366 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.79 108.26 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.529 -1.285 . . . . 68.05 107.529 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.71 97.18 7.01 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.904 0.882 . . . . 99.99 109.682 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' C' ' 104' ' ' ASN . 44.5 m-85 -70.64 -32.81 70.26 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.561 0.745 . . . . 99.99 109.142 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.546 ' HA ' ' HB1' ' C' ' 100' ' ' ALA . 23.7 t70 -64.89 -34.4 78.3 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 114.535 -1.211 . . . . 99.99 111.366 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.478 0.711 . . . . 99.99 111.787 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.82 -48.94 78.29 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.376 1.048 . . . . 99.99 109.849 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -75.26 -32.23 61.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.401 -0.818 . . . . 99.99 111.372 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 54.5 ttm -57.65 -30.17 65.18 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.585 1.154 . . . . 99.99 112.008 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -58.6 -31.62 68.24 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.273 1.029 . . . . 99.99 112.901 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . 0.422 ' HE2' HE22 ' C' ' 93' ' ' GLN . 1.1 p90 -28.27 -76.98 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 126.665 1.986 . . . . 99.99 115.251 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.66 149.11 36.23 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.65 0.78 . . . . 99.99 112.756 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -93.79 -52.91 4.23 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.062 -0.972 . . . . 99.99 108.919 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 68.19 -73.3 0.09 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.238 1.415 . . . . 99.99 111.583 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 76.02 -64.23 0.36 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.979 1.712 . . . . 99.99 111.267 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.76 104.06 2.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.695 0.798 . . . . 99.99 110.329 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 176.38 -52.57 0.11 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.635 -0.586 . . . . 99.99 111.635 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -143.99 145.85 32.5 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.442 -0.947 . . . . 99.99 108.442 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 152.62 -93.53 0.14 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 110.449 -1.061 . . . . 99.99 110.449 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 20.3 m -141.33 165.55 27.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.394 -1.336 . . . . 99.99 107.394 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 72.25 61.39 0.13 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.194 0.997 . . . . 99.99 109.119 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.13 -52.47 48.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.849 -1.523 . . . . 99.99 108.983 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -174.35 41.81 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.845 1.258 . . . . 99.99 108.507 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -87.54 -6.25 58.42 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.223 -0.899 . . . . 99.99 110.092 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.58 -1.76 35.64 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.101 1.36 . . . . 99.99 111.601 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.316 0 C-N-CA 123.823 0.849 . . . . 99.99 110.495 176.59 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.016 -0.735 . . . . 99.99 109.016 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t 59.71 91.06 0.05 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.047 1.339 . . . . 99.99 112.016 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.11 -68.24 0.94 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.99 -1.115 . . . . 99.99 107.99 172.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -159.96 -170.65 2.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.159 0.583 . . . . 99.99 109.647 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 75.96 104.24 0.07 Allowed 'General case' 0 C--N 1.359 0.998 0 C-N-CA 125.111 1.364 . . . . 99.99 109.839 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . 0.618 ' HB2' ' HA2' ' D' ' 88' ' ' GLY . 17.5 m120 58.41 -159.95 0.27 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.534 1.133 . . . . 99.99 111.069 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 89.8 m -143.01 -32.94 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.035 0.934 . . . . 99.99 109.308 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -114.43 105.41 13.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.205 1.002 . . . . 99.99 109.284 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 24.4 ttt -34.92 131.64 0.37 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.828 1.251 . . . . 99.99 114.275 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -106.72 135.47 48.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.154 0.982 . . . . 99.99 108.403 169.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.419 ' HD2' HG22 ' D' ' 86' ' ' ILE . 74.3 t80 -133.66 98.75 4.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.938 -1.134 . . . . 76.43 107.938 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -114.35 114.03 25.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.109 0.563 . . . . 99.99 109.928 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.678 HD13 HG21 ' D' ' 105' ' ' ILE . 22.3 mt -76.07 118.06 21.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.567 -1.272 . . . . 41.34 107.567 174.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' E' ' 304' ' ' PRO . 75.7 mt-30 -80.51 -53.13 6.86 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.399 0.437 . . . . 79.46 110.888 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -172.27 128.3 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.001 -0.37 . . . . 99.99 110.001 -168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.519 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -119.75 137.11 54.69 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 N-CA-C 108.373 -0.973 . . . . 53.22 108.373 176.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.468 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 38.1 p90 -157.93 161.49 38.22 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.837 0.855 . . . . 19.87 109.902 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -77.15 112.16 13.53 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.929 -0.767 . . . . 8.43 108.929 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -81.43 -25.91 35.79 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.824 -0.625 . . . . 36.9 110.285 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' C' ' 23' ' ' PHE . 14.2 t70 -155.99 143.74 19.57 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.063 0.852 . . . . 36.68 109.454 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.486 HG21 ' HE2' ' C' ' 117' ' ' MET . 57.9 mt -137.78 147.07 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.739 1.216 . . . . 4.02 108.123 176.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 42.6 t -154.11 108.98 3.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.985 0.914 . . . . 7.64 109.903 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.612 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.8 t80 -111.04 124.15 51.61 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.284 -1.376 . . . . 5.08 107.284 169.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -132.71 113.04 12.51 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 123.967 0.907 . . . . 28.73 108.871 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -105.27 92.87 6.04 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 108.433 -0.951 . . . . 7.19 108.433 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -67.81 -40.91 8.83 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.274 2.649 . . . . 13.41 113.032 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.404 ' O ' HG22 ' D' ' 31' ' ' VAL . 17.0 m-80 -116.94 41.78 2.65 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.009 -0.737 . . . . 11.97 109.009 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -50.49 -65.59 0.86 Allowed Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 113.745 1.017 . . . . 12.01 113.745 -170.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 86.6 Cg_endo -73.37 -9.49 23.09 Favored 'Trans proline' 0 C--N 1.383 2.343 0 CA-C-N 121.871 1.704 . . . . 20.55 113.063 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -83.11 -40.8 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.448 1.499 . . . . 22.26 110.36 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 27' ' ' ASN . 29.0 m -87.27 -9.83 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 113.187 0.81 . . . . 34.6 113.187 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.497 ' HB3' ' NE1' ' E' ' 131' ' ' TRP . 15.8 m-30 -65.66 -16.42 63.73 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.822 1.045 . . . . 32.96 113.822 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -76.86 -3.95 41.18 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.123 0.569 . . . . 99.99 110.878 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -102.51 110.0 21.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.153 1.381 . . . . 31.63 109.575 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -101.82 77.12 1.69 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.664 0.786 . . . . 99.99 110.976 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -159.66 176.89 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.799 -0.637 . . . . 49.29 109.887 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . 0.553 HE21 ' HD2' ' D' ' 38' ' ' PRO . 33.2 tp60 -72.82 117.64 61.29 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.415 0.686 . . . . 99.99 109.548 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.553 ' HD2' HE21 ' D' ' 37' ' ' GLN . 75.5 Cg_exo -52.23 122.66 11.05 Favored 'Trans proline' 0 C--N 1.386 2.531 0 C-N-CA 122.851 2.367 . . . . 31.29 111.884 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.78 111.38 2.76 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.869 0.731 . . . . 99.99 109.062 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' D' ' 66' ' ' ALA . 27.3 m -103.95 127.52 58.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.722 0.773 . . . . 52.79 110.712 -172.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 29.2 ttmt -88.08 131.97 34.47 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 107.377 -1.342 . . . . 99.99 107.377 167.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.64 109.37 21.64 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.206 -1.405 . . . . 74.77 107.206 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.518 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 13.2 t70 -116.57 113.13 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.409 -1.33 . . . . 99.99 107.409 -175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.26 144.06 41.03 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.01 0.433 . . . . 66.01 110.114 -175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' D' ' 61' ' ' ARG . 17.3 m-20 -131.05 130.68 43.55 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.014 -1.106 . . . . 79.72 108.014 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.5 HG21 ' HB ' ' E' ' 107' ' ' THR . 44.9 p -105.21 141.68 36.31 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.44 -0.8 . . . . 77.52 109.369 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.17 157.36 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.185 0.994 . . . . 38.8 108.751 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -169.36 168.88 9.37 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 122.617 0.367 . . . . 48.36 111.01 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 87.5 p -152.16 141.72 21.73 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.186 0.595 . . . . 52.73 110.032 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.05 117.91 30.29 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.933 -1.136 . . . . 99.71 107.933 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.517 HD13 HG21 ' E' ' 365' ' ' VAL . 0.7 OUTLIER -133.98 24.88 3.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.289 1.035 . . . . 82.32 108.766 -178.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.02 158.99 10.86 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.829 -1.078 . . . . 96.95 110.204 -173.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -95.67 125.3 40.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.364 0.666 . . . . 99.99 109.277 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.19 10.51 7.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 124.481 1.113 . . . . 99.99 111.774 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -140.3 138.73 36.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 106.768 -1.567 . . . . 82.8 106.768 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -146.24 135.84 23.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.608 -0.515 . . . . 99.99 109.608 -167.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -90.83 126.39 36.01 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 123.788 0.68 . . . . 55.89 109.831 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.53 131.45 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 107.991 -1.114 . . . . 44.56 107.991 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.34 111.96 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.923 0.889 . . . . 19.48 108.711 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.13 111.61 23.95 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.681 -1.229 . . . . 52.2 107.681 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' D' ' 45' ' ' ASP . 32.1 ttm180 -87.0 119.94 27.73 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.254 -0.647 . . . . 99.99 109.254 172.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.88 131.0 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 107.897 -1.149 . . . . 9.25 107.897 165.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 3.7 m -124.69 148.59 47.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 10.79 108.13 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 42.6 t -134.55 103.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 125.305 1.442 . . . . 9.72 107.696 -170.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 17.4 m -92.78 91.91 7.69 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.157 -1.423 . . . . 19.36 107.157 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.501 ' HB2' HG12 ' D' ' 40' ' ' VAL . . . -97.74 137.05 37.21 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.41 0.684 . . . . 11.33 109.819 -175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.497 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 42.0 m -142.25 132.75 25.19 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.732 0.645 . . . . 29.87 110.862 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 36.0 mt -93.5 96.65 10.02 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 106.936 -1.505 . . . . 24.97 106.936 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.62 -136.9 20.86 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.814 -0.63 . . . . 27.84 111.701 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.97 3.76 52.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.181 0.592 . . . . 76.3 111.174 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -114.05 135.44 54.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.046 0.939 . . . . 81.89 108.682 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -68.41 129.05 38.78 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.065 0.46 . . . . 11.35 110.635 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.497 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -82.26 -59.03 2.69 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.656 -1.156 . . . . 10.67 107.92 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.11 150.96 17.16 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.331 -1.304 . . . . 7.73 110.549 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.93 110.73 21.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.701 1.6 . . . . 11.05 107.475 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' D' ' 114' ' ' ILE . 37.4 t -115.19 144.59 43.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.552 0.741 . . . . 12.97 109.185 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -154.48 138.78 16.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.49 0.716 . . . . 47.96 109.557 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -141.91 115.14 4.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 124.179 0.992 . . . . 5.05 108.805 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -89.58 91.38 8.66 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.912 -0.773 . . . . 21.68 108.912 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -84.27 119.4 25.01 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.571 -0.9 . . . . 8.01 108.571 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.96 144.85 15.43 Favored Glycine 0 C--O 1.239 0.445 0 N-CA-C 111.697 -0.561 . . . . 11.29 111.697 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . 0.459 ' HA3' HG22 ' D' ' 16' ' ' ILE . . . -142.0 152.04 23.29 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 112.213 -0.355 . . . . 22.6 112.213 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.53 115.98 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 107.493 -1.299 . . . . 43.57 107.493 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.61 132.83 56.45 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.584 0.753 . . . . 45.01 110.312 -174.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 7.0 m -101.73 129.36 47.89 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.916 0.886 . . . . 77.58 109.613 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.449 HG13 HD11 ' E' ' 97' ' ' ILE . 45.9 pt -134.72 130.73 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.77 0.828 . . . . 88.57 110.138 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -151.4 168.25 25.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.46 0.704 . . . . 99.99 109.47 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . 0.618 ' HA2' ' HB2' ' D' ' 6' ' ' ASN . . . 85.49 10.8 76.26 Favored Glycine 0 N--CA 1.469 0.836 0 O-C-N 123.179 0.299 . . . . 99.99 112.9 -175.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.2 pp -141.63 168.22 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.677 1.191 . . . . 99.99 110.928 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.6 -178.63 5.92 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.91 1.284 . . . . 99.99 109.233 173.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.76 -128.32 20.43 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.991 -0.338 . . . . 99.99 113.306 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 27.7 m -86.71 -42.75 13.12 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 117.226 0.513 . . . . 99.99 111.134 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -58.83 -26.2 63.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.816 0.847 . . . . 99.99 112.591 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.545 ' HB2' HD13 ' D' ' 89' ' ' ILE . 23.2 ptt? -64.97 -55.51 18.63 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 121.053 0.454 . . . . 99.99 111.125 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.71 -10.24 57.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.126 0.97 . . . . 88.9 111.523 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.21 -49.78 68.63 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.174 0.59 . . . . 99.99 110.627 171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 99.8 m -58.73 -30.88 67.8 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.096 0.558 . . . . 95.17 111.962 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.635 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 46.5 mt -75.15 -42.72 55.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.08 0.952 . . . . 99.99 110.806 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' E' ' 102' ' ' LEU . . . -94.15 16.51 60.81 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.573 -0.74 . . . . 66.02 113.885 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' D' ' 134' ' ' ASP . . . -149.89 -67.76 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.237 0.518 . . . . 54.11 111.198 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 38.5 t80 -76.05 -30.17 58.31 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.936 0.717 . . . . 40.76 112.936 -175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.635 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 92.7 m -65.23 -47.4 71.32 Favored Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 118.408 -0.806 . . . . 34.31 112.816 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.76 -28.77 88.06 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.878 1.719 . . . . 28.69 113.628 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 7.5 m-20 -55.1 -47.46 74.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.017 0.527 . . . . 61.29 110.617 172.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.678 HG21 HD13 ' D' ' 13' ' ' ILE . 51.2 mm -66.69 -37.03 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.159 0.983 . . . . 19.65 110.978 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.74 -33.18 68.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.336 -0.847 . . . . 13.09 111.505 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -61.19 -44.67 94.4 Favored Pre-proline 0 CA--C 1.568 1.657 0 N-CA-C 114.28 1.215 . . . . 10.47 114.28 -170.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.84 -42.44 66.44 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.519 2.146 . . . . 6.22 114.343 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -80.49 -29.02 37.35 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.35 0.66 . . . . 10.48 111.57 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . 0.415 ' O ' HG13 ' D' ' 114' ' ' ILE . . . -65.32 -48.49 72.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.298 -0.63 . . . . 4.16 109.298 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 37.2 ttp180 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.347 -1.297 . . . . 10.22 111.288 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' HB2' ' B' ' 108' ' ' PRO . 3.7 tm-20 -56.27 -48.73 76.01 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.133 0.896 . . . . 32.24 109.658 -177.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.23 -43.58 87.82 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.391 -0.822 . . . . 3.39 111.406 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' D' ' 76' ' ' CYS . 72.2 mt -58.38 -56.54 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.386 0.675 . . . . 5.37 109.716 176.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 67.1 m -51.6 -47.71 63.48 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.29 1.436 . . . . 7.06 111.632 -173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -68.47 -41.87 79.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.588 -1.187 . . . . 6.71 110.427 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' D' ' 23' ' ' PHE . 73.9 mtm -63.67 -36.93 85.47 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.995 0.518 . . . . 5.08 111.591 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.5 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.5 t -62.05 -47.1 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 115.403 -0.817 . . . . 5.65 110.306 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 76.8 p -69.14 -30.42 68.66 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.604 0.362 . . . . 10.21 111.28 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -71.8 -23.57 61.59 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.849 0.86 . . . . 6.99 110.696 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -94.93 11.49 69.53 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.013 -0.882 . . . . 7.43 113.264 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 6.8 m 72.37 11.96 5.72 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.082 1.353 . . . . 18.26 111.703 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -91.28 146.64 33.84 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 121.54 -0.725 . . . . 10.7 110.655 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.78 ' HB3' ' HA ' ' E' ' 129' ' ' THR . 95.2 Cg_exo -49.63 141.46 26.79 Favored 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.792 2.995 . . . . 20.06 113.083 172.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' E' ' 128' ' ' ALA . 54.1 tt0 -54.82 135.61 47.51 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.076 0.86 . . . . 16.85 111.819 -172.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 26.1 tp -115.19 112.72 22.94 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.889 -0.596 . . . . 14.84 109.548 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' E' ' 126' ' ' ALA . 50.3 t30 -123.42 96.79 5.12 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.679 -0.86 . . . . 76.73 108.679 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.524 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 81.3 mt -72.63 114.51 10.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.509 0.724 . . . . 20.32 109.457 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.01 78.56 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 119.125 -0.464 . . . . 28.37 110.812 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.461 ' HB3' HH12 ' D' ' 111' ' ' ARG . 21.2 Cg_endo -59.19 131.07 39.14 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.793 2.328 . . . . 32.68 112.296 -174.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.69 120.06 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.804 -0.813 . . . . 69.78 108.804 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.605 ' ND2' ' HB2' ' D' ' 135' ' ' ALA . 24.3 t30 -79.1 89.79 4.83 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.782 0.833 . . . . 99.99 108.94 174.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.599 ' HA ' HD13 ' D' ' 136' ' ' LEU . 77.0 m-85 -64.77 -36.11 83.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.09 0.956 . . . . 99.99 111.118 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' D' ' 100' ' ' ALA . 13.7 t70 -54.96 -38.52 67.87 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.943 0.777 . . . . 99.99 111.998 176.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . 0.605 ' HB2' ' ND2' ' D' ' 132' ' ' ASN . . . -57.51 -34.95 69.63 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 124.082 0.864 . . . . 99.99 111.844 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' E' ' 120' ' ' TYR . 6.3 mp -64.7 -50.26 67.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.462 0.705 . . . . 99.99 109.766 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.417 ' HE2' ' HB3' ' E' ' 109' ' ' TYR . 80.6 m-85 -67.91 -34.66 77.06 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.178 -0.919 . . . . 99.99 109.846 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' D' ' 135' ' ' ALA . 26.4 ttm -64.4 -38.3 90.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.401 1.08 . . . . 99.99 109.86 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' D' ' 142' ' ' GLN . 11.6 m120 -58.59 -40.36 82.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.981 0.912 . . . . 99.99 110.998 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -70.56 -34.38 72.15 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.968 0.793 . . . . 99.99 110.936 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . 0.414 HD13 ' O ' ' D' ' 137' ' ' PHE . 10.9 mp -79.97 -32.43 39.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.829 0.852 . . . . 99.99 111.4 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' D' ' 139' ' ' ASN . 19.9 pt20 -89.61 12.55 16.44 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.6 0.76 . . . . 99.99 110.909 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' D' ' 139' ' ' ASN . 44.1 tt0 -119.04 81.92 1.78 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.063 -1.088 . . . . 99.99 108.063 -172.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -141.66 66.84 1.34 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.251 -1.018 . . . . 99.99 108.251 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.11 171.44 20.15 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 113.652 -1.613 . . . . 99.99 108.879 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . 0.458 ' O ' HG23 ' D' ' 149' ' ' THR . . . -73.29 78.48 0.82 Allowed Glycine 0 C--N 1.342 0.891 0 N-CA-C 111.748 -0.541 . . . . 99.99 111.748 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 61.92 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.029 1.332 . . . . 99.99 111.054 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 51.43 0.46 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.219 -0.752 . . . . 99.99 111.219 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 146' ' ' GLY . 11.3 p -55.49 -70.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.996 0.919 . . . . 99.99 110.914 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -178.9 161.86 1.23 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.35 1.06 . . . . 99.99 109.052 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.75 165.31 25.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.504 0.722 . . . . 99.99 110.82 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -82.42 75.43 9.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.196 -0.668 . . . . 99.99 109.196 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -52.56 7.01 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 106.074 -1.824 . . . . 99.99 106.074 168.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.31 76.43 0.36 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.548 1.539 . . . . 99.99 111.438 166.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.035 -0.984 . . . . 99.99 108.852 177.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.31 -0.626 . . . . 99.99 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' E' ' 377' ' ' PHE . 2.5 pptp? -164.93 147.05 8.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.317 0.647 . . . . 99.99 110.38 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -136.08 -173.55 3.42 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.31 1.044 . . . . 99.99 109.621 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -92.37 -170.39 2.49 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.018 0.927 . . . . 99.99 109.708 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.408 HG23 ' HG2' ' E' ' 379' ' ' LYS . 91.9 m -71.37 -28.17 63.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.37 0.668 . . . . 99.99 110.607 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.459 HD11 HD23 ' B' ' 128' ' ' LEU . 9.1 tp -131.74 128.65 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.891 -165.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 77.24 127.56 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.302 1.593 . . . . 99.99 115.302 161.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt 68.93 177.05 0.27 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.968 1.707 . . . . 99.99 114.333 166.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.09 -163.2 0.59 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.333 -1.303 . . . . 99.99 109.589 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.07 -15.64 57.9 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.782 0.833 . . . . 99.99 111.34 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mp 70.92 169.13 0.12 Allowed Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 124.392 1.077 . . . . 99.99 111.387 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.1 3.87 5.8 Favored 'Trans proline' 0 C--N 1.385 2.478 0 C-N-CA 122.359 2.04 . . . . 99.99 113.485 171.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 70.72 157.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.787 1.235 . . . . 99.99 111.829 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 69.56 154.95 0.13 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.861 1.264 . . . . 99.99 112.751 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' E' ' 21' ' ' ALA . 3.4 t80 -155.79 110.98 2.96 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 104.991 -2.226 . . . . 99.99 104.991 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 24.6 p -58.18 146.47 70.02 Favored Pre-proline 0 N--CA 1.483 1.213 0 CA-C-O 118.073 -0.965 . . . . 99.99 110.981 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -38.79 155.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 125.102 3.868 . . . . 99.99 115.856 -172.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.4 HG11 HG13 ' B' ' 86' ' ' ILE . 2.0 t -64.91 89.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.334 0.654 . . . . 99.99 109.671 -171.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 6.2 t 177.05 -31.2 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.451 1.5 . . . . 99.99 109.334 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -153.82 159.07 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.874 0.869 . . . . 99.99 108.734 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' CE1' ' E' ' 15' ' ' PHE . . . -146.43 98.58 3.1 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.433 -0.58 . . . . 99.99 109.433 173.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -168.14 106.71 0.5 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.404 -1.332 . . . . 99.99 107.404 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 40.5 p -74.61 116.59 54.85 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.946 -0.57 . . . . 99.99 109.864 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.406 ' O ' ' HD2' ' E' ' 27' ' ' PRO . 37.2 Cg_endo -65.11 127.66 18.88 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 122.021 1.814 . . . . 99.99 109.521 173.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.22 89.83 2.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.632 0.373 . . . . 99.99 110.207 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . 0.494 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 0.0 OUTLIER -161.86 -49.66 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.812 0.845 . . . . 99.99 109.096 178.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 43.8 Cg_exo -61.63 -14.33 35.08 Favored 'Trans proline' 0 C--N 1.398 3.163 0 C-N-CA 121.8 1.667 . . . . 99.99 113.002 166.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p 41.41 98.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.473 1.909 . . . . 99.99 113.496 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp 73.49 -72.69 0.11 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.982 1.313 . . . . 99.99 110.544 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -157.33 119.9 3.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.397 0.679 . . . . 99.99 110.275 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 67.81 -73.49 0.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.308 1.443 . . . . 99.99 111.006 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -167.58 -46.23 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.212 1.405 . . . . 99.99 108.069 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.66 22.11 12.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.565 1.146 . . . . 99.99 113.307 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.58 49.23 1.43 Allowed 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.482 0.713 . . . . 99.99 111.212 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -149.94 -26.7 0.26 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.797 1.639 . . . . 99.99 109.196 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.77 -10.08 74.96 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 115.99 -0.55 . . . . 99.99 113.154 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.28 83.02 7.56 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.787 0.804 . . . . 99.99 110.071 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 pt -100.99 -37.85 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 114.239 -1.346 . . . . 99.99 109.102 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -128.65 -30.98 2.26 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.614 0.766 . . . . 99.99 109.992 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' E' ' 41' ' ' PRO . . . 64.18 170.59 0.09 OUTLIER Pre-proline 0 C--N 1.373 1.603 0 C-N-CA 124.47 1.108 . . . . 99.99 110.541 -175.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' E' ' 40' ' ' ALA . 17.5 Cg_endo -57.58 -9.35 5.23 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 121.817 1.678 . . . . 99.99 114.113 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.06 -65.76 2.55 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.146 0.403 . . . . 99.99 112.189 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.84 -8.57 82.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 123.887 0.404 . . . . 99.99 113.793 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -148.27 169.52 19.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.233 1.013 . . . . 99.99 109.727 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 66.01 83.86 0.16 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.676 1.235 . . . . 99.99 111.445 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 71.08 -72.77 0.11 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.127 1.371 . . . . 99.99 113.401 162.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.84 -20.16 21.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 125.095 1.358 . . . . 99.99 112.721 -172.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 18.7 m -44.64 -41.03 6.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.012 1.325 . . . . 99.99 113.35 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.13 0.09 OUTLIER Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.927 -0.869 . . . . 99.99 110.927 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.38 79.24 5.84 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 121.742 0.782 . . . . 99.99 110.848 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -93.23 -32.53 14.32 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.593 -1.185 . . . . 99.99 107.963 162.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -62.17 -19.34 62.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.618 1.567 . . . . 99.99 114.398 -167.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.03 68.97 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.909 0.707 . . . . 99.99 112.909 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.01 2.9 0.11 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.395 0.887 . . . . 99.99 113.395 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp 73.22 -31.7 0.23 Allowed 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.442 1.497 . . . . 99.99 113.306 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -52.88 118.94 4.06 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.025 1.33 . . . . 99.99 112.337 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.57 112.96 11.27 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.937 -1.029 . . . . 99.99 109.061 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.7 p -138.18 -101.29 0.18 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.439 -0.948 . . . . 99.99 108.439 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 91.0 mt 46.31 -96.51 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.609 1.164 . . . . 99.99 111.929 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m 73.25 -36.0 0.34 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.46 1.504 . . . . 99.99 113.848 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.4 -87.58 0.02 OUTLIER 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.674 1.19 . . . . 99.99 109.948 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -164.11 81.67 1.37 Allowed Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 108.554 -0.906 . . . . 99.99 108.554 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -87.86 11.53 3.12 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.508 2.806 . . . . 99.99 112.876 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.21 152.54 46.07 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 124.271 1.028 . . . . 99.99 109.029 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 172.3 10.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.165 -0.679 . . . . 99.99 109.165 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -132.69 177.95 7.23 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 99.99 109.379 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.465 HD13 ' H ' ' E' ' 68' ' ' ILE . 0.4 OUTLIER 79.83 147.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.214 0 O-C-N 125.243 1.589 . . . . 99.99 111.162 174.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.556 HG13 ' H ' ' B' ' 2' ' ' SER . 12.3 tt -95.34 -29.74 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.422 1.089 . . . . 99.99 110.658 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.455 ' HG ' HG23 ' E' ' 68' ' ' ILE . 34.6 mt -87.29 106.07 17.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.028 0.931 . . . . 99.99 110.021 -174.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.466 ' H ' ' ND2' ' D' ' 132' ' ' ASN . 40.8 tp -77.9 80.92 4.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.008 -1.108 . . . . 99.99 108.008 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 77.7 mt -139.03 -71.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.326 0.65 . . . . 99.99 109.714 -173.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.33 44.47 2.13 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 116.031 -0.531 . . . . 99.99 112.423 -172.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.29 -175.4 1.22 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.082 0.953 . . . . 99.99 111.292 -174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.85 80.72 0.18 Allowed Glycine 0 C--N 1.354 1.545 0 O-C-N 123.2 0.312 . . . . 99.99 112.827 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -105.23 83.3 1.95 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.132 0.968 . . . . 99.99 108.591 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' B' ' 131' ' ' VAL . . . 155.63 141.15 3.14 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.157 -0.929 . . . . 99.99 111.489 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.13 120.36 10.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.376 -0.601 . . . . 99.99 109.376 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 24.4 m -81.49 -17.45 48.58 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.77 0.668 . . . . 99.99 112.199 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -88.2 -61.49 1.7 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-N 117.58 0.173 . . . . 99.99 110.917 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 59.5 mt 53.94 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.984 0.914 . . . . 99.99 108.67 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -69.34 82.75 0.37 Allowed 'General case' 0 CA--C 1.556 1.207 0 CA-C-O 121.751 0.786 . . . . 99.99 111.49 -169.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.21 -31.19 8.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.158 1.383 . . . . 99.99 108.616 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.44 150.79 35.3 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.807 -1.088 . . . . 99.99 109.054 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -86.51 63.41 7.97 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 109.111 -0.7 . . . . 99.99 109.111 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -172.05 -77.25 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.54 -0.754 . . . . 99.99 109.167 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -132.98 177.72 7.44 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.145 0.978 . . . . 99.99 108.984 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.79 104.37 0.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.632 0.773 . . . . 99.99 109.197 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.03 111.15 7.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.666 0.787 . . . . 99.99 110.577 -176.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.21 141.6 29.24 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.764 0.665 . . . . 99.99 113.07 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.59 -169.02 2.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.027 0.931 . . . . 99.99 109.902 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . 0.52 ' HA3' ' HG2' ' E' ' 304' ' ' PRO . . . -146.18 161.8 28.34 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.407 -0.36 . . . . 99.99 112.265 176.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.2 154.41 10.45 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.801 -0.52 . . . . 99.99 111.801 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -91.4 149.45 21.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 99.99 109.363 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -94.54 164.3 13.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.355 0.662 . . . . 99.99 111.038 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -128.43 111.53 13.4 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.775 -0.824 . . . . 99.99 108.775 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.79 -71.16 0.04 OUTLIER Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.548 HD12 HD13 ' E' ' 100' ' ' LEU . 15.1 pt -87.37 92.36 3.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.85 0.833 . . . . 99.99 109.862 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.63 -66.36 0.54 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.417 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.3 115.11 13.44 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.033 -0.729 . . . . 99.99 109.033 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.548 HD13 HD12 ' E' ' 97' ' ' ILE . 35.6 tp -137.57 78.92 36.46 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.566 -0.531 . . . . 99.99 109.566 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -92.68 161.62 2.84 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 122.709 2.273 . . . . 99.99 111.31 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.52 HD21 ' HA3' ' D' ' 99' ' ' GLY . 0.8 OUTLIER -101.16 80.57 2.13 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 107.524 -1.287 . . . . 99.99 107.524 174.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p 56.8 -77.27 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.953 1.701 . . . . 99.99 113.273 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.91 -27.76 0.73 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 110.766 -0.934 . . . . 99.99 110.766 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.34 20.66 3.7 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.247 1.019 . . . . 99.99 110.878 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 64.41 -82.12 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.264 1.425 . . . . 99.99 109.952 -172.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . 0.5 ' HB ' HG21 ' D' ' 46' ' ' THR . 30.1 m -150.1 7.8 0.62 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.161 0.984 . . . . 99.99 109.108 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.22 80.96 4.61 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.872 0.844 . . . . 99.99 111.352 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' D' ' 137' ' ' PHE . 76.1 t80 -134.39 -10.4 2.51 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.997 1.319 . . . . 99.99 108.38 168.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -144.75 -160.78 1.18 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.197 1.399 . . . . 99.99 108.183 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.414 ' H ' HD23 ' D' ' 136' ' ' LEU . 6.4 mp 63.81 25.01 13.96 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 124.175 0.99 . . . . 99.99 110.81 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.39 -32.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.733 0.813 . . . . 99.99 110.161 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -73.59 90.8 1.8 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.719 0.771 . . . . 99.99 110.573 -172.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -77.65 133.61 38.35 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.268 -1.333 . . . . 99.99 110.027 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 30.3 p -126.06 -52.99 1.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.069 0.948 . . . . 99.99 108.482 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -151.41 -50.7 0.02 OUTLIER Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.413 -1.875 . . . . 99.99 108.413 172.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -74.54 158.27 85.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.27 -0.965 . . . . 99.99 109.224 167.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.48 54.62 5.1 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.905 2.403 . . . . 99.99 109.863 168.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . 0.274 0.7 OUTLIER 41.63 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 126.582 1.953 . . . . 99.99 112.339 -162.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' D' ' 136' ' ' LEU . 21.5 t80 -159.3 15.66 0.16 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.217 0.607 . . . . 99.99 110.424 -177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.79 112.62 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.785 0.834 . . . . 99.99 110.79 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 35.6 m 68.31 105.34 0.05 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.219 1.408 . . . . 99.99 111.798 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.85 -45.62 74.07 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.316 0.646 . . . . 99.99 110.407 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 17.8 t -165.06 -169.81 1.76 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.041 0.937 . . . . 99.99 109.319 -175.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.23 101.65 3.41 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.349 0.66 . . . . 99.99 109.741 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' D' ' 127' ' ' ASN . . . -78.0 100.82 6.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.425 0.69 . . . . 96.83 110.479 -177.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.0 m -88.7 131.03 35.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.242 0.617 . . . . 99.99 110.855 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' D' ' 125' ' ' GLN . . . -146.1 96.57 2.81 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.705 -0.85 . . . . 74.48 108.705 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.78 ' HA ' ' HB3' ' D' ' 124' ' ' PRO . 11.1 t -89.55 142.07 28.01 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.123 -175.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.35 151.0 2.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.085 0.954 . . . . 99.99 109.916 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.497 ' NE1' ' HB3' ' D' ' 32' ' ' PHE . 29.8 t90 -152.9 149.66 28.48 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.771 0.429 . . . . 99.99 111.001 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 63.6 p -60.56 166.02 3.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.314 1.445 . . . . 99.99 114.327 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.455 HG21 HD12 ' E' ' 470' ' ' LEU . 11.6 t -139.56 164.84 28.83 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 114.887 -1.051 . . . . 99.99 109.941 174.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.34 106.51 2.67 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.973 -0.851 . . . . 89.58 110.973 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 128' ' ' LEU . 4.3 p -87.48 117.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.116 -0.698 . . . . 99.99 109.116 176.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tptp 66.86 142.94 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.019 1.328 . . . . 99.99 110.834 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p -84.85 35.29 0.56 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.659 -0.651 . . . . 99.99 110.895 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' C' ' 12' ' ' GLN . 17.1 t80 59.17 -176.81 0.09 Allowed 'General case' 0 C--N 1.363 1.162 0 C-N-CA 124.842 1.257 . . . . 99.99 109.233 -168.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . 0.499 HD22 ' HA2' ' E' ' 143' ' ' GLY . 70.0 m-20 -114.66 -77.86 0.57 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.553 -0.717 . . . . 99.99 109.61 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.36 124.6 0.72 Allowed Glycine 0 C--N 1.342 0.877 0 N-CA-C 110.111 -1.196 . . . . 99.99 110.111 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 60.0 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.36 1.064 0 C-N-CA 124.762 1.225 . . . . 99.99 110.207 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.33 -73.43 0.66 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.13 -1.063 . . . . 99.99 108.13 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . 0.499 ' HA2' HD22 ' E' ' 139' ' ' ASN . . . -146.99 67.14 0.4 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 115.81 -0.632 . . . . 99.99 114.173 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 5.9 p -158.93 100.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-O 120.965 0.412 . . . . 99.99 110.395 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' E' ' 139' ' ' ASN . 5.3 p-10 -97.08 108.35 21.07 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 109.781 -0.451 . . . . 99.99 109.781 173.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 14.2 tt 178.95 120.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.117 1.367 . . . . 99.99 108.433 173.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -142.49 111.21 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.207 -0.664 . . . . 99.99 109.207 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . 0.611 ' HG3' ' HG3' ' E' ' 149' ' ' LYS . 9.6 tp10 -65.37 -73.64 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.156 0.982 . . . . 99.99 110.289 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.611 ' HG3' ' HG3' ' E' ' 148' ' ' GLU . 98.6 mttt -128.74 122.97 31.81 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 107.634 -1.247 . . . . 99.99 107.634 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.74 109.62 8.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.237 0.615 . . . . 99.99 111.079 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -99.32 125.95 39.49 Favored Pre-proline 0 C--O 1.237 0.428 0 N-CA-C 107.307 -1.368 . . . . 99.99 107.307 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.06 -171.08 0.32 Allowed 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.254 1.969 . . . . 99.99 112.167 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . 0.521 HG23 ' HB2' ' E' ' 157' ' ' MET . 24.6 m -73.17 74.63 1.27 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 121.587 0.708 . . . . 99.99 109.88 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 44.5 mt -90.02 -58.14 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.455 1.102 . . . . 99.99 109.775 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.96 -63.37 1.23 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 113.376 -1.738 . . . . 99.99 110.725 -168.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.64 -85.98 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.941 -0.763 . . . . 99.99 108.941 -172.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.521 ' HB2' HG23 ' E' ' 153' ' ' THR . 1.7 mpt? 59.32 49.12 9.29 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.505 1.122 . . . . 99.99 111.907 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 56.83 26.61 11.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.9 1.28 . . . . 99.99 112.941 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -74.9 -38.19 61.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.344 1.058 . . . . 99.99 109.669 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -75.75 -15.09 60.32 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.859 -1.064 . . . . 99.99 111.943 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 63.48 68.33 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.929 1.291 . . . . 99.99 110.605 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.95 65.38 3.91 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.012 -0.995 . . . . 99.99 111.928 -176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 36.0 tp -142.91 113.99 7.71 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -147.46 -45.21 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.41 0.684 . . . . 99.99 110.612 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.9 t -65.72 -28.53 69.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.063 0.545 . . . . 99.99 111.43 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 79.6 -70.32 2.87 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.982 -0.447 . . . . 99.99 111.982 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 80.26 -60.26 0.29 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.006 1.722 . . . . 99.99 112.011 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 59.3 t 61.58 -83.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.875 1.27 . . . . 99.99 111.219 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 30.0 t -164.19 -75.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.058 0.943 . . . . 99.99 109.562 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 27.6 p -56.02 121.92 10.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.364 1.065 . . . . 99.99 112.433 -170.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.32 54.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.081 0.552 . . . . 99.99 110.34 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . 0.694 ' HB3' ' HB3' ' E' ' 175' ' ' ASP . 12.9 tp10 -150.04 167.74 25.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.806 1.243 . . . . 99.99 107.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 68.0 tp -47.36 -51.8 18.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 99.99 110.587 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.7 91.55 2.78 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 167.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' E' ' 172' ' ' GLU . 8.7 p-10 -98.94 170.89 8.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.965 0.506 . . . . 99.99 110.401 174.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 69.5 160.75 0.2 Allowed 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.917 1.386 . . . . 99.99 111.499 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 43.8 p -80.64 117.82 69.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.309 -0.626 . . . . 99.99 109.309 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.34 81.74 0.16 Allowed 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.367 2.044 . . . . 99.99 110.134 168.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -177.16 43.45 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.175 1.39 . . . . 99.99 108.509 -170.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.99 63.55 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.821 1.248 . . . . 99.99 112.804 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' E' ' 185' ' ' VAL . 0.9 OUTLIER -153.24 121.33 6.15 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.735 -1.12 . . . . 99.99 108.203 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.66 143.57 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.357 0.663 . . . . 99.99 110.585 -171.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 52.23 85.98 0.04 OUTLIER 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.999 1.32 . . . . 99.99 112.574 173.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 61.92 18.95 10.29 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.439 0.696 . . . . 99.99 110.907 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' E' ' 181' ' ' LEU . 45.2 t 58.59 -93.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.109 1.364 . . . . 99.99 110.141 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 8.6 m 58.37 -74.73 0.02 OUTLIER 'General case' 0 C--N 1.366 1.312 0 C-N-CA 125.309 1.444 . . . . 99.99 112.345 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 30.2 t -146.69 -173.49 4.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.455 1.102 . . . . 99.99 108.256 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -70.94 -35.69 72.3 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.804 0.335 . . . . 99.99 110.391 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . 0.44 ' HG3' ' H ' ' E' ' 190' ' ' CYS . 16.0 tptm -156.05 177.96 10.83 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.083 -0.71 . . . . 99.99 109.083 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . 0.44 ' H ' ' HG3' ' E' ' 189' ' ' LYS . 43.2 t 82.82 -25.41 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 126.218 1.807 . . . . 99.99 112.108 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 10.2 t80 68.11 15.35 9.41 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.266 1.426 . . . . 99.99 111.491 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 114.43 150.54 10.15 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.574 -0.57 . . . . 99.99 113.252 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.3 162.13 11.28 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 123.329 2.686 . . . . 99.99 112.583 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 16.3 t -160.52 -170.6 2.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.888 0.475 . . . . 99.99 110.208 -175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 71.08 7.29 6.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.268 1.427 . . . . 99.99 112.702 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 90.7 m 74.81 -47.52 0.62 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 125.698 1.599 . . . . 99.99 113.251 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 47.3 m 64.26 27.7 13.85 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.484 1.114 . . . . 99.99 111.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.68 ' HB3' ' HA2' ' E' ' 202' ' ' GLY . 1.1 tm-20 58.81 76.38 0.35 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.977 1.311 . . . . 99.99 109.513 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.464 ' HB2' ' HD2' ' E' ' 201' ' ' PRO . 86.7 mttt 58.39 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.246 1.418 . . . . 99.99 112.041 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.528 ' H ' ' HD2' ' E' ' 201' ' ' PRO . 77.8 m -167.06 -47.58 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.695 0 C-N-CA 126.582 1.953 . . . . 99.99 110.032 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.528 ' HD2' ' H ' ' E' ' 200' ' ' CYS . 32.2 Cg_endo -62.95 -52.39 2.23 Favored 'Trans proline' 0 C--N 1.4 3.285 0 C-N-CA 121.763 1.642 . . . . 99.99 113.012 176.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . 0.68 ' HA2' ' HB3' ' E' ' 198' ' ' GLU . . . 86.24 51.2 3.6 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 112.385 -0.286 . . . . 99.99 112.385 -174.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -136.68 158.72 43.78 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.735 0.814 . . . . 99.99 110.553 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -148.84 20.43 1.01 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.593 0.757 . . . . 99.99 110.866 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 66.8 tp -133.68 130.62 38.46 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.92 153.72 22.67 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.554 0.742 . . . . 99.99 109.1 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 87.2 tttt 61.16 94.77 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.719 0.808 . . . . 99.99 110.935 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -82.92 49.47 4.22 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.085 -0.507 . . . . 99.99 112.617 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 64.11 -144.59 48.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 120.054 -0.304 . . . . 99.99 112.358 -175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 155.38 16.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.615 0.766 . . . . 99.99 110.186 174.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -105.77 -91.43 2.22 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 116.0 -0.545 . . . . 99.99 111.758 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 25.9 t -151.08 -167.58 2.86 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.533 -0.914 . . . . 99.99 108.533 -175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.436 HG13 HG23 ' E' ' 214' ' ' THR . 25.5 pt 48.03 -165.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 C-N-CA 126.64 1.976 . . . . 99.99 112.682 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . 0.436 HG23 HG13 ' E' ' 213' ' ' ILE . 71.6 p 52.1 -105.79 0.24 Allowed 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.935 1.294 . . . . 99.99 112.325 174.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.22 -29.88 17.92 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.539 0.685 . . . . 99.99 111.124 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.41 -45.15 26.76 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.191 -0.913 . . . . 99.99 112.327 -162.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.41 ' HB2' ' H ' ' E' ' 213' ' ' ILE . 0.9 OUTLIER -83.11 74.57 9.98 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -176.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 89.3 mt -137.89 -42.25 0.53 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.542 1.137 . . . . 99.99 107.936 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.5 147.34 53.58 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.211 -1.359 . . . . 99.99 111.041 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -85.66 4.53 36.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.668 0.787 . . . . 99.99 112.342 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.423 ' HB2' HG22 ' E' ' 224' ' ' VAL . 44.5 mmt-85 -123.66 24.55 8.45 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.356 0.662 . . . . 99.99 111.156 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 63.63 -85.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.545 1.138 . . . . 99.99 113.255 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -107.26 73.6 0.93 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.56 1.171 . . . . 99.99 109.988 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.683 HG12 ' H ' ' E' ' 225' ' ' THR . 3.1 t -89.68 -173.51 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 114.965 -1.016 . . . . 99.99 108.405 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . 0.683 ' H ' HG12 ' E' ' 224' ' ' VAL . 41.0 p 0.12 81.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.335 2.254 . . . . 99.99 115.607 -160.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.81 -31.24 15.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.385 1.074 . . . . 99.99 110.85 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 161.24 -154.1 25.02 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 123.577 0.548 . . . . 99.99 111.74 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -66.02 -42.6 94.59 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.801 0.3 . . . . 99.99 112.78 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -167.22 84.19 0.1 OUTLIER Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.884 -0.886 . . . . 99.99 110.884 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -145.56 137.56 25.46 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.834 0.854 . . . . 99.99 109.482 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.24 129.71 34.07 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.255 1.022 . . . . 99.99 108.726 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.521 HG23 ' H ' ' E' ' 234' ' ' ALA . 8.4 t -131.78 -34.02 1.35 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.287 0.476 . . . . 99.99 112.287 -174.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 23.7 t80 59.56 24.89 13.67 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.806 1.243 . . . . 99.99 111.103 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . 0.521 ' H ' HG23 ' E' ' 232' ' ' THR . . . 70.96 -0.56 3.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.763 1.625 . . . . 99.99 112.742 -176.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' E' ' 236' ' ' THR . 8.8 pt-20 32.43 -104.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 127.332 2.253 . . . . 99.99 114.398 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . 0.507 ' H ' ' HG3' ' E' ' 235' ' ' GLU . 85.4 m -146.99 -64.5 0.28 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.654 1.182 . . . . 99.99 107.969 174.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -175.85 -62.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.973 1.309 . . . . 99.99 107.893 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 39.9 p -138.68 -64.79 0.51 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.199 1.0 . . . . 99.99 109.211 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -155.87 17.88 0.37 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.372 0.669 . . . . 99.99 111.593 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 61.75 28.41 69.96 Favored Glycine 0 N--CA 1.475 1.262 0 CA-C-N 116.39 -0.368 . . . . 99.99 112.667 -176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.54 -90.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.976 1.31 . . . . 99.99 111.005 -173.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.56 -5.6 1.56 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.294 1.038 . . . . 99.99 109.752 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 52.93 91.2 0.02 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.274 1.43 . . . . 99.99 110.671 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -60.68 158.47 28.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 114.991 -1.004 . . . . 99.99 113.508 -172.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.15 97.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 99.99 111.55 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 4.8 m 57.72 55.1 5.73 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.685 -1.143 . . . . 99.99 110.486 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' E' ' 250' ' ' GLN . 2.0 pp -59.32 -16.18 20.58 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 115.494 -0.775 . . . . 99.99 112.085 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -53.36 -28.64 30.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.248 1.419 . . . . 99.99 111.645 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.716 ' HG3' ' HB2' ' E' ' 254' ' ' ARG . 30.3 tt0 -49.71 -27.35 4.68 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.49 1.916 . . . . 99.99 115.318 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' E' ' 247' ' ' LEU . 38.7 mt-30 -41.24 -64.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.568 1.147 . . . . 99.99 114.092 -152.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -95.52 -69.39 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.624 0.601 . . . . 99.99 112.624 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -97.26 -44.7 6.8 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.307 1.225 . . . . 99.99 114.307 -170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -60.24 -22.51 63.13 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.011 1.856 . . . . 99.99 116.011 -154.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . 0.716 ' HB2' ' HG3' ' E' ' 249' ' ' GLU . 23.5 ttt180 -64.88 -45.38 86.21 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 121.23 0.538 . . . . 99.99 110.379 172.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 99.41 59.63 0.88 Allowed Glycine 0 C--O 1.242 0.636 0 N-CA-C 110.404 -1.078 . . . . 99.99 110.404 -173.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -70.34 92.71 0.81 Allowed 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . 0.439 ' HG2' ' HG ' ' E' ' 258' ' ' LEU . 4.7 pm0 -55.5 -42.34 74.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.418 1.087 . . . . 99.99 110.702 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . 0.439 ' HG ' ' HG2' ' E' ' 257' ' ' GLN . 4.2 pp -177.8 165.42 2.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.849 1.66 . . . . 99.99 108.504 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.37 126.25 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 171.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.1 t -76.52 76.08 3.23 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.734 -0.839 . . . . 99.99 108.734 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -153.77 41.42 0.52 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.996 -1.002 . . . . 99.99 108.868 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -70.87 -27.81 64.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.189 -0.914 . . . . 99.99 111.187 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.84 -41.79 22.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.782 -0.644 . . . . 99.99 110.366 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.4 t 58.76 -83.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.965 1.306 . . . . 99.99 111.358 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.9 -78.47 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.787 -1.19 . . . . 99.99 107.787 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 -72.06 0.05 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.436 1.095 . . . . 99.99 108.541 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 67.9 m -174.61 -65.9 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.776 1.63 . . . . 99.99 107.332 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.77 155.69 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.714 1.606 . . . . 99.99 107.62 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 8.8 t -111.43 29.46 7.81 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.318 0.647 . . . . 99.99 110.439 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 62.98 96.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 99.99 110.46 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.85 3.01 43.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.404 -1.271 . . . . 99.99 113.518 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' E' ' 274' ' ' GLN . 26.9 t-20 -52.15 -60.58 3.04 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 123.465 0.478 . . . . 99.99 111.505 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 53.37 15.78 0.75 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 125.073 1.349 . . . . 99.99 114.267 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' E' ' 272' ' ' ASN . 80.5 mt-30 -87.74 2.51 51.02 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 113.263 0.838 . . . . 99.99 113.263 -170.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -79.76 159.34 71.67 Favored Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.978 -0.534 . . . . 99.99 110.798 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -47.6 139.02 18.65 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 123.761 2.974 . . . . 99.99 113.525 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.76 179.29 7.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.763 0.425 . . . . 99.99 111.373 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.2 79.85 0.23 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.586 1.154 . . . . 99.99 109.115 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -142.44 62.09 0.52 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.933 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -170.19 -43.57 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.709 1.204 . . . . 99.99 109.023 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -69.25 94.45 0.7 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.841 -0.618 . . . . 99.99 110.694 -171.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -152.9 -155.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.845 -1.071 . . . . 99.99 108.63 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.81 149.22 36.56 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.263 0.625 . . . . 99.99 111.206 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.04 145.18 9.25 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.438 -0.665 . . . . 99.99 111.438 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -81.78 80.05 8.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.006 -0.738 . . . . 99.99 109.006 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 86.3 mtp -124.41 80.18 60.34 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 107.632 -1.247 . . . . 99.99 107.632 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.28 130.23 6.22 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.587 2.191 . . . . 99.99 112.653 -171.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 6.3 t -94.62 86.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 106.896 -1.52 . . . . 99.99 106.896 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -98.64 23.71 8.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.608 0.763 . . . . 99.99 111.149 -165.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' ' HG ' ' C' ' 42' ' ' LEU . 54.7 m95 63.94 -170.31 0.19 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.159 0.984 . . . . 99.99 112.063 -175.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.464 HD13 ' N ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -133.9 -1.02 3.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.666 1.186 . . . . 99.99 110.472 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 155.32 81.6 0.03 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.022 -0.831 . . . . 99.99 111.022 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.5 85.66 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.304 2.669 . . . . 99.99 111.983 174.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.71 -4.69 1.58 Allowed 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.124 0.787 . . . . 99.99 113.124 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -142.03 121.98 13.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.582 0.353 . . . . 99.99 110.24 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 17.3 m -151.45 -49.11 0.12 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.346 0.658 . . . . 99.99 109.835 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.511 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 30.7 m-85 -111.5 106.35 15.2 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.908 0.483 . . . . 99.99 110.739 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -144.26 41.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.632 1.173 . . . . 99.99 109.69 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -139.2 147.13 18.97 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.745 -0.661 . . . . 99.99 112.268 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . 0.529 ' HB3' HE22 ' E' ' 372' ' ' GLN . 15.0 m120 -70.05 104.91 2.7 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.427 0.691 . . . . 99.99 110.734 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' C' ' 32' ' ' PHE . 29.8 pt -87.51 -11.57 10.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 115.406 -0.816 . . . . 99.99 110.636 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' E' ' 369' ' ' GLU . 1.0 OUTLIER -55.96 122.98 12.81 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.423 0.452 . . . . 99.99 109.865 161.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' E' ' 303' ' ' LYS . 0.0 OUTLIER -162.7 110.37 1.07 Allowed Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 124.837 1.336 . . . . 99.99 109.33 160.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' D' ' 14' ' ' GLN . 6.0 Cg_endo -95.21 76.52 0.15 Allowed 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 124.188 3.258 . . . . 99.99 108.222 149.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -55.34 -72.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.914 1.079 . . . . 99.99 113.914 -161.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' B' ' 131' ' ' VAL . 15.9 m -141.44 160.13 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 112.552 0.575 . . . . 99.99 112.552 -162.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 18.3 m -115.14 136.02 53.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.033 0.933 . . . . 99.99 109.235 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 44.5 t -86.69 156.27 20.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.22 0.608 . . . . 99.99 111.017 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 61.3 p -116.53 155.88 48.18 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.93 0.892 . . . . 99.99 110.434 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -66.64 167.38 19.3 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.843 2.362 . . . . 99.99 112.709 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.52 ' H ' ' HD2' ' E' ' 312' ' ' PRO . 39.6 t-20 -164.12 -57.86 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.378 1.071 . . . . 99.99 110.925 -173.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' E' ' 311' ' ' ASN . 43.2 Cg_endo -62.89 122.43 10.71 Favored 'Trans proline' 0 C--N 1.403 3.437 0 C-N-CA 121.804 1.67 . . . . 99.99 113.312 -167.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.72 159.04 23.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.77 0.828 . . . . 99.99 109.983 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 167.32 11.17 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.657 0.783 . . . . 99.99 110.426 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -145.2 163.56 34.04 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.31 90.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.468 0.651 . . . . 99.99 110.624 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.0 t -144.28 105.08 4.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.325 -1.361 . . . . 99.99 107.325 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.82 150.85 51.39 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 109.421 -0.585 . . . . 99.99 109.421 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.02 160.03 51.09 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.059 1.839 . . . . 99.99 111.558 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.9 m -72.36 -26.46 61.92 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.273 0.629 . . . . 99.99 110.725 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.446 HD13 ' N ' ' E' ' 322' ' ' ALA . 1.9 tm? 71.97 143.98 0.06 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.607 1.563 . . . . 99.99 109.948 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . 0.446 ' N ' HD13 ' E' ' 321' ' ' LEU . . . 66.72 25.4 9.77 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.454 1.102 . . . . 99.99 111.108 -177.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 68.78 -73.56 0.09 Allowed 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.093 1.757 . . . . 99.99 110.395 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 56.2 ttp -158.66 -34.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.802 -1.09 . . . . 99.99 109.28 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 75.8 p 51.76 -109.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 117.376 -1.297 . . . . 99.99 109.762 -164.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 58.71 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.289 1.036 . . . . 99.99 111.971 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.99 103.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.718 0.807 . . . . 99.99 111.472 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.718 ' H ' ' HB2' ' E' ' 332' ' ' LEU . . . -74.42 -78.77 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.481 -176.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 48.9 mm -89.01 -75.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 109.457 -0.572 . . . . 99.99 109.457 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -102.03 -62.29 1.28 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.767 0.794 . . . . 99.99 110.861 163.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.59 -56.64 2.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.262 -1.336 . . . . 99.99 112.83 -166.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.718 ' HB2' ' H ' ' E' ' 328' ' ' ALA . 2.7 tm? 65.42 83.66 0.16 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 -156.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -85.11 61.63 6.99 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.94 -1.027 . . . . 99.99 109.183 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.071 1.748 . . . . 99.99 109.857 -171.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.29 -38.61 24.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.766 0.826 . . . . 99.99 110.17 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 67.53 9.02 6.74 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.894 1.277 . . . . 99.99 110.389 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' E' ' 337' ' ' LYS . 10.5 mmpt? -92.58 119.78 32.37 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.569 0.748 . . . . 99.99 111.456 -171.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -113.77 16.74 20.93 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.162 -0.926 . . . . 99.99 111.137 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -72.25 85.62 1.07 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.066 0.946 . . . . 99.99 109.618 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 65.51 2.9 2.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.652 1.181 . . . . 99.99 112.989 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 55.19 -164.13 0.13 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.145 1.378 . . . . 99.99 112.365 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.99 -104.01 0.18 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.74 1.216 . . . . 99.99 110.453 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.36 160.85 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.88 157.55 37.19 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.079 0.552 . . . . 99.99 110.384 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -76.8 164.33 53.04 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.373 -0.291 . . . . 99.99 112.373 176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.31 -55.04 10.17 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.915 0.486 . . . . 99.99 110.796 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 24.8 t 60.21 31.83 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.065 0.946 . . . . 99.99 110.573 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -79.43 128.29 38.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-N 115.598 -0.728 . . . . 99.99 109.771 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.06 107.79 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 50.8 89.33 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.546 1.138 . . . . 99.99 113.08 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.15 -19.86 58.1 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.703 -0.681 . . . . 99.99 109.937 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -135.89 98.9 4.01 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 108.479 -0.934 . . . . 99.99 108.479 171.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -83.68 -59.43 2.43 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 99.99 109.038 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -159.54 -30.08 0.06 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.907 0.883 . . . . 99.99 110.676 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 65.34 -89.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.588 1.555 . . . . 99.99 111.465 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 60.33 100.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 124.399 1.08 . . . . 99.99 109.979 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.6 37.18 0.63 Allowed 'Trans proline' 0 CA--C 1.561 1.827 0 C-N-CA 122.686 2.257 . . . . 99.99 114.111 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.9 t 64.76 89.14 0.1 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.351 1.46 . . . . 99.99 112.11 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -90.54 42.13 2.92 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 115.889 -0.596 . . . . 99.99 112.159 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -109.45 -173.8 2.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.373 1.069 . . . . 99.99 109.248 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 26' ' ' PRO . 33.9 mm 77.79 142.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.87 1.268 . . . . 99.99 113.003 164.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.04 -139.73 3.1 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.384 -0.826 . . . . 99.99 112.388 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . 0.449 ' HG3' HG23 ' E' ' 364' ' ' THR . 15.2 pt-20 -157.42 -34.52 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.428 0.614 . . . . 99.99 112.067 -170.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . 0.468 ' HB ' HE22 ' C' ' 33' ' ' GLN . 40.9 p -86.38 105.09 16.47 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.092 0.472 . . . . 99.99 111.149 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . 0.517 HG21 HD13 ' D' ' 51' ' ' LEU . 21.6 t -106.25 158.93 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.965 1.306 . . . . 99.99 109.315 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . 0.708 ' HB2' ' HB3' ' C' ' 33' ' ' GLN . 17.1 t70 -122.48 113.24 19.06 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.678 0.391 . . . . 99.99 110.32 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . 0.428 HD23 ' H ' ' E' ' 367' ' ' LEU . 2.7 pt? -83.03 -13.44 55.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.165 0.986 . . . . 99.99 112.855 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.67 -24.56 67.7 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 113.517 0.932 . . . . 99.99 113.517 -161.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' E' ' 302' ' ' ASP . 41.9 mt-10 -63.42 -21.96 66.6 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.338 0.866 . . . . 99.99 113.338 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -52.56 -17.89 1.47 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.607 1.336 . . . . 99.99 114.607 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 57.9 t -72.96 -30.44 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.355 0 C-N-CA 123.666 0.787 . . . . 99.99 112.24 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.529 HE22 ' HB3' ' E' ' 300' ' ' ASN . 8.7 pt20 -63.52 -16.89 62.02 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.731 1.011 . . . . 99.99 113.731 -170.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -58.0 -21.29 44.17 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.09 1.145 . . . . 99.99 114.09 -174.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.69 74.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.398 0.279 . . . . 99.99 111.006 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.59 -35.39 65.41 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.54 0.736 . . . . 99.99 110.637 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.87 -37.26 81.52 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.351 0.596 . . . . 99.99 110.58 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' E' ' 2' ' ' LYS . 40.9 t80 -77.79 -37.03 49.73 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.866 -0.606 . . . . 99.99 109.759 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.08 -23.2 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.915 0.886 . . . . 99.99 111.828 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' E' ' 381' ' ' GLU . 17.3 tppt? -54.55 -41.86 70.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.99 0.916 . . . . 99.99 110.318 172.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? 62.03 19.01 10.45 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.211 1.004 . . . . 99.99 111.822 170.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . 0.423 ' HB2' ' HG3' ' E' ' 379' ' ' LYS . 8.7 tp10 -90.99 147.93 22.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.525 -0.734 . . . . 99.99 112.081 -167.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 163.7 153.58 7.38 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 109.877 -1.289 . . . . 99.99 109.877 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . 0.407 HD21 ' HB2' ' E' ' 385' ' ' LEU . 9.2 t30 -145.34 -71.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' B' ' 43' ' ' ASP . 32.8 m 60.6 75.47 0.41 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.067 0.947 . . . . 99.99 110.165 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . 0.407 ' HB2' HD21 ' E' ' 383' ' ' ASN . 53.9 tp -76.35 143.71 40.59 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.149 -0.932 . . . . 99.99 109.93 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.96 104.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 N-CA-C 107.589 -1.263 . . . . 99.99 107.589 167.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . 0.685 ' HB ' ' HB2' ' B' ' 45' ' ' ASP . 52.4 mt -90.29 146.08 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.5 117.33 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 108.899 -0.778 . . . . 99.99 108.899 172.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.3 m -65.02 154.34 38.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.395 1.078 . . . . 99.99 111.347 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' B' ' 79' ' ' GLN . . . -48.73 111.42 0.46 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.502 1.121 . . . . 99.99 111.823 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.46 163.44 27.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.391 1.476 . . . . 99.99 109.087 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 59.1 t60 85.5 -31.77 0.05 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.637 1.575 . . . . 99.99 110.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -65.58 98.33 0.36 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.998 -1.112 . . . . 99.99 107.998 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -74.13 -62.81 1.38 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.683 -0.689 . . . . 99.99 110.917 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -179.58 -168.38 0.12 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.997 0.919 . . . . 99.99 109.137 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . 0.472 ' HA ' HG13 ' A' ' 31' ' ' VAL . 37.0 m -62.01 -30.47 70.98 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 123.431 0.457 . . . . 99.99 110.673 171.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 74.27 -18.08 0.43 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.448 1.499 . . . . 99.99 112.668 168.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 15.8 tt 34.46 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 126.676 1.99 . . . . 99.99 112.807 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.0 131.65 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.655 -0.702 . . . . 99.99 109.433 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -76.13 109.14 7.49 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.715 0.806 . . . . 99.99 110.627 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -84.71 150.95 11.42 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.869 2.379 . . . . 99.99 110.615 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.97 -20.6 0.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.861 0.864 . . . . 99.99 112.05 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 47.3 m -69.17 147.61 51.09 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.253 1.421 . . . . 99.99 109.759 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 73.76 0.01 3.5 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.267 1.427 . . . . 99.99 111.394 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 48.09 66.55 5.53 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 125.112 1.365 . . . . 99.99 111.03 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.36 74.35 5.48 Favored 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.808 2.339 . . . . 99.99 112.019 -171.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -100.43 47.92 1.22 Allowed Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.194 -0.912 . . . . 99.99 110.9 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.81 84.8 4.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.555 0.742 . . . . 99.99 109.615 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 91.0 m -147.55 120.01 8.48 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.374 -0.972 . . . . 99.99 108.374 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -59.32 117.03 4.34 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 124.114 0.884 . . . . 99.99 109.631 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -154.02 -18.75 0.13 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.726 0.81 . . . . 99.99 111.011 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 53.2 tp -72.73 118.53 15.78 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 123.102 0.561 . . . . 99.99 109.73 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -84.04 -168.19 2.05 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 13.2 m 68.76 16.14 8.94 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.493 1.14 . . . . 99.99 110.205 -172.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -67.28 -18.22 65.11 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.218 1.407 . . . . 99.99 110.101 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.55 25.23 0.78 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.074 1.749 . . . . 99.99 110.828 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 71.95 -81.75 0.54 Allowed Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.284 -0.726 . . . . 99.99 111.284 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -149.14 36.79 0.76 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 99.99 108.902 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 74.6 t 73.88 -58.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 125.733 1.613 . . . . 99.99 110.046 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 24.2 ptp -61.34 -16.64 48.12 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.735 1.214 . . . . 99.99 111.904 171.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 29.2 t 63.29 -93.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.073 0 C-N-CA 125.324 1.45 . . . . 99.99 109.638 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 27.2 ttt 164.11 74.37 0.0 OUTLIER 'General case' 0 C--O 1.238 0.47 0 C-N-CA 127.02 2.128 . . . . 99.99 105.64 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.1 p -74.11 80.92 1.75 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.663 -0.698 . . . . 99.99 110.047 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -112.88 -9.05 13.68 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.61 1.164 . . . . 99.99 110.066 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -87.0 -5.53 80.6 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-O 119.509 -0.606 . . . . 99.99 113.538 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 51.7 t30 71.66 -78.71 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.407 1.483 . . . . 99.99 111.488 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 21.5 p -120.33 157.21 29.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.921 0.889 . . . . 99.99 110.776 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.34 -65.34 1.02 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.411 0.685 . . . . 99.99 111.538 -167.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.85 -36.21 83.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.667 0.787 . . . . 99.99 111.296 -173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.47 -20.9 63.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.548 1.139 . . . . 99.99 111.88 -173.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 39.5 m -64.39 -42.16 96.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.279 0.632 . . . . 99.99 110.139 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -80.69 -52.98 6.94 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 99.99 109.818 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -164.63 -87.28 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.582 -1.266 . . . . 99.99 107.582 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -168.97 -52.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.66 1.584 . . . . 99.99 106.932 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 145' ' ' ALA . 24.6 m 68.99 146.01 0.05 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.287 1.435 . . . . 99.99 110.899 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 84.73 -178.17 51.27 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-O 119.535 -0.592 . . . . 99.99 111.671 -172.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 14.8 t 68.9 16.92 8.78 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.995 0.918 . . . . 99.99 111.041 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . 0.614 HE21 ' HA ' ' E' ' 438' ' ' GLN . 0.0 OUTLIER -104.83 -28.42 11.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.578 0.751 . . . . 99.99 110.664 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 59.65 -155.38 0.35 Allowed 'General case' 0 CA--C 1.553 1.095 0 O-C-N 124.449 1.093 . . . . 99.99 110.436 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 71.34 82.68 0.15 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.864 0.865 . . . . 99.99 111.132 169.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 5' ' ' ASN . 37.6 mm -126.07 -50.0 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 172.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -93.47 -178.85 4.86 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.761 -0.654 . . . . 99.99 110.388 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -82.11 -64.16 1.24 Allowed 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.354 0.661 . . . . 99.99 111.543 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -135.28 4.07 3.15 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.703 0.631 . . . . 99.99 112.703 -170.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 161.24 -149.84 19.05 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 118.712 0.687 . . . . 99.99 113.675 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -100.59 130.46 0.15 Allowed 'Trans proline' 0 CA--C 1.558 1.697 0 C-N-CA 123.576 2.851 . . . . 99.99 112.335 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . 0.723 ' HB3' HG21 ' E' ' 451' ' ' VAL . 26.9 t-80 -75.73 -48.09 23.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 108.427 -0.953 . . . . 99.99 108.427 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -172.74 -76.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.895 1.278 . . . . 99.99 107.941 170.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -176.66 -62.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.906 1.283 . . . . 99.99 108.042 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -85.1 82.5 8.4 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 114.684 -1.144 . . . . 99.99 110.486 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.723 HG21 ' HB3' ' E' ' 447' ' ' HIS . 4.9 t -121.81 -43.56 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 115.51 -0.768 . . . . 99.99 109.558 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 11' ' ' PHE . 2.9 p -116.16 131.58 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.155 0.582 . . . . 99.99 109.664 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -93.62 80.89 1.02 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 111.28 -0.728 . . . . 99.99 111.28 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.761 HD22 ' SG ' ' A' ' 97' ' ' CYS . 94.6 mt -123.59 -51.16 1.84 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.184 0.594 . . . . 99.99 112.072 -174.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 6.0 m 72.64 9.15 5.65 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.394 1.078 . . . . 99.99 110.86 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 41.6 t0 70.12 -77.51 0.05 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.391 1.877 . . . . 99.99 113.63 172.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . 0.488 ' HG3' HG23 ' E' ' 458' ' ' THR . 28.6 pt20 -154.04 -154.49 0.52 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.582 0.353 . . . . 99.99 111.682 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.488 HG23 ' HG3' ' E' ' 457' ' ' GLN . 58.7 p 79.13 89.45 0.06 Allowed 'General case' 0 C--N 1.367 1.347 0 C-N-CA 127.441 2.296 . . . . 99.99 112.686 172.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -147.07 -165.91 2.37 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 106.271 -1.751 . . . . 99.99 106.271 168.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.599 ' HB3' ' HA ' ' A' ' 131' ' ' VAL . 3.4 tm? -62.44 102.03 0.28 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.99 1.268 . . . . 99.99 108.316 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 6.9 m-85 -64.01 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.648 0.593 . . . . 99.99 110.27 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.566 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 49.1 t80 -168.52 94.12 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.936 0.789 . . . . 99.99 108.936 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 5.7 t -164.62 -43.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.909 0.883 . . . . 99.99 109.747 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 14.4 mmt 71.15 -65.0 0.36 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.205 1.402 . . . . 99.99 112.45 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? 80.63 -37.34 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.403 1.481 . . . . 99.99 111.006 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -139.23 166.71 23.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.054 0.942 . . . . 99.99 110.181 174.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -107.24 -90.66 0.43 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.275 0.63 . . . . 99.99 110.697 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.99 162.92 29.12 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.929 0.492 . . . . 99.99 110.796 -176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -106.58 55.6 0.53 Allowed Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.532 -0.627 . . . . 99.99 111.532 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.468 HD11 ' CH2' ' A' ' 36' ' ' TRP . 6.3 tt -89.1 -78.44 0.35 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 126.095 1.758 . . . . 99.99 113.78 -177.676 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' E' ' 447' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.689 0.255 . . . . 99.99 111.689 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -134.45 18.64 3.64 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.554 0.742 . . . . 99.99 110.186 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' E' ' 450' ' ' ASN . 0.0 OUTLIER -134.78 -72.7 0.47 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.945 0.898 . . . . 99.99 108.597 -172.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -85.63 -12.26 51.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.216 1.007 . . . . 99.99 109.422 168.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 8' ' ' GLU . 63.5 t30 67.52 -90.7 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.368 1.467 . . . . 99.99 109.457 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -169.03 33.32 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 m 71.29 5.4 5.43 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.225 1.41 . . . . 99.99 111.49 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' HB2' ' ND2' ' A' ' 5' ' ' ASN . 38.9 mt-10 -74.54 107.87 6.94 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.888 -1.153 . . . . 99.99 107.888 168.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -68.91 133.5 48.31 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 123.527 0.517 . . . . 99.99 111.468 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -141.75 120.06 12.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.913 1.285 . . . . 99.99 108.756 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 85' ' ' SER . 46.8 t80 -130.35 140.19 50.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.938 0.495 . . . . 99.99 110.098 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 139.05 4.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.313 1.045 . . . . 99.99 109.108 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -87.15 112.09 22.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 108.146 -1.057 . . . . 63.61 108.146 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.98 -39.88 29.14 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 109.318 -0.623 . . . . 99.99 109.318 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -170.57 145.72 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.177 -0.675 . . . . 87.02 109.177 -168.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -138.5 138.8 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.021 0.928 . . . . 27.8 109.117 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -160.15 165.57 31.4 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.562 1.145 . . . . 37.37 110.811 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.0 p -89.13 113.89 25.1 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.845 -1.169 . . . . 12.57 107.845 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' HB1' ' E' ' 322' ' ' ALA . 37.6 mtpt -71.79 -41.23 68.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.31 -0.626 . . . . 37.56 109.31 171.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.9 t70 -138.57 142.13 39.23 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.99 -1.005 . . . . 38.09 109.935 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.2 mt -132.45 143.41 39.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 107.008 -1.479 . . . . 5.43 107.008 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -154.55 134.63 13.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.998 -0.742 . . . . 6.92 108.998 168.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 20' ' ' ASP . 78.9 t80 -133.32 110.44 10.06 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 105.854 -1.906 . . . . 5.61 105.854 172.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.38 121.72 41.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.004 0.522 . . . . 36.27 109.887 -174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.52 78.74 43.23 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 108.385 -0.969 . . . . 12.68 108.385 174.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.42 -22.76 28.62 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.542 2.162 . . . . 32.78 110.92 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 71' ' ' GLU . 88.9 m-20 -102.01 22.56 12.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.071 -0.968 . . . . 80.05 110.459 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.0 95.68 Favored Pre-proline 0 CA--C 1.566 1.585 0 C-N-CA 123.469 0.708 . . . . 31.49 112.449 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.13 -5.84 12.06 Favored 'Trans proline' 0 C--N 1.395 3.003 0 CA-C-N 120.948 1.374 . . . . 44.68 112.583 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -100.25 -11.59 20.25 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.838 0.855 . . . . 99.99 111.896 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.44 -24.36 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.789 0.836 . . . . 99.99 112.573 -171.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -66.18 -31.09 71.72 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.805 0.842 . . . . 99.99 110.787 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.48 -11.16 56.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.173 0.989 . . . . 99.99 112.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.2 mmpt? -82.3 148.62 28.23 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.19 120.74 15.5 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.423 1.089 . . . . 99.99 109.301 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -76.37 73.5 3.14 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.779 0.799 . . . . 99.99 111.548 -171.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.82 79.14 23.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 106.08 -1.822 . . . . 99.99 106.08 171.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' E' ' 470' ' ' LEU . 4.2 Cg_endo -88.8 117.79 0.91 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.217 2.611 . . . . 57.34 111.582 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.75 103.4 15.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 HD22 ' E' ' 468' ' ' LEU . 9.2 m -72.05 90.89 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.01 0 CA-C-O 122.248 1.023 . . . . 48.36 109.966 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -80.87 112.47 18.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.666 -1.152 . . . . 99.99 108.404 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD12 ' SD ' ' E' ' 464' ' ' MET . 2.1 tm? -104.96 112.76 26.01 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.699 -1.223 . . . . 97.85 107.699 -173.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 9.6 m-20 -107.92 148.71 29.27 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.425 0.69 . . . . 85.15 109.417 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.5 mt -128.56 129.52 46.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.987 0.915 . . . . 99.99 108.847 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -138.69 148.31 43.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.273 1.029 . . . . 78.84 108.367 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.474 ' HB ' ' HG ' ' E' ' 460' ' ' LEU . 74.3 m -146.65 138.82 24.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.27 0.628 . . . . 43.33 109.829 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.3 151.51 51.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.24 1.016 . . . . 41.53 108.66 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -131.27 157.7 42.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.139 0.576 . . . . 88.8 109.682 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -162.38 158.15 23.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.31 1.044 . . . . 73.87 108.75 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.47 128.66 48.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.407 -0.96 . . . . 99.99 108.407 171.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.4 mt -96.16 -37.2 10.68 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.512 0.725 . . . . 99.99 110.418 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.11 -174.16 4.41 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.821 0.848 . . . . 99.99 110.108 -175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' OG ' ' A' ' 2' ' ' SER . 69.6 m-20 -66.69 123.42 20.06 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.25 0.62 . . . . 99.99 110.278 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 61.6 9.14 2.6 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.984 1.313 . . . . 99.99 112.676 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 51' ' ' LEU . 72.2 t -116.22 115.62 49.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 C-N-CA 124.564 1.146 . . . . 99.99 108.993 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.427 ' HE1' HD11 ' E' ' 454' ' ' LEU . 59.7 m-85 -131.14 127.19 37.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.612 1.165 . . . . 99.99 108.451 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.619 ' HB2' HD11 ' A' ' 51' ' ' LEU . 40.1 tt0 -87.38 138.74 31.22 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 122.946 0.499 . . . . 57.04 109.972 174.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 95.8 t -122.07 123.89 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.983 -1.118 . . . . 54.22 107.983 171.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.1 t -104.39 130.26 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.358 0.663 . . . . 29.36 109.319 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 110.51 20.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.668 -1.234 . . . . 19.86 107.668 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 17.1 ttp180 -103.93 114.13 28.16 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.634 0.773 . . . . 99.99 109.569 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.9 130.42 60.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.11 -1.07 . . . . 13.6 108.11 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 19.2 m -114.81 132.96 56.31 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.024 -0.732 . . . . 17.22 109.024 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 77.1 t -130.07 107.51 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.76 -1.2 . . . . 14.92 107.76 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.1 m -119.78 149.59 41.79 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.195 -0.668 . . . . 21.43 109.195 -177.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.15 108.25 5.47 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.792 -0.818 . . . . 23.61 108.792 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 m -107.66 127.17 53.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.96 -0.385 . . . . 57.75 109.96 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 73' ' ' ALA . 7.5 mp -99.52 87.57 3.63 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.949 1.3 . . . . 99.99 108.125 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.61 -84.2 1.14 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 109.677 -1.369 . . . . 93.1 109.677 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -131.99 -29.77 1.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.736 0.814 . . . . 99.99 109.471 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 16.2 mp0 -80.39 122.11 26.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.041 0.536 . . . . 99.99 110.284 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 m -74.46 122.82 23.62 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.576 0.547 . . . . 30.12 111.331 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 68' ' ' LEU . . . -62.36 -61.81 2.19 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.45 1.5 . . . . 22.88 109.942 173.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.37 149.12 33.16 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.315 -1.311 . . . . 30.01 111.057 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.3 tp -130.0 135.03 47.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.195 -1.409 . . . . 14.44 107.195 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 51.0 m -139.66 106.58 5.42 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.652 -0.87 . . . . 14.43 108.652 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -129.29 119.37 23.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.05 -0.722 . . . . 35.14 109.05 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.0 t -129.02 122.58 56.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 123.832 0.853 . . . . 9.47 109.368 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.658 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 52.6 mt-30 -92.58 86.21 5.53 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.799 -0.815 . . . . 43.33 108.799 171.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -76.32 93.21 3.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.586 -0.894 . . . . 15.31 108.586 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -91.11 144.17 17.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.181 -0.768 . . . . 20.02 111.181 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.15 130.7 4.24 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.721 -0.952 . . . . 41.88 110.721 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.84 125.02 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.356 -0.979 . . . . 66.87 108.356 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -130.51 146.06 51.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.821 0.848 . . . . 77.52 109.862 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 39.9 m -89.82 110.71 21.62 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.675 -1.231 . . . . 99.99 107.675 163.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.9 tt -137.47 124.98 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.068 0.547 . . . . 99.99 109.892 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.78 157.79 19.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.304 1.041 . . . . 99.99 109.555 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.35 -2.08 31.06 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 115.34 0.896 . . . . 99.99 115.34 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.538 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 1.9 mp -113.04 165.82 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.132 -1.062 . . . . 99.99 108.132 178.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' E' ' 344' ' ' GLU . 0.1 OUTLIER -134.41 173.81 11.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.675 0.79 . . . . 99.99 111.204 -176.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.24 -153.45 45.84 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 115.449 -0.796 . . . . 99.99 114.445 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -68.14 -22.42 64.86 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.565 0.746 . . . . 99.99 110.989 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.3 -41.08 97.03 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.674 1.19 . . . . 99.99 110.792 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.538 ' SD ' ' HB ' ' A' ' 89' ' ' ILE . 14.5 tpt -71.59 -39.87 70.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.706 0.803 . . . . 99.99 110.463 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.36 65.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.015 -0.993 . . . . 99.99 111.294 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -92.21 -20.72 20.89 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.744 0.818 . . . . 99.99 112.03 173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.29 -37.76 88.52 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.1 0.476 . . . . 99.99 110.203 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.492 HD21 HG21 ' E' ' 452' ' ' VAL . 1.2 pp -103.13 -9.69 19.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.786 0.662 . . . . 99.99 112.786 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.72 3.47 45.78 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 117.628 0.194 . . . . 99.99 113.511 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.76 -60.53 0.26 Allowed 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.504 0.722 . . . . 95.56 109.596 176.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.1 -59.15 5.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.175 0.59 . . . . 94.48 112.582 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.4 ' SG ' ' HE1' ' A' ' 11' ' ' PHE . 62.1 m -58.12 -43.11 98.09 Favored Pre-proline 0 CA--C 1.57 1.735 0 CA-C-O 118.398 -0.811 . . . . 73.2 112.132 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 78.5 Cg_exo -52.24 -40.58 69.4 Favored 'Trans proline' 0 C--N 1.397 3.128 0 C-N-CA 122.996 2.464 . . . . 48.9 113.692 166.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -70.68 -25.34 62.93 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.874 0.47 . . . . 94.19 111.019 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.66 -29.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 123.98 0.912 . . . . 55.88 109.958 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.51 -20.34 57.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.141 0.977 . . . . 21.71 111.632 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -64.82 -40.37 47.17 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 117.359 -1.305 . . . . 15.39 113.464 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.65 -39.18 56.59 Favored 'Trans proline' 0 C--N 1.392 2.847 0 C-N-CA 122.328 2.019 . . . . 9.95 113.617 169.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -78.95 -39.73 33.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.65 0.78 . . . . 20.66 111.081 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.59 96.13 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.154 0.582 . . . . 7.34 110.123 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.537 HH12 HD12 ' C' ' 105' ' ' ILE . 33.8 ttm180 -54.56 -52.72 61.21 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.833 1.333 . . . . 15.45 109.945 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -61.72 -42.07 98.47 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.579 1.174 . . . . 46.26 111.189 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' MET . 46.1 t -60.8 -48.48 81.62 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 123.908 0.755 . . . . 4.41 110.25 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 118' ' ' VAL . 96.5 mt -60.86 -46.67 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.479 1.111 . . . . 7.34 110.959 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.2 m -54.11 -48.14 71.06 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 125.692 1.597 . . . . 7.28 111.254 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.4 t -66.83 -40.1 87.89 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.288 -1.324 . . . . 4.96 110.11 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 45.3 mmm -67.84 -35.54 78.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 111.908 0.336 . . . . 48.88 111.908 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 114' ' ' ILE . 99.6 t -64.36 -45.73 95.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.362 0.665 . . . . 26.6 110.436 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -69.49 -34.94 75.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.997 0.519 . . . . 17.97 111.474 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.13 -27.62 67.47 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.708 0.803 . . . . 8.38 110.718 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.509 ' O ' HG22 ' A' ' 122' ' ' THR . . . -84.99 9.52 65.9 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 118.519 -1.156 . . . . 6.18 113.921 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 121' ' ' GLY . 1.0 OUTLIER 72.08 9.23 6.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 127.361 2.265 . . . . 20.1 113.146 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.93 157.97 35.8 Favored Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 123.59 0.756 . . . . 13.71 110.407 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.34 125.76 18.89 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 122.91 2.407 . . . . 20.05 113.023 -177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.78 114.46 1.16 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.174 0.99 . . . . 39.31 111.266 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 tt -107.2 100.33 9.81 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 109.086 -0.709 . . . . 56.76 109.086 -167.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.0 91.2 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.971 . . . . 38.41 108.457 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.39 144.19 46.5 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.534 0.733 . . . . 62.97 111.218 -171.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.37 145.31 68.12 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.853 1.261 . . . . 56.46 112.632 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.33 161.29 46.55 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.091 1.86 . . . . 77.42 112.084 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.5 t -136.3 117.07 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.151 -1.055 . . . . 99.99 108.151 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -107.45 101.85 11.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.946 0.498 . . . . 99.99 109.692 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -88.56 -27.83 21.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.089 0.555 . . . . 99.99 110.974 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.58 -52.01 43.67 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.404 0.44 . . . . 99.99 111.491 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.04 79.9 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.373 0.421 . . . . 99.99 110.556 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.73 -43.76 97.98 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.297 1.039 . . . . 99.99 111.322 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -75.1 -47.53 28.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.805 0.842 . . . . 99.99 110.204 -174.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 25.5 mmt -59.56 -53.95 52.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.601 0.76 . . . . 99.99 110.38 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -45.6 -56.6 4.98 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.96 1.304 . . . . 99.99 111.533 174.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -67.36 -37.63 83.51 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.617 -0.719 . . . . 99.99 111.801 -175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.2 -51.04 41.85 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.979 0.512 . . . . 99.99 112.297 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -171.18 -0.53 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.564 0.54 . . . . 99.99 111.537 -166.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 67.57 -79.78 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.252 1.421 . . . . 99.99 109.627 -163.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.48 -80.46 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.476 1.51 . . . . 99.99 109.943 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 63.38 -165.04 0.24 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.625 1.17 . . . . 99.99 112.251 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.8 -86.45 0.24 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.531 -1.427 . . . . 99.99 109.531 173.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.56 155.64 48.3 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.536 1.135 . . . . 99.99 108.695 174.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.25 54.48 0.26 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.952 -0.459 . . . . 99.99 111.952 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.1 p 45.66 71.91 0.25 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.18 1.392 . . . . 99.99 111.587 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.726 ' HG2' ' H ' ' E' ' 149' ' ' LYS . 1.6 mp0 -79.07 -0.61 32.14 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.715 -1.13 . . . . 99.99 111.12 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 57.77 78.44 0.24 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.572 -1.269 . . . . 99.99 107.572 -155.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.41 77.99 2.47 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 122.269 1.033 . . . . 99.99 109.354 -170.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -142.55 173.49 11.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.982 1.713 . . . . 99.99 106.684 -175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.03 104.73 0.17 Allowed 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.584 0.707 . . . . 99.99 111.205 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.472 1.109 . . . . 99.99 110.473 -175.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.259 -0.274 . . . . 99.99 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -81.97 -69.4 0.62 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.368 0.667 . . . . 99.99 110.637 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -37.71 56.8 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.278 1.031 . . . . 99.99 110.453 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 178.35 -67.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.061 1.345 . . . . 99.99 108.598 -166.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.6 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 60.3 t30 -113.41 -39.13 4.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.61 0.967 . . . . 99.99 113.61 -161.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 82.8 135.39 0.06 Allowed 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 126.135 1.774 . . . . 99.99 109.687 -169.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 61.5 p 53.53 29.74 9.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.653 1.581 . . . . 99.99 110.938 -166.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.6 ' HB2' ' HB3' ' B' ' 5' ' ' ASN . 9.5 tp10 -86.94 129.35 34.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.31 1.044 . . . . 99.99 108.983 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.575 ' SD ' ' HD1' ' B' ' 11' ' ' PHE . 0.0 OUTLIER 65.94 166.74 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.032 1.333 . . . . 99.99 110.793 -170.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.7 p -148.97 103.31 3.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.065 1.346 . . . . 99.99 107.392 169.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.575 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 45.0 p90 -146.83 147.61 31.04 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.882 0.849 . . . . 93.55 112.432 170.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.05 117.67 18.67 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 113.971 -1.468 . . . . 99.99 107.395 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' B' ' 84' ' ' PHE . 3.2 mp -69.62 102.63 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.678 -1.23 . . . . 40.88 107.678 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 84' ' ' PHE . 10.2 mm-40 -76.53 -35.71 58.12 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.381 -0.827 . . . . 85.25 109.361 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.536 HH22 ' HB ' ' E' ' 129' ' ' THR . 20.0 ttt180 -171.49 147.2 2.35 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.748 0.419 . . . . 95.33 111.693 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.459 HD12 ' ND2' ' D' ' 127' ' ' ASN . 50.0 mt -117.1 140.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.739 1.216 . . . . 13.6 108.092 172.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' B' ' 19' ' ' LYS . 53.3 p90 -168.65 163.88 12.19 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.648 0.61 . . . . 23.1 112.648 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.7 m -88.58 132.67 34.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.049 0.94 . . . . 6.51 109.525 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' B' ' 17' ' ' TYR . 28.3 mtpt -98.33 -53.13 3.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.464 0.65 . . . . 19.94 110.29 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.9 t70 -141.55 136.43 31.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.791 -1.095 . . . . 37.8 109.485 -161.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' B' ' 78' ' ' VAL . 36.6 mm -139.49 145.78 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.639 1.176 . . . . 5.14 108.58 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -146.31 143.34 29.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.846 -1.07 . . . . 19.25 108.231 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 92.5 t80 -150.63 124.29 9.11 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 107.035 -1.469 . . . . 9.84 107.035 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.421 ' HG2' HD22 ' E' ' 321' ' ' LEU . 1.8 mp0 -130.25 121.29 25.87 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.643 -0.873 . . . . 50.65 108.643 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -113.22 86.79 10.01 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 108.691 -0.855 . . . . 18.09 108.691 174.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' E' ' 318' ' ' VAL . 31.4 Cg_endo -62.92 -42.79 22.54 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.635 2.223 . . . . 31.77 111.33 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.495 ' O ' HG13 ' B' ' 31' ' ' VAL . 46.1 m-80 -107.08 28.61 7.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.744 0.818 . . . . 49.39 110.405 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -41.33 -46.67 8.06 Favored Pre-proline 0 CA--C 1.568 1.635 0 C-N-CA 125.416 1.487 . . . . 51.5 113.64 167.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 20.6 Cg_exo -70.27 -35.45 11.13 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 122.329 2.019 . . . . 70.98 113.131 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 22.4 m170 -70.76 -35.84 72.82 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.73 0.812 . . . . 99.99 111.714 -174.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 27' ' ' ASN . 31.8 m -72.13 2.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 113.508 0.929 . . . . 99.99 113.508 -172.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -62.08 -40.07 94.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.365 0.666 . . . . 99.99 110.563 172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 11.4 pt20 -82.04 -20.46 38.26 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.095 0.558 . . . . 99.99 110.847 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -100.05 73.05 1.71 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 123.753 0.821 . . . . 98.87 110.553 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.41 77.0 2.08 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.026 0.917 . . . . 99.99 110.059 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 24.3 p90 -155.12 -178.25 7.11 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.673 -1.149 . . . . 99.99 109.104 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.28 115.99 57.08 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 123.964 0.906 . . . . 99.99 110.869 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HG ' ' B' ' 68' ' ' LEU . 36.2 Cg_endo -70.18 168.04 23.23 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 122.817 2.345 . . . . 63.52 113.97 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 6.6 mm-40 -67.03 105.19 1.58 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.351 -1.295 . . . . 99.99 108.943 174.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.54 118.71 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.904 -0.776 . . . . 72.1 108.904 -177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' E' ' 310' ' ' PRO . 93.1 mttt -138.18 100.79 4.23 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.525 -1.287 . . . . 99.99 107.525 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.768 ' HB3' ' HB3' ' E' ' 7' ' ' ALA . 8.8 tt -114.41 137.41 51.86 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.899 -0.778 . . . . 96.73 108.899 -175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.22 148.63 44.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.898 1.279 . . . . 92.63 109.48 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.655 HD23 HD12 ' E' ' 11' ' ' LEU . 5.9 mp -100.37 135.28 42.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.831 -1.077 . . . . 67.27 108.689 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -130.37 142.6 50.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.131 0.572 . . . . 58.71 109.501 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -109.99 136.53 49.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.795 0.838 . . . . 66.97 110.534 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -146.47 149.42 33.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.707 0.803 . . . . 35.64 109.483 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -144.16 170.47 15.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.214 1.006 . . . . 74.75 109.635 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.2 p -151.27 140.72 21.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.247 -0.649 . . . . 43.74 109.247 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' B' ' 53' ' ' ASP . 65.3 tt0 -96.14 105.7 17.78 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 109.307 -0.627 . . . . 89.61 109.307 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 57' ' ' GLU . 29.7 mt -82.57 -49.77 9.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.7 -0.852 . . . . 71.01 108.7 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' B' ' 55' ' ' VAL . . . -137.25 179.98 6.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 114.258 -1.337 . . . . 85.91 108.424 169.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.417 ' HA ' HE21 ' B' ' 50' ' ' GLN . 5.3 t70 -81.06 110.11 16.27 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 108.497 -0.927 . . . . 99.99 108.497 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.438 ' HA ' ' CE2' ' B' ' 56' ' ' TYR . 15.0 m-20 78.77 3.53 2.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.25 1.82 . . . . 99.99 112.747 -172.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 52' ' ' ALA . 55.9 t -105.26 103.37 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 107.165 -1.42 . . . . 76.71 107.165 160.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' B' ' 86' ' ' ILE . 42.9 m-85 -120.22 139.48 52.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.269 -1.012 . . . . 98.07 108.269 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.5 tm-20 -100.08 97.45 8.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.845 -1.909 . . . . 46.84 105.845 173.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 36.8 t -93.86 130.67 42.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.77 -1.104 . . . . 57.34 108.911 -174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 21.9 t -107.94 127.23 64.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 124.26 1.024 . . . . 21.57 110.478 -172.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tt -95.9 99.96 11.7 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.956 -1.498 . . . . 62.33 106.956 169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.469 ' HD2' HE21 ' B' ' 79' ' ' GLN . 37.4 ttt180 -98.55 121.41 40.46 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.544 0.688 . . . . 95.32 109.389 -178.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.539 HG13 HD21 ' B' ' 42' ' ' LEU . 39.2 t -112.29 109.38 28.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 124.433 1.093 . . . . 14.84 108.779 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -97.74 131.82 43.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.664 -0.865 . . . . 28.15 108.664 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 87.2 t -127.29 133.56 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.904 0.882 . . . . 18.14 110.391 -169.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 88.4 m -126.06 143.38 51.13 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.171 0.988 . . . . 24.35 109.566 174.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -149.01 142.09 24.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.24 0.616 . . . . 26.44 110.412 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.539 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 19.7 m -138.31 127.7 24.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.753 0.421 . . . . 56.64 111.315 -176.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' B' ' 38' ' ' PRO . 21.5 mt -100.43 105.38 16.85 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.832 -1.173 . . . . 62.67 107.832 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 -142.67 27.14 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-N 114.675 -1.148 . . . . 81.37 111.328 -167.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -97.24 7.92 45.61 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.705 0.802 . . . . 99.99 111.592 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -115.39 156.85 24.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.018 0.927 . . . . 99.99 108.702 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 27.9 m -73.41 131.0 41.34 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.397 -0.365 . . . . 33.32 110.868 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.539 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -83.31 -61.02 1.96 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.777 -1.194 . . . . 25.99 107.777 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -153.86 167.32 30.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.88 -1.509 . . . . 18.76 110.354 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 41.0 mt -133.89 143.21 48.12 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.233 -2.136 . . . . 16.93 105.233 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 44.0 t -145.59 157.53 43.97 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.981 -0.748 . . . . 12.76 108.981 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.69 133.93 3.07 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.09 -0.337 . . . . 30.38 110.09 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' B' ' 21' ' ' ILE . 75.9 t -129.58 145.19 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 123.847 0.717 . . . . 8.91 110.203 174.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.469 HE21 ' HD2' ' B' ' 61' ' ' ARG . 41.3 mt-30 -113.77 107.2 15.42 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 107.526 -1.287 . . . . 33.15 107.526 166.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.531 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.9 tp-100 -96.64 99.53 11.15 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.585 -1.265 . . . . 11.26 107.585 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 144.07 17.01 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.858 -1.065 . . . . 11.78 111.028 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.0 126.62 3.94 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.854 -0.898 . . . . 23.01 110.854 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.12 120.59 35.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.642 -1.244 . . . . 39.34 107.642 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.501 ' HD2' HD12 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -152.92 152.96 32.07 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.998 0.919 . . . . 63.88 109.788 174.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 32.5 t -93.44 89.69 6.42 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.132 -1.062 . . . . 82.93 108.132 173.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.691 HG12 HG11 ' E' ' 18' ' ' VAL . 0.2 OUTLIER -105.35 107.27 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-O 121.36 0.6 . . . . 98.2 110.381 -170.114 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' E' ' 21' ' ' ALA . . . -159.83 172.4 17.73 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.071 -0.968 . . . . 99.99 110.563 178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.93 -30.9 7.67 Favored Glycine 0 N--CA 1.477 1.383 0 N-CA-C 114.418 0.527 . . . . 99.99 114.418 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' B' ' 94' ' ' MET . 5.8 pt -90.8 168.72 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-N 117.688 0.744 . . . . 99.99 111.426 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -159.98 153.76 22.83 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.707 -1.133 . . . . 99.99 110.33 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.13 -113.33 5.0 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 124.111 0.862 . . . . 99.99 114.541 171.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 22.5 m -65.21 -42.51 93.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.533 1.133 . . . . 99.99 110.888 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -70.12 -34.45 73.1 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.17 -0.923 . . . . 99.99 110.405 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.691 ' HA ' HD12 ' B' ' 89' ' ' ILE . 55.8 ttm -69.3 -42.81 74.93 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.509 0.506 . . . . 99.99 110.596 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.78 90.75 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.72 0.637 . . . . 99.99 111.428 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.87 -53.15 12.15 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.702 0.401 . . . . 99.99 112.064 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.36 -44.53 75.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.795 0.438 . . . . 99.99 111.403 -173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' B' ' 94' ' ' MET . 82.9 mt -85.78 -4.3 59.13 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.678 0.391 . . . . 71.23 111.495 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.454 ' HA3' ' HE2' ' B' ' 137' ' ' PHE . . . -88.99 -37.01 7.41 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.971 -0.451 . . . . 59.87 111.971 172.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.09 -60.35 1.76 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.516 0.726 . . . . 71.19 112.287 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -65.38 -61.07 2.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.69 0.796 . . . . 99.99 111.72 -166.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' B' ' 98' ' ' LEU . 60.4 m -63.59 -44.24 80.35 Favored Pre-proline 0 CA--C 1.566 1.561 0 CA-C-O 118.514 -0.755 . . . . 50.37 112.51 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.25 -35.61 91.6 Favored 'Trans proline' 0 C--N 1.397 3.108 0 C-N-CA 122.335 2.023 . . . . 36.29 114.122 170.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -69.08 -20.13 64.08 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.216 0.606 . . . . 87.59 111.768 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.22 -38.97 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 122.875 0.47 . . . . 37.19 110.084 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt -88.59 -24.93 22.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.339 0.656 . . . . 13.07 112.132 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.56 -52.74 71.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 117.598 -1.191 . . . . 99.99 114.033 -171.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.29 -30.08 90.34 Favored 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 122.104 1.869 . . . . 10.37 112.996 -173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . 0.521 ' HE2' HG21 ' D' ' 115' ' ' THR . 89.1 m-85 -70.18 -48.17 58.42 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.523 0.729 . . . . 12.29 110.521 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.92 -41.01 99.33 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.731 -0.668 . . . . 8.75 110.46 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' B' ' 128' ' ' LEU . 42.2 ttt180 -53.77 -52.21 60.96 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.313 1.445 . . . . 59.14 110.928 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.16 -31.78 68.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.592 0.757 . . . . 51.9 110.713 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.2 t -70.02 -40.63 75.09 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.822 0.449 . . . . 13.3 110.887 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 110' ' ' ALA . 37.1 mt -62.21 -48.35 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.284 -0.635 . . . . 9.86 109.284 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 32.9 m -56.99 -39.86 75.49 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.773 1.296 . . . . 13.13 110.853 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -63.91 -47.48 80.43 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.021 0.826 . . . . 8.02 110.038 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -47.35 81.65 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.486 0.714 . . . . 26.78 111.087 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 114' ' ' ILE . 84.5 t -55.98 -47.5 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.391 1.077 . . . . 13.3 110.512 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . 0.525 ' HA ' HE21 ' C' ' 125' ' ' GLN . 60.5 m -71.75 -25.21 61.95 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.592 -1.186 . . . . 29.79 113.127 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -77.48 -34.5 54.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.152 0.581 . . . . 11.55 110.418 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.85 6.93 45.37 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.552 0.533 . . . . 16.97 113.12 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 34.3 p 62.02 33.42 17.24 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.425 1.89 . . . . 23.15 112.195 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -95.89 154.72 38.94 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.57 1.148 . . . . 23.84 110.342 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.3 129.35 28.03 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.569 2.18 . . . . 29.89 110.714 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' C' ' 125' ' ' GLN . 4.8 pp0? -55.05 157.8 3.16 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.189 1.395 . . . . 99.99 113.921 -167.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 29.5 tp -143.48 84.76 1.82 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.614 -0.721 . . . . 72.13 110.133 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -100.27 134.99 42.39 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.24 -1.022 . . . . 73.04 108.24 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' E' ' 6' ' ' ILE . 39.5 mt -76.38 120.73 22.02 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.306 0.574 . . . . 90.81 111.903 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' B' ' 130' ' ' PRO . . . -66.13 167.68 11.47 Favored Pre-proline 0 CA--C 1.573 1.865 0 C-N-CA 125.801 1.64 . . . . 43.15 111.029 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.538 ' HD3' HG12 ' D' ' 16' ' ' ILE . 74.6 Cg_endo -70.77 119.78 6.59 Favored 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 122.122 1.882 . . . . 61.27 114.17 -164.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.18 116.73 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.524 -0.762 . . . . 99.57 109.135 171.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' B' ' 135' ' ' ALA . 23.1 p-10 -80.18 70.87 6.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.837 0.827 . . . . 99.99 109.23 176.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.31 -34.48 42.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.787 -0.642 . . . . 99.99 110.102 -170.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.91 -41.37 99.43 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.011 -0.995 . . . . 99.99 109.873 172.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' B' ' 132' ' ' ASN . . . -77.59 -23.84 49.82 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.256 0.973 . . . . 99.99 111.867 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.82 -54.85 28.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.754 0.822 . . . . 99.99 108.794 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.454 ' HE2' ' HA3' ' B' ' 99' ' ' GLY . 13.1 m-85 -69.47 -33.85 73.49 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.255 -0.884 . . . . 99.99 111.333 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 38.5 ttp -62.95 -35.38 79.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.862 0.465 . . . . 99.99 111.32 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -79.55 -34.26 41.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.151 -0.932 . . . . 99.99 111.086 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -71.46 -41.94 68.78 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.046 -0.525 . . . . 99.99 109.674 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 55.8 mt -88.06 15.62 7.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.52 1.128 . . . . 99.99 110.81 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.481 ' HG3' ' HG3' ' E' ' 88' ' ' GLU . 60.3 tt0 -64.28 -60.05 3.66 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 122.936 0.494 . . . . 99.99 110.157 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 62.95 -66.34 0.09 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.676 1.59 . . . . 99.99 111.348 -172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -60.3 89.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.973 1.309 . . . . 99.99 111.513 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -143.47 95.57 2.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.465 1.106 . . . . 99.99 108.787 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.03 13.12 66.33 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-N 115.632 -0.713 . . . . 99.99 114.096 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 53.47 68.67 0.81 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.582 1.153 . . . . 99.99 111.218 -171.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.5 27.98 71.71 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.45 -0.795 . . . . 99.99 114.74 170.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.9 t -153.01 149.65 28.4 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.122 0.461 . . . . 99.99 110.249 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -87.22 -81.9 0.22 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.419 -0.956 . . . . 99.99 108.419 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 55.02 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.407 1.483 . . . . 99.99 114.322 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 38.9 m80 58.33 32.33 21.94 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.837 1.255 . . . . 99.99 110.781 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.07 133.73 51.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.071 0.548 . . . . 99.99 110.415 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -162.63 104.96 1.07 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.688 0.795 . . . . 99.99 109.151 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.56 -0.904 . . . . 99.99 108.56 178.392 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.362 -0.606 . . . . 99.99 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -75.71 85.42 2.72 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.474 0.71 . . . . 99.99 109.369 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -87.46 153.69 21.23 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.998 -1.001 . . . . 99.99 110.609 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 69.9 -84.54 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.359 1.464 . . . . 99.99 110.853 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -174.7 -47.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.111 0.964 . . . . 99.99 109.099 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' C' ' 90' ' ' GLU . 12.5 m120 72.22 129.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.984 1.713 . . . . 99.99 113.051 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.51 HG22 ' HG3' ' C' ' 8' ' ' GLU . 25.9 m -138.95 -88.33 0.22 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 123.522 0.729 . . . . 99.99 110.448 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' C' ' 7' ' ' THR . 43.2 mt-10 -141.62 3.59 1.69 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 123.223 0.609 . . . . 99.99 112.419 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.49 ' HA ' ' HA3' ' C' ' 88' ' ' GLY . 73.7 mtp 65.99 138.16 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.188 1.395 . . . . 99.99 112.638 -174.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 22.9 m -86.86 81.43 8.15 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.717 -1.216 . . . . 99.99 107.717 173.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' C' ' 85' ' ' SER . 33.6 t80 -114.28 148.85 36.84 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 114.564 -1.198 . . . . 99.99 109.233 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -155.4 129.75 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.271 0.628 . . . . 99.99 109.566 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.12 125.94 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 107.533 -1.284 . . . . 56.3 107.533 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -95.48 -51.07 4.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 117.998 0.363 . . . . 93.16 110.157 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.89 157.76 6.91 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.628 0.771 . . . . 99.99 110.243 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.61 147.42 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.512 -1.292 . . . . 11.74 107.512 168.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -170.01 156.97 6.32 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.492 0.663 . . . . 19.28 111.902 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.516 HG22 HE22 ' C' ' 80' ' ' GLN . 81.0 p -82.68 114.55 21.12 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.25 -0.886 . . . . 6.91 108.81 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -82.88 -46.87 12.47 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.616 -0.883 . . . . 21.95 108.616 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.3 t70 -133.34 133.62 42.75 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.206 -1.361 . . . . 50.62 108.773 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 90.9 mt -136.86 143.39 35.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.373 1.469 . . . . 5.12 107.738 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.3 m -150.5 148.36 28.61 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.701 0.8 . . . . 9.28 110.084 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -149.88 111.28 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 106.912 -1.514 . . . . 8.82 106.912 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.49 117.09 28.49 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.342 -0.614 . . . . 30.58 109.342 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.17 90.47 24.05 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 107.858 -1.164 . . . . 12.04 107.858 172.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 -34.53 59.75 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 122.929 2.419 . . . . 30.41 111.613 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.38 21.52 11.95 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 114.381 -1.281 . . . . 61.38 110.785 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -47.09 -46.22 54.24 Favored Pre-proline 0 CA--C 1.573 1.831 0 N-CA-C 115.586 1.698 . . . . 26.66 115.586 -169.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.27 -50.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 121.733 1.622 . . . . 35.22 112.275 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.57 -24.71 57.75 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.018 1.727 . . . . 48.75 113.528 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.82 -25.91 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.112 0.965 . . . . 55.24 111.569 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.22 -39.28 72.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.819 1.247 . . . . 99.99 112.617 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -89.92 12.01 18.72 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.98 0.512 . . . . 97.11 112.025 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.725 ' HE3' ' HG3' ' C' ' 71' ' ' GLU . 4.6 ttmp? -83.94 146.36 28.07 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.909 0.484 . . . . 88.6 110.894 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.41 112.57 15.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.171 -1.048 . . . . 99.99 108.171 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 95.8 1.53 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.42 0.628 . . . . 99.99 112.132 -175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -153.79 66.46 5.62 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 107.846 -1.168 . . . . 99.99 107.846 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.34 137.37 10.48 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.107 1.871 . . . . 68.93 111.599 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.83 106.49 17.76 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.291 -1.374 . . . . 99.99 107.291 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.66 100.64 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 114.904 -1.044 . . . . 87.15 110.557 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.555 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -94.67 136.84 34.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 173.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.469 HD23 ' H ' ' C' ' 42' ' ' LEU . 1.8 pt? -131.8 137.96 48.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.878 0.471 . . . . 94.05 109.844 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 0.9 OUTLIER -120.16 144.13 47.84 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.969 0.908 . . . . 99.99 109.44 172.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.94 112.38 10.58 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.727 -1.582 . . . . 71.87 106.727 175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 8.7 m-20 -124.81 153.9 41.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 92.17 108.331 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 55.5 m -141.73 130.72 23.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.624 0.37 . . . . 62.96 110.616 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.98 165.04 15.81 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.277 1.031 . . . . 35.73 109.414 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 61.4 p -139.53 152.8 47.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.184 0.594 . . . . 56.22 109.958 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 41.0 t -144.13 126.79 16.09 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.59 0.756 . . . . 43.42 109.335 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.2 117.18 19.22 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.796 -0.816 . . . . 99.99 108.796 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.556 HD11 HD12 ' C' ' 83' ' ' ILE . 77.6 mt -94.96 -34.16 12.48 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.349 0.66 . . . . 61.44 109.681 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.98 -172.87 3.42 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 114.985 -1.007 . . . . 94.06 110.164 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.33 112.54 4.06 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.143 -0.935 . . . . 99.99 109.309 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' C' ' 87' ' ' ALA . 6.2 m-20 67.79 17.77 9.74 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.589 1.156 . . . . 99.99 111.908 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 55.4 t -113.28 113.52 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 108.187 -1.042 . . . . 81.86 108.187 171.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.45 ' HB2' HD12 ' C' ' 86' ' ' ILE . 89.6 m-85 -129.84 125.29 35.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.545 0.738 . . . . 99.99 109.45 -176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.4 128.36 33.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.061 -0.972 . . . . 35.21 108.828 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.95 123.48 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.196 -1.038 . . . . 29.6 108.196 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.42 129.83 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 124.554 1.142 . . . . 20.9 108.424 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -118.14 98.76 6.47 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.422 -0.585 . . . . 69.19 109.422 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.2 ttt180 -82.13 111.15 18.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.693 0.797 . . . . 99.99 108.894 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.15 122.35 65.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.045 -1.094 . . . . 14.53 108.045 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 17.2 m -126.71 139.73 52.92 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.306 0.642 . . . . 20.42 109.283 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -131.98 115.17 26.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.299 1.04 . . . . 17.7 108.891 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 7.0 m -104.45 141.19 36.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.229 0.612 . . . . 29.53 109.683 173.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.69 103.66 8.53 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.863 -1.162 . . . . 32.22 107.863 170.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 58.0 p -149.18 158.29 44.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.514 0.725 . . . . 59.66 109.558 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 pp -124.42 17.73 8.95 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.31 0.644 . . . . 97.29 111.392 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.27 -114.25 0.73 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.277 -1.129 . . . . 76.35 110.277 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.22 -32.21 19.9 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.725 ' HG3' ' HE3' ' C' ' 34' ' ' LYS . 13.3 tp10 -78.88 94.0 5.13 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.458 1.503 . . . . 77.02 109.603 -176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 31.7 m -88.19 136.76 32.83 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.512 -0.767 . . . . 37.0 110.581 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.15 -62.89 1.47 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.219 1.008 . . . . 34.06 109.921 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -162.71 173.58 13.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.142 0.577 . . . . 39.96 111.216 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.459 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.1 tm? -138.96 145.44 39.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.13 1.372 . . . . 16.54 107.345 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' C' ' 114' ' ' ILE . 45.2 t -150.74 144.13 24.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.684 0.794 . . . . 10.97 109.135 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -154.52 138.2 16.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.211 0.605 . . . . 36.61 109.837 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.73 116.12 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.048 0.939 . . . . 9.25 109.475 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 25.6 mt-30 -89.85 91.72 8.73 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.308 -0.997 . . . . 25.23 108.308 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.516 HE22 HG22 ' C' ' 18' ' ' THR . 8.1 tp-100 -79.67 104.24 10.13 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.632 -1.167 . . . . 10.64 110.305 -177.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -84.6 151.76 26.89 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 111.863 -0.495 . . . . 10.6 111.863 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.463 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.97 123.83 1.38 Allowed Glycine 0 CA--C 1.5 -0.902 0 N-CA-C 109.601 -1.4 . . . . 19.17 109.601 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 51' ' ' LEU . 17.3 mm -86.62 125.85 40.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 109.612 -0.514 . . . . 30.38 109.612 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -135.16 125.5 26.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 124.241 0.963 . . . . 49.62 108.953 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 16.0 m -73.64 111.42 8.77 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 107.062 -1.458 . . . . 92.15 107.062 166.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' C' ' 56' ' ' TYR . 51.2 mt -114.73 109.76 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.363 0.665 . . . . 99.99 109.794 -171.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.672 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -151.08 -179.13 7.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.144 0.978 . . . . 99.99 110.294 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 115.46 -47.63 1.02 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.727 -0.549 . . . . 99.99 111.727 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.645 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 34.6 mt 58.32 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.783 1.233 . . . . 99.99 111.453 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.738 ' HB3' ' HB2' ' C' ' 93' ' ' GLN . 0.3 OUTLIER -98.59 17.06 20.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.86 0.864 . . . . 99.99 111.337 176.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.13 -111.62 3.98 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.416 0.447 . . . . 99.99 112.777 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -65.54 -39.14 91.41 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.465 1.106 . . . . 99.99 111.203 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' C' ' 90' ' ' GLU . 49.0 mt-30 -65.57 -43.21 90.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.058 0.543 . . . . 99.99 109.913 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 26.8 ttt -64.85 -38.21 90.21 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.694 0.797 . . . . 99.99 111.224 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.719 ' HB1' ' HG2' ' E' ' 273' ' ' GLN . . . -65.13 -34.24 77.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.105 -0.952 . . . . 99.99 111.148 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -70.71 -38.77 73.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.449 0.7 . . . . 99.99 110.467 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 77.8 m -63.59 -50.86 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.918 0.487 . . . . 99.99 111.279 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.505 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 4.6 pp -73.43 -34.47 65.47 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.251 -0.281 . . . . 99.99 110.508 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.67 10.61 74.19 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.434 -0.648 . . . . 68.51 114.382 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' C' ' 134' ' ' ASP . . . -150.55 -56.08 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 117.92 0.86 . . . . 56.52 111.618 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.451 ' O ' HG12 ' C' ' 105' ' ' ILE . 91.7 t80 -64.54 -52.82 55.72 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.884 0.474 . . . . 99.99 110.917 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 62.7 m -59.22 -48.1 96.97 Favored Pre-proline 0 CA--C 1.57 1.725 0 N-CA-C 113.526 0.936 . . . . 56.59 113.526 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.28 -31.59 52.83 Favored 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 121.591 1.527 . . . . 39.21 112.246 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -28.76 70.21 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.349 0.66 . . . . 71.72 111.551 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.537 HD12 HH12 ' A' ' 111' ' ' ARG . 43.1 mm -72.08 -47.62 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.462 0.476 . . . . 8.71 109.842 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.463 HD21 ' HA3' ' C' ' 82' ' ' GLY . 69.4 mt -77.86 -24.58 48.49 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.746 -0.661 . . . . 37.06 111.952 -173.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.95 -50.56 87.31 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 125.145 1.378 . . . . 16.74 114.346 -169.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.1 -34.6 45.82 Favored 'Trans proline' 0 C--N 1.39 2.758 0 C-N-CA 121.725 1.617 . . . . 9.85 112.162 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -66.64 -45.85 77.71 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.603 0.761 . . . . 5.88 110.358 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.13 89.49 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.581 0.752 . . . . 7.64 110.71 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -56.8 -63.96 1.03 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.436 1.085 . . . . 20.64 111.156 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -62.91 -28.37 70.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 123.664 0.602 . . . . 38.86 111.096 -171.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.77 -36.7 73.2 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.105 0.562 . . . . 13.9 110.944 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' C' ' 76' ' ' CYS . 64.5 mt -70.65 -48.35 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 123.11 0.564 . . . . 8.58 110.005 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . 0.501 HG23 ' HB2' ' C' ' 125' ' ' GLN . 17.2 m -64.27 -30.23 71.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.784 1.234 . . . . 8.54 111.431 -172.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 44.9 t -70.65 -48.66 53.82 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.281 -0.872 . . . . 6.56 109.252 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.539 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -57.52 -39.95 77.67 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.897 0.879 . . . . 5.22 112.728 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 114' ' ' ILE . 98.0 t -62.21 -43.8 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.683 0.793 . . . . 28.53 110.308 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 40.5 p -74.51 -26.57 60.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.438 -0.801 . . . . 17.6 111.456 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' C' ' 117' ' ' MET . 85.4 mtt-85 -65.57 -37.2 85.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.15 0.58 . . . . 7.72 110.038 177.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.36 7.05 61.99 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.559 0.537 . . . . 10.8 113.378 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 26.3 p 62.38 29.2 17.2 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.735 2.014 . . . . 15.17 112.505 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -95.59 151.1 38.3 Favored Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 123.982 0.913 . . . . 24.81 109.332 171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.449 ' HG3' ' H ' ' E' ' 298' ' ' HIS . 40.4 Cg_endo -63.62 135.48 49.29 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.422 2.081 . . . . 29.42 111.295 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' B' ' 119' ' ' SER . 0.0 OUTLIER -60.68 157.67 14.18 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.939 1.296 . . . . 72.03 113.38 -170.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.616 HD11 ' HH2' ' E' ' 290' ' ' TRP . 3.3 tm? -133.37 119.96 20.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.15 -0.932 . . . . 59.85 108.84 174.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.415 HD21 HG21 ' C' ' 115' ' ' THR . 15.3 m120 -103.88 131.86 50.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.072 0.949 . . . . 41.85 109.295 172.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.26 126.17 30.03 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.829 -0.804 . . . . 38.57 108.829 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' E' ' 291' ' ' LEU . . . -68.53 152.59 96.54 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.826 -0.607 . . . . 24.62 110.202 176.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.1 95.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.244 2.629 . . . . 24.48 113.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . 0.483 HG22 HD11 ' E' ' 291' ' ' LEU . 41.3 t -99.98 116.3 42.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.399 0.68 . . . . 68.05 109.547 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -75.04 106.46 6.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.385 0.674 . . . . 99.99 109.362 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.04 -26.05 67.35 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.017 0.527 . . . . 99.99 112.169 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.682 ' HB2' ' HB2' ' C' ' 100' ' ' ALA . 34.8 t70 -57.84 -37.47 73.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.73 0.812 . . . . 99.99 111.022 177.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.47 68.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.04 -0.982 . . . . 99.99 111.751 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.53 ' HA ' ' HB2' ' C' ' 139' ' ' ASN . 75.7 mt -62.69 -20.89 65.31 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.328 0.862 . . . . 99.99 113.328 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -61.22 -39.86 91.84 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.839 0.456 . . . . 99.99 110.827 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -42.63 30.72 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.841 0.857 . . . . 99.99 110.399 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' C' ' 136' ' ' LEU . 5.8 m-20 -55.26 -35.0 64.52 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.383 1.073 . . . . 99.99 111.57 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.61 -86.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 O-C-N 123.967 0.792 . . . . 99.99 110.344 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.439 ' HG ' ' NE2' ' C' ' 142' ' ' GLN . 17.7 tp -175.71 -92.1 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' C' ' 141' ' ' LEU . 1.1 mp0 -141.59 -154.63 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.53 -1.285 . . . . 99.99 107.53 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . 0.508 ' HG3' ' HA ' ' E' ' 272' ' ' ASN . 0.7 OUTLIER -67.77 94.55 0.46 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.388 -0.967 . . . . 99.99 108.388 171.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.27 142.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.842 1.257 . . . . 99.99 111.414 -175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -81.62 93.65 6.77 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 107.188 -1.412 . . . . 99.99 107.188 164.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.27 -50.77 62.05 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 124.023 0.827 . . . . 99.99 113.597 -170.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.94 154.13 21.54 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.387 0.675 . . . . 99.99 109.701 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.43 -108.69 2.04 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-O 119.272 -0.738 . . . . 99.99 111.853 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 11.4 m 58.49 70.89 0.62 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.684 1.194 . . . . 99.99 109.626 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.68 -83.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.129 1.372 . . . . 99.99 108.46 -166.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -166.43 161.05 16.1 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.729 1.212 . . . . 99.99 108.529 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -82.7 12.14 5.07 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.491 0.716 . . . . 99.99 111.672 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -48.16 70.65 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.171 0.989 . . . . 99.99 108.551 169.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.63 163.68 0.23 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.707 1.603 . . . . 99.99 111.463 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.15 0.98 . . . . 99.99 109.136 -179.083 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 108.687 -0.857 . . . . 99.99 108.687 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 61.64 78.54 0.28 Allowed 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.586 1.154 . . . . 99.99 110.962 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -79.72 175.57 10.5 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.546 0.738 . . . . 99.99 110.465 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.82 132.91 37.03 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.791 -0.818 . . . . 99.99 108.791 170.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.11 143.46 56.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.327 1.051 . . . . 99.99 111.438 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -51.09 -52.86 39.42 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.397 1.079 . . . . 99.99 111.588 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m 60.02 -77.35 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.691 1.596 . . . . 99.99 112.532 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -86.65 -30.74 21.53 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.331 1.052 . . . . 99.99 111.854 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -28.5 123.92 0.11 Allowed 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.715 1.606 . . . . 99.99 113.772 -169.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.568 HG21 ' HD2' ' E' ' 94' ' ' PHE . 49.9 p -108.53 147.11 32.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.145 0.578 . . . . 99.99 110.982 -170.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.442 ' H ' ' HA2' ' E' ' 91' ' ' GLY . 55.8 t80 -158.21 110.64 2.32 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.566 -0.901 . . . . 76.43 108.566 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -138.34 126.64 23.03 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.732 0.813 . . . . 99.99 110.167 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.573 HD13 HG21 ' D' ' 105' ' ' ILE . 13.4 mt -96.87 125.33 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.542 -0.91 . . . . 41.34 108.542 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . 0.54 ' HG2' ' HA ' ' E' ' 304' ' ' PRO . 45.2 mt-30 -99.92 -19.65 16.51 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.273 0.629 . . . . 79.46 112.345 -172.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -164.26 144.76 8.12 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 99.99 110.284 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.538 HG12 ' HD3' ' B' ' 130' ' ' PRO . 7.5 pt -134.28 110.49 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.974 1.31 . . . . 53.22 107.762 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.716 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 2.3 p90 -152.6 157.25 40.74 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.332 0.587 . . . . 19.87 111.599 -174.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -87.32 111.16 20.79 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.802 -1.09 . . . . 8.43 108.466 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.7 mtpt -72.01 -34.35 68.78 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 36.9 110.072 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -149.49 142.77 25.15 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.759 -1.109 . . . . 36.68 109.543 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.539 HG21 ' HE2' ' C' ' 117' ' ' MET . 29.3 mt -136.02 146.77 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.184 0.993 . . . . 4.02 108.422 175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -147.55 143.77 28.02 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.472 1.109 . . . . 7.64 108.998 174.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.8 t80 -152.48 118.76 5.56 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 106.567 -1.642 . . . . 5.08 106.567 171.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -128.05 114.46 17.1 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.939 -0.763 . . . . 28.73 108.939 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.73 86.12 1.37 Allowed Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 107.196 -1.409 . . . . 7.19 107.196 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.32 -20.85 13.99 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.555 2.17 . . . . 13.41 112.499 -167.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.424 ' ND2' ' HB ' ' D' ' 72' ' ' THR . 68.7 m-20 -116.89 19.58 14.3 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.082 0.953 . . . . 11.97 110.508 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.88 -60.68 3.54 Favored Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 114.233 1.197 . . . . 12.01 114.233 -166.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' C' ' 83' ' ' ILE . 81.1 Cg_endo -76.29 -23.14 12.01 Favored 'Trans proline' 0 C--N 1.387 2.594 0 CA-C-N 121.476 1.563 . . . . 20.55 113.144 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -68.01 -43.06 79.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 22.26 109.984 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' D' ' 73' ' ' ALA . 2.3 p -85.93 -12.87 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 CA-C-N 115.717 -0.674 . . . . 34.6 111.159 -171.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.35 -8.54 26.05 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.59 0.756 . . . . 32.96 111.981 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -74.3 0.07 15.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.976 0.91 . . . . 99.99 111.389 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -124.98 91.61 3.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.111 1.364 . . . . 31.63 108.237 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -94.42 82.38 4.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.979 0.511 . . . . 99.99 111.143 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . 0.445 ' CH2' ' HA ' ' E' ' 45' ' ' ARG . 46.3 p90 -157.52 -175.36 5.35 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.116 0.967 . . . . 49.29 109.364 171.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . 0.65 HE21 ' HG3' ' D' ' 124' ' ' PRO . 1.7 mp0 -75.55 118.43 70.79 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.032 0.533 . . . . 99.99 109.849 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.67 138.12 62.56 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.017 2.478 . . . . 31.29 112.368 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.05 110.61 4.01 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.648 -1.242 . . . . 99.99 107.648 170.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 64' ' ' VAL . 71.0 t -107.52 129.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 123.732 0.813 . . . . 52.79 109.106 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -100.66 138.83 37.19 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.389 -0.967 . . . . 99.99 108.389 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' E' ' 121' ' ' VAL . 1.3 tm? -97.11 140.57 31.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.747 -1.575 . . . . 74.77 106.747 170.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 16.4 t70 -128.57 130.71 47.76 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.559 -0.904 . . . . 99.99 108.559 -176.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.627 HD21 HG11 ' E' ' 121' ' ' VAL . 37.9 mt -101.35 130.68 47.58 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.061 0.944 . . . . 66.01 112.311 -163.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -153.8 147.98 25.79 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.42 -0.585 . . . . 79.72 109.42 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -139.92 144.13 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.479 0.712 . . . . 77.52 109.594 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.79 173.88 12.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.971 1.308 . . . . 38.8 108.451 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 22.3 p -173.35 168.27 4.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.681 0.392 . . . . 48.36 111.334 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 91.4 p -154.86 130.59 9.99 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.267 -0.642 . . . . 52.73 109.267 173.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -78.71 118.38 20.74 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.662 -0.866 . . . . 99.71 108.662 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.71 18.85 5.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.377 1.071 . . . . 82.32 110.339 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -166.63 161.82 16.07 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.84 0.856 . . . . 96.95 110.563 -178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.25 129.49 36.49 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.118 -0.697 . . . . 99.99 109.118 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.69 9.21 4.19 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 124.689 1.196 . . . . 99.99 112.151 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' D' ' 85' ' ' SER . 66.1 t -142.05 132.2 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 107.519 -1.289 . . . . 82.8 107.519 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.499 ' OH ' ' HB2' ' D' ' 97' ' ' CYS . 0.1 OUTLIER -130.36 172.48 11.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.331 0.586 . . . . 99.99 110.823 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -112.07 124.26 52.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.795 -1.093 . . . . 55.89 108.288 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.556 HG22 ' HG ' ' D' ' 98' ' ' LEU . 47.8 t -101.97 123.09 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.145 -1.058 . . . . 44.56 108.145 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.36 103.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.238 -1.023 . . . . 19.48 108.238 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 116.39 28.68 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.639 -0.874 . . . . 52.2 108.639 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -92.09 99.74 12.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.538 0.735 . . . . 99.99 109.386 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 68.4 t -91.47 122.06 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.019 -1.104 . . . . 9.25 108.019 172.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 20.0 m -122.42 141.3 51.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.644 -0.502 . . . . 10.79 109.644 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.574 HG13 HG13 ' D' ' 40' ' ' VAL . 7.6 t -122.46 135.45 62.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 125.033 1.333 . . . . 9.72 109.664 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -129.12 93.46 3.59 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 107.589 -1.263 . . . . 19.36 107.589 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.27 153.65 18.36 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.529 0.731 . . . . 11.33 110.807 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 29.2 t -155.66 132.91 10.85 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.208 0.603 . . . . 29.87 110.784 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.422 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.0 mt -93.46 102.91 15.14 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 107.186 -1.413 . . . . 24.97 107.186 169.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.55 -113.67 4.0 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 116.042 -0.526 . . . . 27.84 112.009 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.23 5.28 31.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.378 1.071 . . . . 76.3 111.36 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -138.64 135.04 34.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.731 0.412 . . . . 81.89 110.585 -168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . 0.424 ' HB ' ' ND2' ' D' ' 27' ' ' ASN . 94.4 m -53.82 126.9 23.88 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.542 1.151 . . . . 11.35 111.782 -175.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.558 ' HA ' HG11 ' D' ' 31' ' ' VAL . . . -83.19 -64.97 1.07 Allowed 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.234 -1.024 . . . . 10.67 108.234 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.69 167.52 26.19 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.774 -1.103 . . . . 7.73 109.999 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 70.9 mt -128.51 152.83 47.82 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.926 -1.509 . . . . 11.05 106.926 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.7 t -157.24 150.37 23.72 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.015 0.526 . . . . 12.97 109.959 -176.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -154.54 139.62 17.41 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.886 -0.783 . . . . 47.96 108.886 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.8 t -138.01 139.1 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.268 -1.012 . . . . 5.05 108.268 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -119.56 87.78 2.81 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.879 0.872 . . . . 21.68 108.867 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' D' ' 106' ' ' LEU . 8.7 tp-100 -82.58 109.41 16.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.318 -1.31 . . . . 8.01 108.373 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.72 159.18 14.11 Favored Glycine 0 C--O 1.242 0.63 0 O-C-N 123.498 0.499 . . . . 11.29 111.972 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -162.12 154.77 25.83 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 111.784 -0.527 . . . . 22.6 111.784 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.478 HG22 HE21 ' D' ' 14' ' ' GLN . 47.6 mt -98.04 105.32 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 109.403 -0.591 . . . . 43.57 109.403 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -105.09 125.7 51.27 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.069 0.947 . . . . 45.01 110.32 -175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.447 ' HA ' HG22 ' D' ' 55' ' ' VAL . 19.8 m -102.41 121.08 41.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.392 1.077 . . . . 77.58 110.331 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' D' ' 89' ' ' ILE . 36.1 pt -132.62 142.77 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 CA-C-O 121.233 0.54 . . . . 88.57 111.995 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.71 168.07 27.85 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.532 1.133 . . . . 99.99 109.003 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . 0.688 ' H ' ' HA3' ' E' ' 96' ' ' GLY . . . 78.57 11.03 85.7 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 123.043 0.214 . . . . 99.99 113.276 -178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 86' ' ' ILE . 1.1 pp -138.95 150.51 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.051 1.34 . . . . 99.99 109.398 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -141.39 179.04 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.005 0.922 . . . . 99.99 110.681 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.14 -132.85 26.05 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.637 -0.71 . . . . 99.99 113.23 172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -82.53 -24.83 33.89 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.287 0.635 . . . . 99.99 110.529 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.0 -34.91 79.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.134 0.973 . . . . 99.99 111.941 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.557 ' SD ' HG23 ' E' ' 97' ' ' ILE . 14.4 ptt? -64.78 -53.02 53.62 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.38 0.61 . . . . 99.99 111.06 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -9.92 56.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.415 1.086 . . . . 88.9 111.216 -174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -54.64 -36.31 64.41 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.679 0.792 . . . . 99.99 110.965 170.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' D' ' 56' ' ' TYR . 35.0 m -58.3 -32.98 68.97 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 123.638 0.586 . . . . 95.17 111.332 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.556 ' HG ' HG22 ' D' ' 58' ' ' VAL . 10.3 tt -64.37 -37.99 89.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.958 0.903 . . . . 99.99 111.013 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.16 57.92 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-O 119.582 -0.566 . . . . 66.02 113.266 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.94 -80.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.424 0.612 . . . . 54.11 112.4 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.48 -48.1 68.12 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.643 0.777 . . . . 40.76 112.002 -165.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' D' ' 103' ' ' PRO . 57.1 m -64.89 -46.05 74.81 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.951 0.9 . . . . 34.31 111.842 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.2 Cg_exo -55.0 -38.08 93.51 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 122.637 2.225 . . . . 28.69 114.071 167.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.18 -29.06 69.57 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.046 0.538 . . . . 61.29 110.799 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.573 HG21 HD13 ' D' ' 13' ' ' ILE . 45.1 mm -75.37 -47.22 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.494 0.718 . . . . 19.65 109.966 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' D' ' 80' ' ' GLN . 96.3 mt -72.29 -26.63 62.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.39 -0.823 . . . . 13.09 112.59 -170.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.06 -42.79 71.59 Favored Pre-proline 0 CA--C 1.566 1.591 0 CA-C-O 117.628 -1.177 . . . . 10.47 113.102 -172.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -47.1 -43.79 24.55 Favored 'Trans proline' 0 C--N 1.393 2.883 0 C-N-CA 122.704 2.269 . . . . 6.22 114.486 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.75 -41.63 59.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.586 0.754 . . . . 10.48 111.107 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.31 75.04 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.173 -0.921 . . . . 4.16 110.604 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 27.3 ttp180 -62.53 -51.26 68.1 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.312 1.045 . . . . 10.22 109.924 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.89 -44.46 96.75 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.288 0.993 . . . . 32.24 111.353 -175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.99 -42.8 85.93 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.782 0.676 . . . . 3.39 110.397 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.599 HG12 ' SG ' ' D' ' 76' ' ' CYS . 77.1 mt -60.82 -55.25 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 123.977 0.798 . . . . 5.37 110.439 171.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . 0.521 HG21 ' HE2' ' B' ' 109' ' ' TYR . 84.9 m -51.18 -44.84 61.61 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.236 1.415 . . . . 7.06 111.829 -172.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -67.82 -43.47 79.51 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.376 -1.284 . . . . 6.71 109.956 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.64 -31.71 72.56 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.933 0.493 . . . . 5.08 111.662 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 114' ' ' ILE . 82.8 t -63.57 -50.36 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.054 0.941 . . . . 5.65 110.287 175.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.8 p -69.26 -28.93 66.75 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.697 -0.683 . . . . 10.21 111.281 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -71.88 -24.45 61.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.526 0.731 . . . . 6.99 110.649 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.86 11.17 71.35 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 119.174 -0.792 . . . . 7.43 113.778 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 20.1 m 68.94 13.7 8.83 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.86 1.264 . . . . 18.26 111.368 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -93.59 146.23 31.41 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 109.018 -0.734 . . . . 10.7 109.018 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.65 ' HG3' HE21 ' D' ' 37' ' ' GLN . 38.7 Cg_endo -63.67 151.86 83.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.973 2.448 . . . . 20.06 112.21 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -51.74 127.17 19.95 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.263 1.025 . . . . 16.85 112.159 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 51.3 tp -107.62 115.88 30.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.476 0.711 . . . . 14.84 109.541 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.459 ' ND2' HD12 ' B' ' 16' ' ' ILE . 28.4 t-20 -111.62 109.65 19.66 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.193 0.597 . . . . 76.73 109.836 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.539 HD11 HD12 ' D' ' 114' ' ' ILE . 52.3 mt -75.73 116.19 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.761 0.824 . . . . 20.32 110.108 174.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' E' ' 125' ' ' ALA . . . -71.87 132.28 85.04 Favored Pre-proline 0 CA--C 1.558 1.257 0 CA-C-O 118.914 -0.565 . . . . 28.37 111.407 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.411 ' HG3' HH12 ' D' ' 111' ' ' ARG . 83.8 Cg_exo -48.78 137.29 27.39 Favored 'Trans proline' 0 C--N 1.389 2.68 0 C-N-CA 123.915 3.077 . . . . 32.68 113.914 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.462 HG21 HG22 ' E' ' 121' ' ' VAL . 12.0 p -139.71 149.53 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.432 0.693 . . . . 69.78 110.291 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.401 ' HB3' ' H ' ' D' ' 135' ' ' ALA . 37.4 m-80 -71.53 112.08 7.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.754 0.821 . . . . 99.99 110.536 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.02 -17.2 61.01 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.238 0.542 . . . . 99.99 109.748 166.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.4 -59.21 5.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.644 1.178 . . . . 99.99 109.969 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' D' ' 138' ' ' MET . . . -63.51 -29.66 70.89 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.025 0.93 . . . . 99.99 111.701 -177.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.462 HD11 HD22 ' D' ' 44' ' ' LEU . 1.1 tt -62.6 -41.38 98.93 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.101 1.361 . . . . 99.99 110.13 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -77.35 -31.03 54.14 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 114.33 -1.305 . . . . 99.99 111.43 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' D' ' 135' ' ' ALA . 21.8 mmt -54.63 -28.08 44.2 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.106 0.962 . . . . 99.99 113.111 -174.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -49.44 -50.94 38.7 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.455 1.102 . . . . 99.99 111.279 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -53.82 -31.64 49.88 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.628 1.171 . . . . 99.99 113.052 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.78 -38.48 46.59 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.995 -0.548 . . . . 99.99 110.367 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -94.04 -0.09 55.65 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 113.733 1.012 . . . . 99.99 113.733 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -119.41 99.69 6.84 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -136.71 -18.16 1.42 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.802 -0.635 . . . . 99.99 110.753 -171.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -160.94 -28.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.844 0.858 . . . . 99.99 110.014 168.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 177.95 -104.43 0.19 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 109.988 -1.245 . . . . 99.99 109.988 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.93 106.85 1.07 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.64 0.776 . . . . 99.99 110.034 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.52 110.48 2.07 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-O 119.888 -0.396 . . . . 99.99 113.571 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 59.9 p 56.6 22.64 6.88 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.45 1.5 . . . . 99.99 114.082 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -30.85 9.52 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.188 0.995 . . . . 99.99 110.764 176.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -177.52 -51.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.547 1.539 . . . . 99.99 107.05 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -83.48 72.47 10.26 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.756 -0.831 . . . . 99.99 108.756 171.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -83.65 71.58 10.37 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 107.666 -1.235 . . . . 99.99 107.666 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -167.19 147.96 5.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.02 -1.445 . . . . 99.99 108.724 -172.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 174.217 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tmm? . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.844 -0.799 . . . . 99.99 108.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.3 136.16 39.6 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.428 0.691 . . . . 99.99 111.957 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' E' ' 308' ' ' CYS . 3.9 pt20 -105.43 -9.59 17.44 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.828 0.851 . . . . 99.99 112.257 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -80.27 -1.28 40.12 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.431 0.692 . . . . 99.99 112.844 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.462 ' O ' ' HE2' ' E' ' 303' ' ' LYS . 86.8 m -121.54 121.23 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.947 -1.131 . . . . 99.99 107.947 173.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' B' ' 128' ' ' LEU . 48.4 mm 66.49 144.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 124.543 1.137 . . . . 99.99 111.283 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.768 ' HB3' ' HB3' ' B' ' 42' ' ' LEU . . . -150.32 127.24 11.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.698 0.399 . . . . 99.99 110.447 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.529 ' HA ' HD11 ' B' ' 44' ' ' LEU . 41.4 tp 171.41 109.23 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 O-C-N 125.506 1.754 . . . . 99.99 107.548 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.62 166.08 2.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.187 0.995 . . . . 99.99 110.579 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.82 -56.04 0.31 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.674 1.589 . . . . 99.99 111.96 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.655 HD12 HD23 ' B' ' 44' ' ' LEU . 5.9 mp 68.33 166.26 0.12 Allowed Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 123.975 0.91 . . . . 99.99 109.583 -169.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.6 -68.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 121.407 1.404 . . . . 99.99 110.941 168.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -179.85 92.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 106.199 -1.778 . . . . 99.99 106.199 174.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 67.4 tp 71.49 123.76 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 O-C-N 124.443 1.09 . . . . 99.99 111.053 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.43 1.19 52.24 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.143 0.794 . . . . 99.99 113.143 -173.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -164.29 123.51 1.28 Allowed Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 122.736 0.415 . . . . 99.99 111.035 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -84.19 63.75 6.91 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.978 2.452 . . . . 99.99 112.177 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.691 HG11 HG12 ' B' ' 86' ' ' ILE . 27.5 m -76.33 76.38 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 122.942 1.353 . . . . 99.99 112.336 -174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.1 p -86.9 -175.1 5.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.518 -1.219 . . . . 99.99 110.804 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.584 ' HZ2' ' HB2' ' E' ' 20' ' ' LYS . 8.1 mtmp? 76.33 -68.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.071 1.748 . . . . 99.99 110.787 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.75 ' HA ' ' HB1' ' B' ' 87' ' ' ALA . . . 67.6 85.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.626 1.171 . . . . 99.99 112.338 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -76.35 96.47 4.01 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.944 0.498 . . . . 99.99 110.466 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -132.7 105.02 12.92 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 123.97 0.908 . . . . 99.99 109.007 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.79 120.64 5.9 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 121.423 1.416 . . . . 99.99 110.819 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.2 -150.38 0.23 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.221 1.008 . . . . 99.99 110.576 -174.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . 0.563 ' H ' ' HD2' ' E' ' 27' ' ' PRO . 59.7 mtt -125.91 -50.03 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.275 0 CA-C-O 117.706 -1.14 . . . . 99.99 111.946 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.563 ' HD2' ' H ' ' E' ' 26' ' ' MET . 56.8 Cg_endo -69.86 81.94 0.81 Allowed 'Trans proline' 0 C--N 1.398 3.146 0 CA-C-N 121.753 1.662 . . . . 99.99 111.711 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -93.96 -178.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.922 1.289 . . . . 99.99 110.652 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 71.57 -69.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.218 1.407 . . . . 99.99 110.861 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 58.72 -86.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.479 1.112 . . . . 99.99 111.944 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -120.86 57.72 0.97 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.928 0.891 . . . . 99.99 109.041 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' E' ' 32' ' ' ARG . 1.8 mmp_? -115.42 114.86 25.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.545 0.738 . . . . 99.99 109.791 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' E' ' 63' ' ' PRO . . . -82.78 73.23 9.83 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.156 -1.053 . . . . 99.99 108.156 171.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.64 -97.68 0.08 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 124.559 1.144 . . . . 99.99 111.015 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 46.78 50.02 13.73 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 125.151 1.381 . . . . 99.99 113.098 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.43 -110.09 0.07 OUTLIER Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.564 -0.744 . . . . 99.99 111.643 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . 0.436 ' O ' HG12 ' E' ' 38' ' ' ILE . 36.8 t70 -74.78 153.86 38.59 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.345 0.572 . . . . 99.99 109.501 171.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.436 HG12 ' O ' ' E' ' 37' ' ' ASP 0.26 4.1 pt 66.3 -9.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 C-N-CA 127.756 2.422 . . . . 99.99 114.39 -174.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m 56.89 -82.76 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.946 1.298 . . . . 99.99 112.353 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.95 96.87 0.86 Allowed Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.444 1.098 . . . . 99.99 109.377 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 -5.37 14.97 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.075 1.85 . . . . 99.99 113.178 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.63 -46.17 2.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 111.453 -0.659 . . . . 99.99 111.453 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.92 -150.84 22.97 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 110.144 -1.183 . . . . 99.99 110.144 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -143.33 -93.05 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.98 -0.748 . . . . 99.99 108.98 172.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . 0.445 ' HA ' ' CH2' ' D' ' 36' ' ' TRP . 2.0 tmt_? 55.99 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.77 1.228 . . . . 99.99 110.321 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.13 -55.4 0.28 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.586 1.155 . . . . 99.99 108.812 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -9.5 59.79 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.875 0.87 . . . . 99.99 111.98 -170.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.9 m 74.0 -64.67 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.716 1.607 . . . . 99.99 110.572 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.24 -154.98 14.68 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 111.259 -0.736 . . . . 99.99 111.259 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.49 -96.5 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.262 1.425 . . . . 99.99 112.201 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -17.49 64.16 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.579 1.151 . . . . 99.99 111.307 -169.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 65.2 p -63.33 -52.68 60.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.362 0.665 . . . . 99.99 111.63 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.11 -57.59 2.58 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.573 0.349 . . . . 99.99 110.533 174.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 169.32 162.73 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.12 1.768 . . . . 99.99 108.158 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.86 80.53 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 122.546 1.165 . . . . 99.99 112.486 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -133.27 137.08 45.89 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.931 1.292 . . . . 99.99 107.908 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.0 171.19 12.29 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 123.809 0.693 . . . . 99.99 111.032 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m 66.38 -102.38 0.08 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 125.387 1.475 . . . . 99.99 111.3 -177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.33 179.45 5.46 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.862 0.865 . . . . 99.99 110.571 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -145.36 -78.03 0.19 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 107.484 -1.302 . . . . 99.99 107.484 167.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t70 56.83 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.707 1.603 . . . . 99.99 113.976 168.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 6.22 88.28 0.04 OUTLIER Pre-proline 0 N--CA 1.506 2.359 0 C-N-CA 128.172 2.589 . . . . 99.99 116.92 -172.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' E' ' 33' ' ' ALA . 15.5 Cg_exo -72.33 160.22 47.52 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.985 3.123 . . . . 99.99 112.723 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.14 -66.12 0.93 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.544 0.737 . . . . 99.99 111.298 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -78.55 92.07 4.64 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 121.799 0.809 . . . . 99.99 111.126 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -80.25 147.97 30.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.135 -1.431 . . . . 99.99 107.135 162.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 7.5 tt -51.23 -39.38 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.738 0.815 . . . . 99.99 111.497 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm 74.84 -52.88 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.906 1.682 . . . . 99.99 111.202 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 tp 84.86 -24.32 0.15 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.988 1.715 . . . . 99.99 112.679 173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.37 86.03 0.28 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.349 0.66 . . . . 99.99 109.69 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 mm -96.9 142.0 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.848 0.859 . . . . 99.99 109.946 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.97 -43.03 1.27 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 110.604 -0.998 . . . . 99.99 110.604 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -174.25 -168.18 0.38 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.672 1.589 . . . . 99.99 108.577 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.07 78.44 0.38 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.426 -1.069 . . . . 99.99 110.426 171.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 24.4 mmt -133.7 109.26 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.345 1.058 . . . . 99.99 108.503 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 131.02 10.46 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.536 0.523 . . . . 99.99 112.347 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.9 128.56 40.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.016 0.927 . . . . 99.99 109.68 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -76.89 -23.81 52.55 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.52 0.728 . . . . 99.99 111.807 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -85.41 -50.56 7.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.39 0.676 . . . . 99.99 110.712 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mm 67.43 151.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.884 1.274 . . . . 99.99 110.856 -174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m 73.36 146.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.756 1.222 . . . . 99.99 111.455 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 74.16 -0.05 3.46 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.582 1.553 . . . . 99.99 113.249 171.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 143.95 36.75 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.097 0.559 . . . . 99.99 110.771 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.03 162.32 18.36 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.599 0.76 . . . . 99.99 109.63 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -166.98 -45.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.854 0.862 . . . . 99.99 109.937 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -65.58 105.48 1.22 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.693 -0.685 . . . . 99.99 110.955 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.86 178.37 6.05 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.728 0.811 . . . . 99.99 110.757 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . 0.481 ' HG3' ' HG3' ' B' ' 142' ' ' GLN . 0.1 OUTLIER -93.26 179.21 5.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.78 0.832 . . . . 99.99 111.487 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.91 140.06 6.19 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.258 -0.883 . . . . 99.99 112.52 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.18 -50.27 8.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.258 0.623 . . . . 99.99 111.082 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' H ' ' D' ' 11' ' ' PHE . . . 84.75 119.2 0.85 Allowed Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.233 -0.439 . . . . 99.99 112.886 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . 0.447 ' H ' ' HB ' ' D' ' 10' ' ' THR . . . 154.6 -179.62 30.58 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 116.902 0.351 . . . . 99.99 113.009 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' D' ' 55' ' ' VAL . 21.2 m-85 -91.42 106.5 18.54 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.987 0.915 . . . . 99.99 109.705 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . 0.568 ' HD2' HG21 ' D' ' 10' ' ' THR . 92.5 m-85 -142.45 160.16 40.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.941 0.897 . . . . 99.99 109.566 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 110.65 12.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 170.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . 0.688 ' HA3' ' H ' ' D' ' 88' ' ' GLY . . . -134.29 -24.89 0.61 Allowed Glycine 0 N--CA 1.463 0.465 0 CA-C-N 115.484 -0.78 . . . . 99.99 111.159 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.557 HG23 ' SD ' ' D' ' 94' ' ' MET . 36.8 mt -108.83 -40.12 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 124.23 1.012 . . . . 99.99 109.416 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t70 82.03 0.65 1.44 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 126.505 1.922 . . . . 99.99 112.947 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.36 -61.56 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.03 0.532 . . . . 99.99 110.725 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' D' ' 56' ' ' TYR . 30.7 tp 67.77 72.45 0.38 Allowed Pre-proline 0 CA--C 1.55 0.949 0 O-C-N 124.995 1.435 . . . . 99.99 110.735 -170.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.34 92.87 0.48 Allowed 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.316 2.01 . . . . 99.99 111.373 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.57 82.9 1.52 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p 39.46 -78.12 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.481 1.912 . . . . 99.99 113.969 174.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.15 42.3 0.12 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.442 -1.063 . . . . 99.99 110.442 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 68.68 135.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.187 1.395 . . . . 99.99 109.947 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 79.41 161.45 0.19 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.534 1.534 . . . . 99.99 109.695 -167.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 10.3 m -66.76 -13.27 61.23 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.41 1.084 . . . . 99.99 112.842 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 61.1 t60 76.26 -53.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 126.272 1.829 . . . . 99.99 110.267 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -71.43 141.62 50.27 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.463 0.705 . . . . 99.99 110.091 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.26 -6.74 51.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.663 0.785 . . . . 99.99 112.157 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 13.1 tp 75.8 154.06 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.197 1.799 . . . . 99.99 108.962 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -63.32 96.81 0.11 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.563 0.697 . . . . 99.99 111.6 -171.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.49 -58.44 1.91 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.103 -1.443 . . . . 99.99 107.103 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 67.5 -83.27 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.917 1.687 . . . . 99.99 110.601 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 41.8 m -125.95 12.48 7.82 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.03 0.919 . . . . 99.99 109.209 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 55.84 15.94 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.371 -0.831 . . . . 99.99 111.687 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -76.08 138.42 68.79 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.252 0.621 . . . . 99.99 110.435 -174.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.46 62.9 7.81 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.938 2.425 . . . . 99.99 110.598 172.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -95.8 -47.36 6.2 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.237 1.015 . . . . 99.99 110.905 -167.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.86 172.76 11.27 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.615 0.766 . . . . 99.99 110.575 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.627 HG11 HD21 ' D' ' 44' ' ' LEU . 11.7 t 54.75 69.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.945 1.298 . . . . 99.99 110.939 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 89.7 m -142.29 -59.18 0.45 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.201 -0.909 . . . . 99.99 108.914 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.48 125.31 23.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.065 0.946 . . . . 99.99 110.943 -175.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 20.0 m -86.49 128.97 35.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.743 0.817 . . . . 99.99 109.96 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' D' ' 129' ' ' ALA . . . -100.64 -179.24 4.03 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 99.99 110.118 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' D' ' 127' ' ' ASN . . . 70.78 130.16 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.406 1.483 . . . . 96.83 111.098 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 16.1 m -66.15 90.75 0.15 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.383 1.073 . . . . 99.99 111.782 -173.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.57 133.13 35.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.363 1.065 . . . . 74.48 109.979 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.536 ' HB ' HH22 ' B' ' 15' ' ' ARG . 6.8 m -143.75 176.76 8.99 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 83.2 172.62 0.09 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.259 1.424 . . . . 99.99 112.043 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -157.59 -79.8 0.07 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.791 -1.189 . . . . 99.99 107.791 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 79.3 p -164.75 152.39 11.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.543 0.737 . . . . 99.99 110.748 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -100.23 126.92 46.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.531 -1.285 . . . . 99.99 107.531 164.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.26 175.93 35.19 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.556 0.535 . . . . 89.58 113.739 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.21 -23.61 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 99.99 110.89 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? 79.1 -62.08 0.32 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.704 1.602 . . . . 99.99 111.657 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 96.5 m -135.12 115.54 13.53 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.436 0.694 . . . . 99.99 110.191 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.02 145.62 53.39 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.225 0.61 . . . . 99.99 110.742 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.73 141.77 19.29 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 107.035 -1.469 . . . . 99.99 107.035 164.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.62 94.87 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 123.541 0.525 . . . . 99.99 112.399 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.85 -89.76 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.007 1.323 . . . . 99.99 111.329 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.2 75.62 7.79 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 107.48 -1.304 . . . . 99.99 107.48 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -104.67 -146.16 14.94 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.293 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.06 100.59 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -86.14 151.74 23.41 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.256 0.623 . . . . 99.99 109.436 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . 0.637 ' H ' HD13 ' E' ' 146' ' ' ILE . 0.2 OUTLIER -107.24 121.35 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.848 0.459 . . . . 99.99 110.1 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -140.6 118.24 11.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 171.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.1 88.95 2.45 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 124.112 0.882 . . . . 99.99 110.112 -168.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.726 ' H ' ' HG2' ' A' ' 150' ' ' GLU . 52.5 tptt -80.31 98.3 7.37 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 172.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.85 106.71 17.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.984 -0.747 . . . . 99.99 108.984 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 50.77 82.74 0.24 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 124.91 1.284 . . . . 99.99 112.855 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.09 173.06 15.11 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 122.217 1.945 . . . . 99.99 111.021 167.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 4.2 m -77.73 88.05 3.99 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.011 -1.107 . . . . 99.99 108.011 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.5 -21.03 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.045 0.938 . . . . 99.99 110.1 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 25.4 tp -74.51 -15.12 60.88 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.76 0.824 . . . . 99.99 111.35 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -88.58 64.05 7.24 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 122.578 1.18 . . . . 99.99 110.103 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 8' ' ' GLU . 23.9 ptt? -160.19 123.74 3.56 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 106.116 -1.809 . . . . 99.99 106.116 172.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.19 94.96 0.55 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.438 -0.346 . . . . 99.99 110.344 -176.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -22.55 65.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.715 -0.675 . . . . 99.99 109.329 169.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.91 -48.24 82.74 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.87 0.868 . . . . 99.99 110.068 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.14 -161.65 0.16 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.583 1.153 . . . . 99.99 112.489 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -95.38 59.75 1.59 Allowed Glycine 0 C--N 1.342 0.909 0 N-CA-C 111.388 -0.685 . . . . 99.99 111.388 171.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.63 89.88 4.55 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.952 -1.129 . . . . 99.99 107.952 175.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -92.06 107.55 19.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.784 0.834 . . . . 99.99 110.014 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 70.2 p 49.04 92.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.765 1.626 . . . . 99.99 113.925 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -158.87 135.32 4.16 Favored Glycine 0 C--N 1.342 0.894 0 N-CA-C 110.892 -0.883 . . . . 99.99 110.892 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . 0.501 HD22 ' HA ' ' E' ' 364' ' ' THR . 3.9 m-20 60.78 27.1 16.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 124.342 1.057 . . . . 99.99 111.601 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.94 -20.21 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 124.46 1.104 . . . . 99.99 111.913 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . 0.603 ' HB2' ' HG2' ' E' ' 243' ' ' GLN . 33.3 t -56.27 -60.79 2.99 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.631 0.772 . . . . 99.99 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . 0.445 HG22 ' H ' ' E' ' 171' ' ' ALA . 6.1 m 61.06 -179.43 0.11 Allowed 'General case' 0 CA--C 1.572 1.812 0 O-C-N 124.645 1.215 . . . . 99.99 109.869 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . 0.445 ' H ' HG22 ' E' ' 170' ' ' THR . . . 74.68 -67.69 0.24 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.797 1.239 . . . . 99.99 113.056 170.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -90.66 138.64 31.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 99.99 110.201 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.28 158.67 35.47 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.077 1.14 . . . . 99.99 114.077 -166.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.584 ' HB2' ' HA ' ' E' ' 365' ' ' VAL . 0.5 OUTLIER -92.7 96.63 10.29 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.89 -1.522 . . . . 99.99 106.89 172.145 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -119.69 -38.77 2.93 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.093 0.405 . . . . 99.99 112.093 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.3 165.45 20.61 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.049 0.389 . . . . 99.99 112.049 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 39.0 m -68.42 107.86 2.34 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 115.039 -0.982 . . . . 99.99 110.422 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -83.22 29.04 0.56 Allowed 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 123.083 2.522 . . . . 99.99 113.497 -173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -68.27 -53.31 25.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.015 0.926 . . . . 99.99 109.763 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -167.56 114.94 0.76 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.083 -1.08 . . . . 99.99 108.083 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . 0.418 ' HB2' HG21 ' E' ' 371' ' ' VAL . 4.2 pp -144.64 149.88 36.44 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.3 0.572 . . . . 99.99 110.792 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.09 166.73 28.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 C-N-CA 125.561 1.545 . . . . 99.99 107.626 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.02 -61.36 1.78 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.294 1.038 . . . . 99.99 111.876 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -150.61 -60.52 0.19 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.782 1.233 . . . . 99.99 107.919 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 50.2 t 49.89 74.93 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 125.335 1.454 . . . . 99.99 112.299 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 17.6 m -176.88 -45.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.831 2.052 . . . . 99.99 107.306 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 16.7 t 62.86 -157.72 0.33 Allowed 'General case' 0 C--N 1.365 1.244 0 C-N-CA 125.008 1.323 . . . . 99.99 109.27 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 69.91 133.99 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.54 1.136 . . . . 99.99 111.012 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.31 -98.92 0.09 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.963 0.905 . . . . 99.99 109.382 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 63.7 m 47.71 -82.91 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.531 1.532 . . . . 99.99 111.717 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -149.79 -83.02 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.861 -1.903 . . . . 99.99 105.861 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 48.86 -114.81 2.25 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 115.209 0.843 . . . . 99.99 115.209 166.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -83.33 30.72 0.53 Allowed 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.627 2.884 . . . . 99.99 112.969 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 49.4 m -147.07 149.92 34.03 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.04 0.936 . . . . 99.99 109.683 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' E' ' 199' ' ' LYS . . . -86.18 -83.63 0.18 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 170.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 35.2 m 67.07 137.09 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.667 1.187 . . . . 99.99 112.414 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 30.5 m 78.87 -60.41 0.38 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.114 1.366 . . . . 99.99 112.58 170.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.34 -79.05 0.13 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.621 ' HB3' ' HB1' ' E' ' 195' ' ' ALA . 1.6 tmtp? -75.02 116.61 15.95 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 106.62 -1.622 . . . . 99.99 106.62 172.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.684 ' HB3' ' H ' ' E' ' 204' ' ' ALA . 72.4 m 63.84 80.0 0.25 Allowed Pre-proline 0 CA--C 1.557 1.229 0 O-C-N 124.518 1.137 . . . . 99.99 110.835 -171.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.86 128.25 28.29 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.24 2.627 . . . . 99.99 111.535 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 75.21 16.24 80.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.4 -0.667 . . . . 99.99 113.319 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 64.7 t30 54.9 79.53 0.14 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.989 1.316 . . . . 99.99 110.573 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . 0.684 ' H ' ' HB3' ' E' ' 200' ' ' CYS . . . 74.42 -3.55 2.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.371 1.468 . . . . 99.99 112.112 -172.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 2.3 tt 61.63 88.23 0.09 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.33 1.452 . . . . 99.99 110.669 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -142.57 15.39 1.99 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.647 -0.706 . . . . 99.99 109.772 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -150.04 -88.51 0.07 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 108.569 -0.9 . . . . 99.99 108.569 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 154.97 155.81 7.47 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 111.595 -0.602 . . . . 99.99 111.595 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 66.06 -101.31 0.59 Allowed Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.085 -0.406 . . . . 99.99 112.085 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -83.84 -42.7 16.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.504 0.722 . . . . 99.99 109.454 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 65.39 -151.31 51.71 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.838 -0.979 . . . . 99.99 111.18 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.6 t 72.12 -25.32 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.04 1.336 . . . . 99.99 114.342 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 1.8 mp 80.18 -31.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 125.158 1.383 . . . . 99.99 112.675 168.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 42.3 p -73.87 -12.49 60.69 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.063 0.945 . . . . 99.99 112.95 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.11 -32.01 33.38 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 125.625 1.57 . . . . 99.99 113.9 -164.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.3 -10.95 60.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.934 1.087 . . . . 99.99 113.934 -173.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 1.4 pp -41.25 68.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.144 2.177 . . . . 99.99 116.161 -171.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -111.43 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 105.214 -2.143 . . . . 99.99 105.214 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 171.52 -69.83 0.01 OUTLIER 'General case' 0 C--N 1.364 1.239 0 C-N-CA 124.32 1.048 . . . . 99.99 109.399 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.24 -36.46 24.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.775 0.83 . . . . 99.99 111.976 -172.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -72.51 93.96 1.63 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.091 0.556 . . . . 99.99 110.031 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -164.14 -51.92 0.03 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.164 0.986 . . . . 99.99 108.955 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.95 -153.83 0.33 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.613 1.195 . . . . 99.99 110.651 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' E' ' 402' ' ' ASP . 19.6 m -98.38 140.69 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.378 0.671 . . . . 99.99 109.458 172.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.8 t -64.83 142.19 58.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.175 0.59 . . . . 99.99 111.097 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.97 -50.29 56.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.905 0.882 . . . . 99.99 109.838 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -170.83 -133.17 1.57 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.674 -0.694 . . . . 99.99 111.933 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -127.45 -16.4 2.31 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 119.595 -0.558 . . . . 99.99 113.659 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -65.48 -58.35 9.57 Favored Glycine 0 C--N 1.354 1.548 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.42 -95.36 0.05 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.984 1.314 . . . . 99.99 112.929 167.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -66.79 -48.49 68.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.644 0.778 . . . . 99.99 111.072 -173.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 6.0 m 54.25 14.53 0.77 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.543 1.537 . . . . 99.99 113.708 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 54.47 23.48 4.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.946 0.899 . . . . 99.99 110.799 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -115.3 7.32 15.15 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.843 1.257 . . . . 99.99 111.205 -171.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.69 -150.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.643 0.777 . . . . 99.99 110.682 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 22.6 m 74.74 8.16 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.422 1.089 . . . . 99.99 111.606 175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.62 -35.34 80.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.9 0.88 . . . . 99.99 110.893 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 41.6 m 78.04 -52.46 0.51 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.86 1.664 . . . . 99.99 113.469 171.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 79.07 -40.62 0.25 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.933 1.693 . . . . 99.99 112.189 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 70.2 21.28 77.1 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 119.7 -0.5 . . . . 99.99 113.359 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 64.74 108.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.476 1.51 . . . . 99.99 111.515 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -144.1 140.02 29.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.106 0.562 . . . . 99.99 109.869 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.603 ' HG2' ' HB2' ' E' ' 169' ' ' SER . 53.8 tp60 71.07 155.95 0.15 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.134 1.374 . . . . 99.99 112.657 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 85.31 -171.74 46.3 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-N 115.459 -0.792 . . . . 99.99 113.328 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 60.66 89.12 0.08 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.754 1.221 . . . . 99.99 110.61 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.8 t -158.73 167.04 30.56 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.563 -167.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 -16.7 61.7 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.514 1.125 . . . . 99.99 111.547 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -58.85 -11.65 3.52 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.681 1.193 . . . . 99.99 112.972 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.79 -17.05 0.09 Allowed 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.439 1.896 . . . . 99.99 115.338 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.91 -18.14 62.67 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.286 0.948 . . . . 99.99 112.334 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -73.78 -15.33 61.2 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.093 0.957 . . . . 99.99 112.924 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -19.37 64.27 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.133 0.573 . . . . 99.99 112.09 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -70.19 -4.36 21.23 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.509 0.724 . . . . 99.99 112.817 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -86.87 -31.14 20.93 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.732 0.813 . . . . 99.99 110.069 168.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 78.79 -74.99 2.07 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 115.837 -0.619 . . . . 99.99 112.47 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -85.05 142.58 29.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.922 -0.77 . . . . 99.99 108.922 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -65.19 -37.09 86.24 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.316 1.046 . . . . 99.99 112.002 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.04 5.57 48.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.785 0.661 . . . . 99.99 112.785 -171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 76.7 t -81.78 117.7 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 171.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.2 t 65.58 21.32 11.71 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.66 1.184 . . . . 99.99 111.394 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.54 150.26 34.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.981 0.912 . . . . 99.99 110.237 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -85.46 -28.63 24.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.16 0.984 . . . . 99.99 111.735 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -76.3 -36.36 58.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.144 0.578 . . . . 99.99 110.541 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 48.8 m -75.68 -52.42 10.54 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.71 0.804 . . . . 99.99 110.073 173.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 tt 61.58 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 99.99 110.314 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 76.12 -44.66 0.5 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 125.852 1.661 . . . . 99.99 113.669 176.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 20.4 t 71.49 178.75 0.25 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.171 1.388 . . . . 99.99 111.259 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.35 132.87 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.177 0.591 . . . . 99.99 110.514 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 7.8 t -93.1 133.66 36.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.076 0.551 . . . . 99.99 110.673 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 2.44 36.18 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.555 1.142 . . . . 99.99 110.932 174.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -68.65 -20.44 64.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.616 0.766 . . . . 99.99 111.917 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.508 ' HA ' ' HG3' ' C' ' 143' ' ' GLN . 25.6 t-20 -60.79 -32.75 72.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.305 1.042 . . . . 99.99 112.231 -176.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.719 ' HG2' ' HB1' ' C' ' 95' ' ' ALA . 21.4 mp0 -91.68 142.05 28.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.535 0.734 . . . . 99.99 110.091 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -129.66 -40.89 1.37 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.909 0.484 . . . . 99.99 110.193 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -109.61 125.83 30.45 Favored Pre-proline 0 N--CA 1.48 1.045 0 N-CA-C 109.408 -0.59 . . . . 99.99 109.408 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.48 ' HB2' ' SD ' ' C' ' 94' ' ' MET . 98.4 Cg_endo -78.09 -23.37 9.15 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.733 2.289 . . . . 99.99 113.185 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.72 70.23 10.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.882 0.473 . . . . 99.99 110.087 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.72 -165.06 0.21 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.286 1.035 . . . . 99.99 111.618 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 77.66 12.06 84.85 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 120.167 -0.241 . . . . 99.99 113.28 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.456 HD12 ' HG3' ' E' ' 273' ' ' GLN . 3.1 tm? -162.34 128.28 3.49 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.649 -1.611 . . . . 99.99 106.649 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -164.86 -72.19 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.833 -0.803 . . . . 99.99 108.833 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -133.59 96.76 3.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.638 0.775 . . . . 99.99 109.095 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 129.64 54.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.99 0.916 . . . . 99.99 109.785 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 75.9 8.3 84.63 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.864 0.728 . . . . 99.99 113.96 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 57.19 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.182 1.393 . . . . 99.99 111.476 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 61.9 mtt -64.55 131.31 95.06 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.365 0.666 . . . . 99.99 110.986 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.39 88.03 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.373 2.048 . . . . 99.99 111.343 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.29 102.4 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.952 -1.022 . . . . 99.99 109.099 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -69.04 139.05 54.89 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.195 0.598 . . . . 99.99 110.196 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.616 ' HH2' HD11 ' C' ' 126' ' ' LEU . 89.6 m95 -69.47 133.81 48.17 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.669 0.606 . . . . 99.99 110.443 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' C' ' 129' ' ' ALA . 4.5 mp -85.15 -20.56 30.07 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.328 1.051 . . . . 99.99 110.656 -175.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -175.78 74.62 0.08 OUTLIER Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.943 -0.863 . . . . 99.99 110.943 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.7 137.12 17.74 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.702 2.268 . . . . 99.99 113.103 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -112.56 161.34 16.89 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.497 1.119 . . . . 99.99 108.167 171.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -71.44 95.22 1.34 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.544 -0.909 . . . . 99.99 108.544 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.537 HG21 ' HB2' ' C' ' 126' ' ' LEU . 21.3 m -81.32 66.53 6.9 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.035 0.921 . . . . 99.99 111.15 -174.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -178.26 110.95 0.06 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.657 -1.611 . . . . 99.99 107.404 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . 0.449 ' H ' ' HG3' ' C' ' 124' ' ' PRO . 49.5 t-80 175.52 123.74 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.165 1.386 . . . . 99.99 107.986 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 160.32 175.93 31.85 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 121.602 -0.332 . . . . 99.99 113.505 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 109.55 13.89 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 171.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.38 -35.41 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.406 1.082 . . . . 99.99 110.798 -171.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -144.65 132.63 21.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.999 0.919 . . . . 99.99 109.654 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' E' ' 5' ' ' THR . 7.6 mtmp? -141.65 125.6 10.07 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 123.863 0.865 . . . . 99.99 109.396 173.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.54 ' HA ' ' HG2' ' D' ' 14' ' ' GLN . 38.0 Cg_endo -62.87 93.88 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.775 2.316 . . . . 99.99 112.202 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . 72.99 153.37 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.297 1.439 . . . . 99.99 112.396 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.414 HG11 HG22 ' E' ' 6' ' ' ILE . 91.0 t -121.87 111.83 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.894 0.878 . . . . 99.99 109.143 173.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 4.2 p -135.41 110.35 8.79 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.968 -0.752 . . . . 99.99 108.968 170.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' E' ' 7' ' ' ALA . 8.7 p 179.04 164.76 0.89 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.013 0.925 . . . . 99.99 112.075 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 4.0 t -168.89 102.83 0.5 Allowed Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 125.173 1.389 . . . . 99.99 109.547 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . 0.412 ' HG2' ' HA ' ' B' ' 41' ' ' LYS . 31.7 Cg_exo -64.64 -169.69 0.12 Allowed 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.319 2.68 . . . . 99.99 113.365 169.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -143.37 146.62 36.79 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.032 0.933 . . . . 99.99 108.506 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -64.42 154.01 73.87 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 122.053 1.835 . . . . 99.99 111.673 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -70.13 -21.85 63.06 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.364 0.666 . . . . 99.99 111.039 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -163.12 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.695 -1.224 . . . . 99.99 107.695 171.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -137.67 -31.05 0.8 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.449 1.1 . . . . 99.99 108.354 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 68.29 22.06 8.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.132 1.373 . . . . 99.99 112.067 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 22.0 t -86.11 137.11 32.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.606 0.763 . . . . 99.99 109.399 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 26' ' ' PRO . 3.9 m -122.05 150.75 57.11 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 124.591 1.156 . . . . 99.99 110.762 -170.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.9 125.05 16.2 Favored 'Trans proline' 0 C--N 1.39 2.725 0 C-N-CA 123.352 2.701 . . . . 99.99 111.961 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.37 5.88 4.54 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.499 1.519 . . . . 99.99 112.677 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' B' ' 24' ' ' GLU . 77.5 mt 67.9 -69.52 0.14 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.313 1.445 . . . . 99.99 111.751 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 19' ' ' LYS . . . -85.56 -40.81 15.88 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.846 0.858 . . . . 99.99 111.958 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.556 HE22 ' HD3' ' A' ' 19' ' ' LYS . 43.3 mm-40 -99.16 -116.21 0.15 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 122.916 0.486 . . . . 99.99 111.023 -168.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.3 ptp -176.54 -33.59 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.646 1.178 . . . . 99.99 109.354 -171.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 40.5 p -100.8 99.73 10.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.45 1.1 . . . . 99.99 108.882 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.48 -28.88 67.42 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.309 0.855 . . . . 99.99 113.309 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -167.69 -174.46 2.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 107.708 -1.219 . . . . 99.99 107.708 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.21 11.42 0.16 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.379 1.072 . . . . 99.99 113.773 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.441 HD12 ' N ' ' E' ' 330' ' ' GLU . 2.4 pp -48.29 -32.25 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 126.057 1.743 . . . . 99.99 115.245 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.441 ' N ' HD12 ' E' ' 329' ' ' ILE . 33.0 tt0 -87.11 -32.07 20.1 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.367 0.531 . . . . 99.99 110.577 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.528 HD12 HG23 ' E' ' 458' ' ' THR . 3.0 tm? -64.13 -35.83 82.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.431 0.692 . . . . 99.99 109.536 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 94.3 mt -87.94 9.32 22.58 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.426 0.898 . . . . 99.99 113.426 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 55.4 p -68.33 -64.79 0.79 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.622 0.369 . . . . 99.99 110.455 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 23.08 0.49 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.275 1.03 . . . . 99.99 109.788 168.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 59.9 t30 71.96 105.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.668 1.587 . . . . 99.99 111.028 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.403 ' HB2' ' HE2' ' E' ' 337' ' ' LYS . 11.1 mm-40 -97.34 -37.97 9.83 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.507 0.67 . . . . 99.99 110.195 175.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' E' ' 336' ' ' GLU . 53.8 mmtt -98.63 -27.72 13.87 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.072 -0.967 . . . . 99.99 112.035 -159.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.43 41.83 3.1 Favored Glycine 0 N--CA 1.475 1.237 0 N-CA-C 114.399 0.52 . . . . 99.99 114.399 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -162.73 17.22 0.08 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.447 1.099 . . . . 99.99 109.777 169.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -75.67 159.75 30.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.75 0.82 . . . . 99.99 111.513 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.63 126.97 31.37 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.495 1.118 . . . . 99.99 111.265 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.59 31.1 0.81 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.834 1.254 . . . . 99.99 109.658 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.76 144.9 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 124.344 1.058 . . . . 99.99 111.408 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . 0.559 ' HB3' ' HG3' ' A' ' 90' ' ' GLU . 10.3 pt-20 -93.52 147.91 22.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.945 0.898 . . . . 99.99 109.821 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -169.38 59.45 0.19 Allowed Glycine 0 C--N 1.343 0.969 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -70.36 106.81 3.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.358 0.663 . . . . 99.99 110.366 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 22.0 p -148.82 68.0 1.06 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.525 0.678 . . . . 99.99 109.86 -175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.44 97.91 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.611 -0.885 . . . . 99.99 108.611 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.0 102.47 10.22 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.061 -1.089 . . . . 99.99 108.061 165.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 47.71 48.54 17.26 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.752 1.221 . . . . 99.99 111.783 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -71.45 -5.45 32.99 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.71 0.634 . . . . 99.99 112.71 -169.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -83.53 41.35 0.78 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.833 1.253 . . . . 99.99 110.802 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -54.14 -24.7 18.89 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.734 1.614 . . . . 99.99 114.317 -173.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -72.76 88.41 1.31 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.43 0.692 . . . . 99.99 109.814 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.57 -24.89 0.21 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.677 1.591 . . . . 99.99 113.565 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 21.6 m120 59.09 87.15 0.14 Allowed Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.067 1.347 . . . . 99.99 110.629 -167.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.33 -30.21 45.26 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.797 2.331 . . . . 99.99 111.896 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.8 p 49.55 -79.86 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.157 1.783 . . . . 99.99 113.338 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -69.35 -33.54 73.13 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.651 -0.527 . . . . 99.99 112.655 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 77.27 -53.17 0.55 Allowed 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 126.358 1.863 . . . . 99.99 112.694 175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.467 HD12 ' HB ' ' E' ' 364' ' ' THR . 40.0 pt -62.54 -14.97 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.862 1.265 . . . . 99.99 113.833 -169.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 57.36 52.89 48.93 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.306 0.379 . . . . 99.99 112.502 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' E' ' 365' ' ' VAL . 38.8 mt-10 66.97 14.7 9.94 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.031 1.333 . . . . 99.99 112.095 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . 0.501 ' HA ' HD22 ' E' ' 167' ' ' ASN . 6.6 t 50.39 34.56 9.3 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 126.603 1.961 . . . . 99.99 113.315 -173.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' E' ' 174' ' ' GLN . 35.8 m -124.2 145.29 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.395 0.678 . . . . 99.99 112.127 -176.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . 0.586 ' HA ' ' HB3' ' E' ' 169' ' ' SER . 1.1 t70 -145.33 -177.28 5.47 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.413 1.085 . . . . 99.99 109.073 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -49.68 -5.16 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 116.864 2.172 . . . . 99.99 116.864 -171.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.479 ' HB2' ' HA ' ' E' ' 174' ' ' GLN . 2.3 m-20 -42.97 -42.26 3.69 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.606 1.562 . . . . 99.99 114.061 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.82 -36.25 75.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.888 -0.507 . . . . 99.99 110.623 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.84 -33.03 72.43 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.171 0.588 . . . . 99.99 111.297 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . 0.447 HG22 ' O ' ' E' ' 368' ' ' ASP . 1.8 m -88.66 -22.9 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.146 0.578 . . . . 99.99 110.94 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.1 -34.7 76.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.354 1.062 . . . . 99.99 111.543 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -22.23 66.69 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.168 0.587 . . . . 99.99 111.508 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -64.26 -22.45 66.95 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.568 0.747 . . . . 99.99 112.547 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.28 -31.88 64.04 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.864 1.266 . . . . 99.99 111.436 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.42 -23.47 66.3 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.281 1.032 . . . . 99.99 112.704 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.07 -18.3 64.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.222 0.609 . . . . 99.99 111.959 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -63.02 -22.31 66.76 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.304 0.642 . . . . 99.99 111.868 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -71.41 3.08 4.08 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 124.086 0.954 . . . . 99.99 111.849 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -58.07 8.43 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.261 -1.014 . . . . 99.99 108.261 162.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 63.75 99.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.051 1.34 . . . . 99.99 111.67 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -70.85 -86.14 0.15 Allowed Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.711 -0.494 . . . . 99.99 112.772 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.26 -49.39 0.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.169 1.787 . . . . 99.99 113.344 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 35.8 p -65.41 93.11 0.14 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.676 1.19 . . . . 99.99 112.463 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 36.42 55.76 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.22 1.808 . . . . 99.99 113.791 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 29.4 m -107.0 127.15 62.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.557 -0.747 . . . . 99.99 109.384 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.69 127.78 33.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.636 0.374 . . . . 99.99 110.071 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 10.9 p -72.25 147.15 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.828 0.851 . . . . 99.99 109.198 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 23.6 m -68.96 152.16 45.62 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.896 0.478 . . . . 99.99 110.273 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -50.13 112.78 0.73 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.235 1.014 . . . . 99.99 110.921 175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.39 156.52 37.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.283 0.633 . . . . 99.99 110.15 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 83.8 t60 70.01 3.46 4.36 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.38 1.072 . . . . 99.99 112.29 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' E' ' 396' ' ' SER . . . -64.34 137.2 57.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.138 0.575 . . . . 99.99 110.785 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -56.18 -31.51 63.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.267 1.427 . . . . 99.99 112.659 -171.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -137.08 78.17 1.68 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.141 0.576 . . . . 99.99 110.061 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' E' ' 393' ' ' ALA . 30.0 t -165.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.668 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.81 -0.18 54.36 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.357 1.063 . . . . 99.99 110.669 -173.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.3 tt -57.38 126.85 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 124.426 1.09 . . . . 99.99 111.637 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.5 m 48.98 -153.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 126.454 1.902 . . . . 99.99 112.521 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 78.66 100.91 0.03 OUTLIER Pre-proline 0 C--N 1.368 1.375 0 C-N-CA 125.541 1.536 . . . . 99.99 109.461 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.76 130.54 20.78 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.749 2.299 . . . . 99.99 112.772 -173.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . 0.426 ' HA ' HG11 ' E' ' 224' ' ' VAL . 27.9 t70 -77.8 97.35 5.19 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.68 0.792 . . . . 99.99 109.419 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 49.4 p -70.68 -72.14 0.22 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -179.55 -82.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.718 1.207 . . . . 99.99 108.121 167.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 175.9 -53.6 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.514 1.526 . . . . 99.99 109.81 176.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.14 128.06 6.26 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 121.557 1.505 . . . . 99.99 111.478 173.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -88.66 106.78 3.3 Favored Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.741 -0.544 . . . . 99.99 111.741 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.55 -72.54 0.23 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 4.6 m 57.15 23.47 8.62 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.892 1.277 . . . . 99.99 112.346 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 66.11 131.51 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.088 1.355 . . . . 99.99 110.502 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 80.78 -52.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.808 1.643 . . . . 99.99 112.281 -175.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 2.9 tt 69.53 94.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.42 1.488 . . . . 99.99 109.003 -174.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -121.71 116.88 25.33 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.466 -0.939 . . . . 99.99 108.466 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 15.4 t -82.7 13.63 3.68 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.365 0.666 . . . . 99.99 111.634 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -101.7 36.23 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.63 1.172 . . . . 99.99 108.592 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.47 -8.43 58.52 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.209 1.404 . . . . 99.99 113.646 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -84.84 39.65 2.96 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 114.495 0.558 . . . . 99.99 114.495 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 61.28 72.75 0.5 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.587 1.155 . . . . 99.99 111.662 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . 0.567 HG23 ' HG3' ' E' ' 420' ' ' MET . 8.2 m -74.24 -33.51 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 115.537 -0.756 . . . . 99.99 111.448 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . 0.567 ' HG3' HG23 ' E' ' 419' ' ' VAL . 62.1 mtt -97.83 73.73 2.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.627 0.771 . . . . 99.99 109.767 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.576 HG22 ' H ' ' E' ' 422' ' ' MET . 4.6 p -147.46 -165.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 N-CA-C 108.69 -0.856 . . . . 99.99 108.69 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . 0.576 ' H ' HG22 ' E' ' 421' ' ' VAL . 25.4 tpp 74.62 -133.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.719 1.208 . . . . 99.99 109.791 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 22.9 m 62.25 -72.08 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 125.021 1.329 . . . . 99.99 111.145 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -121.66 -53.49 1.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 68.52 -79.65 0.23 Allowed Glycine 0 C--N 1.357 1.714 0 O-C-N 124.108 0.88 . . . . 99.99 113.421 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.1 -55.49 33.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.061 1.345 . . . . 99.99 110.155 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' E' ' 429' ' ' GLU . 33.0 t 55.22 22.19 4.54 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.649 1.18 . . . . 99.99 112.608 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 51.41 15.36 0.31 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 126.932 2.093 . . . . 99.99 114.375 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' E' ' 427' ' ' SER . 40.3 mm-40 -60.23 -50.46 73.57 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.94 0.896 . . . . 99.99 110.347 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -59.94 -36.77 77.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.121 -1.4 . . . . 99.99 111.438 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 34.4 t -73.02 -23.67 60.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.716 0.807 . . . . 99.99 111.595 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.68 -26.81 61.75 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.058 0.543 . . . . 99.99 111.822 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -128.01 126.34 41.14 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.505 0.558 . . . . 99.99 112.505 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 178.1 -51.15 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.84 1.656 . . . . 99.99 107.994 167.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -86.2 97.73 10.52 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.797 0.839 . . . . 99.99 110.196 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -82.71 177.18 53.45 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 112.584 -0.206 . . . . 99.99 112.584 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 64.8 p -79.89 -0.76 36.28 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.193 0.597 . . . . 99.99 110.82 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -67.67 94.61 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 107.657 -1.238 . . . . 99.99 107.657 167.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.456 HD12 ' HG3' ' E' ' 440' ' ' ARG . 1.9 pp -166.94 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.221 1.009 . . . . 99.99 110.174 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.456 ' HG3' HD12 ' E' ' 439' ' ' LEU . 0.1 OUTLIER -90.66 69.36 6.66 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.671 0.788 . . . . 99.99 109.293 173.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 36.4 pt -105.38 3.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.658 0.783 . . . . 99.99 112.268 -172.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.64 84.99 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.774 0.829 . . . . 99.99 112.278 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 58.37 78.35 0.25 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.509 1.124 . . . . 99.99 111.437 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -67.96 101.6 1.14 Allowed 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.515 -0.766 . . . . 99.99 110.339 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.26 -172.09 30.84 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 115.234 -0.894 . . . . 99.99 111.28 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.07 129.58 24.83 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.377 2.051 . . . . 99.99 110.8 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . 0.495 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 74.6 m80 -90.91 -45.73 8.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.465 0.706 . . . . 99.99 109.999 -176.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -175.21 -93.17 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.502 1.121 . . . . 99.99 108.406 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 169.04 147.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.866 1.666 . . . . 99.99 107.74 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 3' ' ' GLU . 4.3 p-10 -87.41 141.69 28.44 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.063 -0.718 . . . . 99.99 109.063 171.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.624 HG13 HG23 ' E' ' 452' ' ' VAL . 13.4 p -103.38 170.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 114.889 -1.05 . . . . 99.99 109.368 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.624 HG23 HG13 ' E' ' 451' ' ' VAL . 40.8 t 73.68 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.657 1.183 . . . . 99.99 111.529 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -60.92 -49.98 72.58 Favored Glycine 0 C--N 1.355 1.613 0 CA-C-O 119.77 -0.461 . . . . 99.99 112.613 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.427 HD11 ' HE1' ' A' ' 56' ' ' TYR . 79.1 mt 56.94 60.41 3.03 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.355 1.062 . . . . 99.99 110.818 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 11.7 t -170.33 -174.42 1.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.907 -162.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.59 134.63 38.18 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.237 1.415 . . . . 99.99 109.562 161.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.9 153.19 51.92 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.731 0.812 . . . . 99.99 108.917 174.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.528 HG23 HD12 ' E' ' 331' ' ' LEU . 18.4 p -74.28 116.3 14.78 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.243 0.617 . . . . 99.99 109.81 172.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 38.8 t70 69.58 160.58 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.449 1.1 . . . . 99.99 112.031 172.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.474 ' HG ' ' HB ' ' A' ' 46' ' ' THR . 2.4 tm? -154.02 -50.93 0.09 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.998 -0.741 . . . . 99.99 108.998 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -116.42 168.76 9.86 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 99.99 111.384 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.509 ' H ' ' HD1' ' E' ' 462' ' ' TYR . 0.5 OUTLIER -84.42 165.88 17.79 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.125 -1.398 . . . . 99.99 109.853 166.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 28.5 m -68.03 98.29 0.75 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.842 -0.799 . . . . 99.99 108.842 172.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 42' ' ' LEU . 26.1 ttt -65.1 125.15 24.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.765 0.426 . . . . 99.99 110.17 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -82.58 97.23 8.37 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.032 -1.099 . . . . 99.99 108.032 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -75.6 -71.84 0.35 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.854 0.461 . . . . 99.99 110.315 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . 66.28 167.77 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.891 1.277 . . . . 99.99 111.993 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' E' ' 470' ' ' LEU . 2.2 pt? -170.93 178.59 3.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.52 0.728 . . . . 99.99 110.506 -173.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -153.25 69.41 0.3 Allowed Glycine 0 C--N 1.347 1.171 0 CA-C-N 115.611 -0.722 . . . . 99.99 111.371 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 38' ' ' PRO . 79.2 mt -71.62 128.78 36.93 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.05 -0.722 . . . . 99.99 109.05 171.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.805 0.842 . . . . 99.99 109.488 -173.11 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.531 -0.914 . . . . 99.99 108.531 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -68.56 -62.38 1.42 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.333 0.653 . . . . 99.99 111.532 -175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 68.21 -91.76 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.735 1.214 . . . . 99.99 109.924 -168.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.62 ' HG2' ' HG3' ' A' ' 147' ' ' GLU . 3.0 mp0 49.92 -80.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.126 1.37 . . . . 99.99 112.512 -168.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 67.81 -77.39 0.05 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 125.536 1.534 . . . . 99.99 109.2 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -62.82 -39.97 95.94 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.028 0.931 . . . . 99.99 112.711 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 m 53.01 -86.16 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 C-N-CA 124.276 1.03 . . . . 99.99 112.182 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.0 -17.48 3.1 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.292 1.037 . . . . 99.99 110.862 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD11 ' A' ' 89' ' ' ILE . 21.8 ptt? -70.73 147.59 48.87 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.57 0.348 . . . . 99.99 111.674 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 32.4 m -143.16 132.99 23.97 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.728 0.811 . . . . 99.99 110.377 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -123.21 133.77 54.19 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.688 1.195 . . . . 99.99 108.328 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -148.95 128.68 13.27 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.144 0.578 . . . . 99.99 109.734 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.34 125.06 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 123.727 0.811 . . . . 63.61 109.455 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -87.66 -41.16 13.58 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.932 0.493 . . . . 99.99 111.397 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -175.51 120.41 0.18 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.196 -0.668 . . . . 87.02 109.196 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.47 131.6 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.69 -0.856 . . . . 27.8 108.69 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 31.1 p90 -160.37 149.69 17.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.837 0.855 . . . . 37.37 110.948 -174.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -77.67 119.6 21.44 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.684 -0.487 . . . . 12.57 109.684 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' B' ' 25' ' ' ALA . 38.7 mtpt -89.92 -23.08 21.69 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.892 -0.595 . . . . 37.56 110.295 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 19.3 t70 -148.36 146.08 28.36 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.841 0.856 . . . . 38.09 109.209 175.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 75.0 mt -144.8 141.14 23.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 C-N-CA 125.951 1.701 . . . . 5.43 106.434 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 t -151.8 136.77 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.646 0.591 . . . . 6.92 109.523 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.5 t80 -138.08 125.15 21.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.28 -1.748 . . . . 5.61 106.28 172.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.11 143.66 50.34 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.623 -1.251 . . . . 36.27 107.623 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.83 82.86 7.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.101 -1.074 . . . . 12.68 108.101 171.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.77 -31.49 20.37 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.371 2.048 . . . . 32.78 111.325 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' HB2' ' HA ' ' A' ' 73' ' ' ALA . 16.2 m-80 -98.31 17.16 19.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.088 -0.96 . . . . 80.05 111.513 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -54.02 -45.05 99.15 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 123.566 0.746 . . . . 31.49 112.01 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 6.0 Cg_exo -84.13 -21.12 3.95 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.021 1.814 . . . . 44.68 113.619 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 75.3 m-70 -76.09 -21.39 56.75 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.734 0.414 . . . . 99.99 111.62 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.18 1.74 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.187 0.595 . . . . 99.99 111.858 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.58 -39.24 70.71 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.431 0.692 . . . . 99.99 109.446 167.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -94.06 -53.48 3.96 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.709 -175.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 30' ' ' HIS . 51.8 mtmt -82.43 154.42 25.18 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.159 -0.928 . . . . 99.99 110.647 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -78.97 147.99 32.75 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.492 0.717 . . . . 99.99 111.45 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -76.08 84.3 2.94 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.164 0.986 . . . . 99.99 110.163 176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -136.3 58.98 23.86 Favored Pre-proline 0 CA--C 1.561 1.398 0 CA-C-N 115.548 -0.751 . . . . 99.99 111.182 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' E' ' 470' ' ' LEU . 54.1 Cg_endo -93.96 165.0 2.13 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.08 1.853 . . . . 57.34 115.304 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -97.36 105.43 17.57 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.438 -1.319 . . . . 99.99 107.438 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' E' ' 468' ' ' LEU . 57.4 t -79.66 96.65 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.203 0.525 . . . . 48.36 109.714 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -85.14 114.18 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.087 -0.961 . . . . 99.99 109.84 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.9 142.16 29.21 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.391 -0.966 . . . . 97.85 108.391 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 24.2 t0 -146.76 145.43 29.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.177 0.591 . . . . 85.15 110.595 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.29 118.68 32.94 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.743 0.817 . . . . 99.99 108.885 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -126.16 152.09 46.44 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.938 1.295 . . . . 78.84 107.831 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -147.72 144.19 28.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 121.177 0.513 . . . . 43.33 111.903 -173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.35 154.07 50.11 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.934 1.293 . . . . 41.53 108.755 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 p -119.81 173.69 6.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 88.8 110.6 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -164.88 120.75 1.43 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.96 0.904 . . . . 73.87 109.136 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -92.75 110.06 21.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.0 mt -82.47 -35.42 27.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.207 0.603 . . . . 99.99 110.71 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -160.05 -176.03 5.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.651 0.78 . . . . 99.99 111.087 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -62.03 119.59 9.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 108.743 -0.836 . . . . 99.99 108.743 171.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 86' ' ' ILE . 6.9 m-20 68.99 -7.65 0.75 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.067 1.347 . . . . 99.99 113.106 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 47.5 t -100.57 111.2 29.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.967 -1.123 . . . . 99.99 107.967 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -132.6 125.53 30.66 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.944 -1.132 . . . . 99.99 107.944 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -93.61 143.04 26.68 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.616 -1.174 . . . . 57.04 108.674 171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.663 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.6 t -125.7 134.4 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.18 -1.044 . . . . 54.22 108.18 171.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 79.5 t -105.45 133.99 48.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.534 0.734 . . . . 29.36 109.628 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -113.82 113.11 24.46 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.825 -1.176 . . . . 19.86 107.825 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB2' ' HG2' ' A' ' 79' ' ' GLN . 31.7 ttt-85 -106.06 101.77 11.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.461 0.704 . . . . 99.99 110.034 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.51 128.18 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.89 0.876 . . . . 13.6 108.813 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 21.5 m -113.49 138.58 49.91 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.521 0.513 . . . . 17.22 109.833 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 48.1 t -135.16 104.52 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.0 -1.481 . . . . 14.92 107.0 175.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 m -102.82 150.08 23.84 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.123 -1.066 . . . . 21.43 108.123 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.18 110.14 6.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 107.735 -1.209 . . . . 23.61 107.735 173.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 54.2 p -114.91 128.54 56.34 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 108.691 -0.855 . . . . 57.75 108.691 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.75 74.79 9.06 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.491 1.138 . . . . 99.99 108.466 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.76 -85.26 0.83 Allowed Glycine 0 C--N 1.349 1.281 0 CA-C-N 113.965 -1.471 . . . . 93.1 111.769 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -129.98 -28.57 2.17 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.494 0.717 . . . . 99.99 109.359 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 8.5 tp10 -84.9 128.81 34.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.203 1.001 . . . . 99.99 108.956 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 28.7 m -87.58 123.97 33.01 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.411 0.523 . . . . 30.12 112.411 -169.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -68.69 -59.04 3.39 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.744 1.218 . . . . 22.88 110.386 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -154.77 172.96 17.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.221 -0.9 . . . . 30.01 110.972 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -141.96 139.85 32.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.222 1.409 . . . . 14.44 107.952 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 73.2 m -135.45 114.83 12.51 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.766 1.227 . . . . 14.43 108.41 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.43 118.53 10.69 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.81 -0.441 . . . . 35.14 109.81 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.91 135.59 63.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 124.165 0.986 . . . . 9.47 109.616 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 44.5 mt-30 -104.8 98.31 8.06 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.584 0.753 . . . . 43.33 110.576 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.23 98.29 10.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 114.751 -1.113 . . . . 15.31 108.749 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.39 151.59 23.56 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.146 -0.782 . . . . 20.02 111.146 174.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -147.73 123.3 1.7 Allowed Glycine 0 CA--C 1.506 -0.475 0 N-CA-C 110.98 -0.848 . . . . 41.88 110.98 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.5 mt -79.8 130.67 35.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 107.949 -1.13 . . . . 66.87 107.949 173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 102' ' ' CYS . 46.8 m-85 -129.87 151.09 50.82 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.313 0.645 . . . . 77.52 109.852 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -117.71 110.38 17.78 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.369 -0.975 . . . . 99.99 108.369 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' HB ' ' CE1' ' A' ' 56' ' ' TYR . 10.0 tp -99.61 157.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.27 0.628 . . . . 99.99 109.877 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -147.3 145.06 29.23 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.248 1.019 . . . . 99.99 108.295 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.72 8.88 84.81 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 114.08 0.392 . . . . 99.99 114.08 169.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.731 HD11 ' SD ' ' A' ' 9' ' ' MET . 25.3 mm -120.11 139.59 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.124 0.97 . . . . 99.99 110.53 -175.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.39 174.54 13.98 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.76 -134.69 20.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-O 120.284 -0.176 . . . . 99.99 113.11 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -68.3 -38.22 81.41 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.58 0.752 . . . . 99.99 111.575 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' ILE . 7.1 tp60 -62.53 -37.44 86.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.261 1.024 . . . . 99.99 111.371 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.4 tpt -76.01 -44.38 39.77 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.93 0.492 . . . . 99.99 110.528 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.19 -27.46 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.531 0.733 . . . . 99.99 111.647 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' C ' HD23 ' E' ' 454' ' ' LEU . 50.2 m170 -78.15 -58.91 3.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.623 -0.717 . . . . 99.99 110.635 172.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.535 ' SG ' HG21 ' E' ' 452' ' ' VAL . 42.2 t -39.09 -37.7 0.41 Allowed 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 125.595 1.558 . . . . 99.99 115.187 -161.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 1.7 pp -72.14 -5.37 35.06 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 125.09 1.356 . . . . 99.99 114.599 -177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 -36.88 2.48 Favored Glycine 0 N--CA 1.479 1.514 0 N-CA-C 115.131 0.812 . . . . 99.99 115.131 -168.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' E' ' 454' ' ' LEU . . . -134.07 -45.58 0.78 Allowed 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 118.666 1.233 . . . . 95.56 114.32 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.83 ' H ' HD22 ' E' ' 454' ' ' LEU . 90.8 t80 -60.53 -52.7 64.06 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 118.61 0.641 . . . . 94.48 111.463 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 84' ' ' PHE . 81.4 m -64.31 -44.87 77.62 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-N 115.594 -0.73 . . . . 73.2 111.479 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.663 ' HD3' HG11 ' A' ' 58' ' ' VAL . 72.5 Cg_exo -50.77 -34.38 44.27 Favored 'Trans proline' 0 C--N 1.388 2.606 0 C-N-CA 122.622 2.215 . . . . 48.9 114.626 165.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.37 -37.66 85.78 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 122.772 0.429 . . . . 94.19 112.067 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 tp -82.39 -19.26 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 120.815 0.34 . . . . 55.88 110.477 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.445 HD21 ' HA3' ' A' ' 82' ' ' GLY . 89.0 mt -78.66 -23.02 45.97 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.708 0.803 . . . . 21.71 111.394 172.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.9 -39.63 39.85 Favored Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 114.404 1.261 . . . . 15.39 114.404 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.7 -39.1 67.21 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 121.989 1.793 . . . . 9.95 113.962 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -81.07 -39.88 25.03 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.589 0.756 . . . . 20.66 111.093 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.15 87.55 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.411 0.684 . . . . 7.34 110.67 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.563 HH22 ' HB3' ' A' ' 130' ' ' PRO . 35.9 ttm180 -54.82 -54.93 35.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.704 -1.135 . . . . 15.45 109.751 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.75 -40.65 88.84 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.47 1.106 . . . . 46.26 111.597 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' MET . 37.2 t -63.72 -39.95 95.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.144 0.577 . . . . 4.41 111.012 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.67 -45.95 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.762 0.825 . . . . 7.34 110.289 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.4 HG21 ' HE2' ' C' ' 109' ' ' TYR . 31.1 m -59.87 -32.89 71.14 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.199 0.999 . . . . 7.28 110.809 -177.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -76.63 -43.56 37.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.911 -1.04 . . . . 4.96 110.369 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 51.9 mtm -62.7 -40.94 98.71 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.619 0.368 . . . . 48.88 111.704 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.21 -40.2 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 123.278 0.361 . . . . 26.6 110.774 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.3 p -70.43 -34.3 72.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.796 0.438 . . . . 17.97 111.115 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' B' ' 113' ' ' CYS . 55.3 mtt-85 -68.5 -31.86 71.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.378 0.671 . . . . 8.38 110.357 173.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.26 0.3 84.55 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.721 -0.672 . . . . 6.18 113.813 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.453 ' HB ' HH21 ' B' ' 15' ' ' ARG . 27.0 m 62.56 38.38 12.45 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-O 123.253 1.502 . . . . 20.1 109.713 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -112.48 152.86 44.93 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 113.953 -1.476 . . . . 13.71 108.831 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HB2' HG23 ' E' ' 133' ' ' THR . 36.2 Cg_endo -60.93 137.94 75.61 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.57 2.18 . . . . 20.05 113.404 -175.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.05 138.36 58.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.207 1.003 . . . . 39.31 111.521 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.44 120.23 20.62 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.817 -0.809 . . . . 56.76 108.817 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.61 ' HB2' HG21 ' E' ' 135' ' ' VAL . 6.6 m120 -112.57 118.06 34.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 107.398 -1.334 . . . . 38.41 107.398 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.418 ' H ' ' HG3' ' A' ' 111' ' ' ARG . 3.7 mm? -75.45 158.91 31.97 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.286 0.635 . . . . 62.97 111.611 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.12 55.24 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 123.191 0.596 . . . . 56.46 110.631 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.563 ' HB3' HH22 ' A' ' 111' ' ' ARG . 30.9 Cg_endo -86.38 95.66 0.53 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.266 2.644 . . . . 77.42 111.708 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 16.3 m -115.95 114.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 123.364 0.666 . . . . 99.99 110.103 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -106.14 78.34 1.3 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' E' ' 462' ' ' TYR . 50.1 m-85 -68.6 -8.48 42.27 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 116.415 -0.357 . . . . 99.99 111.673 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.36 -25.36 66.77 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 111.893 0.331 . . . . 99.99 111.893 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.95 69.64 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.211 0.604 . . . . 99.99 111.513 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.662 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.92 -21.62 20.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.071 0.548 . . . . 99.99 111.839 176.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -80.41 -54.22 5.89 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.942 0.337 . . . . 99.99 111.602 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.562 ' SD ' ' HA3' ' E' ' 453' ' ' GLY . 0.7 OUTLIER -65.27 -23.46 67.05 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.289 0.566 . . . . 99.99 110.691 175.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -66.4 -43.46 85.75 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.106 0.962 . . . . 99.99 109.287 172.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -65.88 -29.95 70.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.985 -1.007 . . . . 99.99 111.526 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -50.5 52.49 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.671 0.788 . . . . 99.99 112.135 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -170.31 -17.76 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.621 1.169 . . . . 99.99 111.074 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.12 27.39 9.44 Favored 'General case' 0 CA--C 1.572 1.791 0 C-N-CA 123.838 0.855 . . . . 99.99 110.121 -169.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -85.94 99.5 11.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 99.99 110.143 -173.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -155.49 64.15 0.61 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 4' ' ' GLN . . . -150.76 56.17 0.46 Allowed Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.303 -175.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.62 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 51.7 mt-10 60.66 -170.7 0.15 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.384 1.073 . . . . 99.99 112.716 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.87 -22.48 74.39 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.48 -0.782 . . . . 99.99 111.452 168.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 17.9 m -126.42 112.03 15.15 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.647 0.779 . . . . 99.99 110.045 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -62.42 137.88 58.34 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.595 1.158 . . . . 99.99 109.998 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 72.35 -56.28 0.65 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.619 1.568 . . . . 99.99 111.209 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 74.08 -63.7 0.42 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.907 1.683 . . . . 99.99 110.91 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.33 140.48 16.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.606 0.762 . . . . 99.99 109.091 166.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.06 80.28 7.56 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.391 -0.966 . . . . 99.99 108.391 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 CA-C-N 114.791 -1.095 . . . . 99.99 108.729 -178.071 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttp . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.192 -0.299 . . . . 99.99 110.192 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' E' ' 28' ' ' VAL . 62.2 p -134.1 -70.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.138 0.575 . . . . 99.99 110.343 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 60.47 31.32 20.28 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.704 0.802 . . . . 99.99 110.987 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -65.33 127.43 31.73 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.168 0.587 . . . . 99.99 109.977 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m120 61.96 38.17 14.49 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.199 1.0 . . . . 99.99 110.891 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -57.31 -56.62 19.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.075 0.95 . . . . 99.99 109.72 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.604 HG22 ' H ' ' B' ' 8' ' ' GLU . 2.0 m 66.32 -171.88 0.19 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 124.166 0.986 . . . . 99.99 110.4 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.604 ' H ' HG22 ' B' ' 7' ' ' THR . 11.0 mp0 -67.76 96.43 0.57 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.695 -0.854 . . . . 99.99 108.695 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.0 OUTLIER 66.74 163.27 0.18 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.371 1.869 . . . . 99.99 111.07 -169.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.446 ' N ' ' SD ' ' B' ' 9' ' ' MET . 10.0 t -154.85 115.44 3.9 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' B' ' 85' ' ' SER . 6.1 t80 -152.06 126.44 9.35 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 121.264 0.554 . . . . 93.55 112.21 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -139.94 140.12 36.29 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 99.99 109.816 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 3.5 mp -82.09 109.73 16.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.004 -1.11 . . . . 40.88 108.004 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -85.8 -41.9 14.64 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.172 -0.467 . . . . 85.25 110.318 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.453 HH21 ' HB ' ' A' ' 122' ' ' THR . 51.8 ttt180 -165.53 140.24 4.87 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.533 0.333 . . . . 95.33 111.052 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.95 137.05 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.797 -1.186 . . . . 13.6 107.797 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 22.9 p90 -169.28 152.23 4.87 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.084 0.469 . . . . 23.1 111.866 -174.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -77.56 129.39 35.59 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.476 -0.784 . . . . 6.51 109.099 168.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -96.39 -35.78 11.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.343 0.657 . . . . 19.94 109.887 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.54 139.08 21.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 37.8 110.373 -168.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 47.8 mm -132.46 149.09 31.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 125.09 1.356 . . . . 5.14 107.624 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.1 t -151.14 141.03 21.95 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.256 -1.016 . . . . 19.25 108.256 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 80.3 t80 -154.87 111.87 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.578 -1.267 . . . . 9.84 107.578 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.99 146.22 42.31 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.612 -1.255 . . . . 50.65 107.612 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -131.92 78.93 68.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.711 -1.218 . . . . 18.09 107.711 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.22 -27.32 35.11 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.52 2.147 . . . . 31.77 112.583 -172.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -124.68 32.18 5.52 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.784 0.834 . . . . 49.39 109.649 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.934 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -49.26 -46.83 77.17 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 124.663 1.185 . . . . 51.5 113.959 169.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 37.3 Cg_exo -65.55 -12.66 36.04 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.813 1.676 . . . . 70.98 113.435 173.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -91.56 -13.37 32.15 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.49 0.716 . . . . 99.99 111.571 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.596 HG12 ' O ' ' B' ' 28' ' ' ALA . 7.3 p -76.8 -13.24 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.14 0.882 . . . . 99.99 110.315 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.63 -40.9 93.63 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.455 0.702 . . . . 99.99 110.164 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -87.25 -32.15 19.89 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.216 0.607 . . . . 99.99 111.413 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -96.71 97.33 9.26 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.219 0.608 . . . . 98.87 111.876 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.91 88.29 2.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.571 0.749 . . . . 99.99 110.683 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -159.34 168.15 27.1 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.561 0.744 . . . . 99.99 109.579 167.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -73.82 109.79 7.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.117 0.967 . . . . 99.99 109.147 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.77 147.08 68.41 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.412 2.075 . . . . 63.52 112.99 -174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -71.91 135.65 46.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.507 0.723 . . . . 99.99 109.417 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' E' ' 6' ' ' ILE . 6.5 m -118.38 149.49 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 121.701 0.762 . . . . 72.1 112.134 -172.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -125.01 129.02 49.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.01 1.324 . . . . 99.99 108.472 172.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.465 HD22 ' N ' ' E' ' 8' ' ' LEU . 3.0 pp -98.16 158.29 15.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.698 0.799 . . . . 96.73 110.109 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.4 m-20 -148.59 143.1 26.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.264 1.026 . . . . 92.63 108.873 173.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' B' ' 45' ' ' ASP . 5.2 tt -106.22 134.2 49.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 107.357 -1.349 . . . . 67.27 107.357 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.422 ' N ' HD23 ' B' ' 44' ' ' LEU . 29.9 t70 -134.58 150.56 50.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.971 -1.122 . . . . 58.71 107.971 171.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -124.82 131.15 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.08 0.552 . . . . 66.97 110.566 -174.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.547 ' HB3' ' HB ' ' B' ' 59' ' ' VAL . . . -127.1 148.34 50.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.02 0.928 . . . . 35.64 109.618 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.457 ' HB3' ' HG3' ' E' ' 17' ' ' PRO . 31.0 p -142.83 160.19 40.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.113 0.483 . . . . 74.75 111.864 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -163.8 135.11 4.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.407 -1.27 . . . . 43.74 108.231 166.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -103.13 120.01 39.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.879 -0.786 . . . . 89.61 108.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 29' ' ' PRO . 63.8 mt -81.38 -43.44 18.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.717 . . . . 71.01 110.452 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.87 -176.84 6.03 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.394 -0.821 . . . . 85.91 110.218 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.77 112.22 1.94 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.743 -1.117 . . . . 99.99 110.171 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 67.33 8.13 6.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.759 1.223 . . . . 99.99 113.129 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 62.5 t -101.22 105.11 17.25 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 N-CA-C 106.178 -1.786 . . . . 76.71 106.178 169.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.19 137.1 52.2 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.218 -0.901 . . . . 98.07 108.779 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 13.9 tm-20 -103.31 100.83 10.74 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.211 -1.774 . . . . 46.84 106.211 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -94.09 135.38 28.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 109.379 -0.6 . . . . 57.34 109.379 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 15.9 t -127.56 140.28 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.217 0.607 . . . . 21.57 109.746 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.92 111.31 16.49 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 107.375 -1.343 . . . . 62.33 107.375 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.618 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 12.0 ttp180 -85.6 128.5 34.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.493 0.663 . . . . 95.32 109.907 177.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.69 104.62 17.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 114.485 -1.234 . . . . 14.84 108.21 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.68 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 76.8 m -97.74 135.94 38.8 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.726 -0.842 . . . . 28.15 108.726 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 114' ' ' ILE . 77.7 t -133.01 137.7 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.629 1.172 . . . . 18.14 109.319 -171.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -125.18 148.22 48.71 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 124.674 1.19 . . . . 24.35 108.102 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.4 151.19 38.9 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.492 0.717 . . . . 26.44 109.336 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.8 p -155.09 129.4 8.98 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.762 0.664 . . . . 56.64 111.361 -172.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 16.5 mt -96.84 97.92 9.69 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.346 1.059 . . . . 62.67 108.432 175.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.58 -125.12 7.85 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.728 -0.484 . . . . 81.37 112.34 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -96.01 17.46 15.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.817 0.847 . . . . 99.99 109.941 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -117.26 136.96 52.71 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.137 -1.06 . . . . 99.99 108.137 -172.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 86.5 m -75.4 127.29 32.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.132 0.878 . . . . 33.32 109.144 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -86.74 -63.18 1.35 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.837 -0.801 . . . . 25.99 108.837 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.04 152.42 32.39 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.023 -0.989 . . . . 18.76 110.1 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.83 111.48 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.499 -1.297 . . . . 16.93 107.499 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -119.6 149.05 42.59 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.031 -0.729 . . . . 12.76 109.031 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -160.43 124.91 3.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.536 -0.542 . . . . 30.38 109.536 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 150.8 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.163 0.585 . . . . 8.91 109.843 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.618 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 44.2 mt-30 -122.06 106.4 11.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.32 -0.993 . . . . 33.15 108.32 170.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.8 tp-100 -92.52 105.12 17.35 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.147 -1.057 . . . . 11.26 108.147 172.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.49 169.37 26.02 Favored Glycine 0 C--O 1.247 0.94 0 CA-C-N 115.465 -0.789 . . . . 11.78 111.69 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.9 127.05 1.73 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.431 -1.068 . . . . 23.01 110.431 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 78.5 mt -83.57 125.32 40.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 107.68 -1.23 . . . . 39.34 107.68 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 46.2 m-85 -141.52 163.65 32.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.12 0.968 . . . . 63.88 109.453 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 47.0 t -106.9 125.06 50.51 Favored 'General case' 0 C--O 1.213 -0.864 0 N-CA-C 104.272 -2.492 . . . . 82.93 104.272 155.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' B' ' 11' ' ' PHE . 60.2 mt -140.88 103.57 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 108.158 -1.052 . . . . 98.2 108.158 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.4 173.54 16.08 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.697 0.629 . . . . 99.99 112.697 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 -56.21 0.47 Allowed Glycine 0 C--N 1.355 1.59 0 C-N-CA 123.332 0.491 . . . . 99.99 113.01 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 97' ' ' CYS . 21.1 pt -90.23 165.37 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.109 0.564 . . . . 99.99 111.788 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -150.09 168.2 24.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.173 -0.921 . . . . 99.99 110.882 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.42 -113.34 5.78 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.194 -0.912 . . . . 99.99 113.669 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -74.18 -36.76 64.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.682 0.793 . . . . 99.99 111.76 -175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 89' ' ' ILE . 80.9 mm-40 -68.67 -40.32 80.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.586 0.755 . . . . 99.99 110.271 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 28.3 ttt -67.2 -35.77 80.31 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.427 -0.806 . . . . 99.99 110.394 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.02 82.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.274 0.63 . . . . 99.99 110.693 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.61 -46.53 82.25 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.012 0.525 . . . . 99.99 110.902 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' B' ' 89' ' ' ILE . 73.6 m -66.94 -65.77 0.64 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.958 0.408 . . . . 99.99 110.522 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.71 -22.79 64.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.22 -0.9 . . . . 71.23 112.434 -171.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.494 ' HA2' HD23 ' E' ' 11' ' ' LEU . . . -98.69 -38.84 3.79 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 119.931 -0.372 . . . . 59.87 113.859 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.97 -55.96 2.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 117.712 0.756 . . . . 71.19 112.012 -170.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.451 ' HE2' ' CE1' ' B' ' 11' ' ' PHE . 60.5 t80 -79.04 -66.02 0.92 Allowed 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 112.37 0.507 . . . . 99.99 112.37 -168.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.96 -48.25 97.73 Favored Pre-proline 0 CA--C 1.562 1.428 0 C-N-CA 124.498 1.119 . . . . 50.37 113.43 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.47 -24.58 30.83 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.649 1.566 . . . . 36.29 112.695 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.79 -24.94 64.47 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.381 0.672 . . . . 87.59 111.7 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 53.0 mt -74.07 -34.41 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 109.606 -0.516 . . . . 37.19 109.606 174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.28 -25.86 26.96 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.614 0.765 . . . . 13.07 112.45 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -58.5 -48.89 96.1 Favored Pre-proline 0 N--CA 1.495 1.796 0 CA-C-O 117.614 -1.184 . . . . 99.99 113.971 -175.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.69 -37.16 63.82 Favored 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 122.501 2.134 . . . . 10.37 113.886 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -69.65 -53.01 20.69 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.523 0.729 . . . . 12.29 111.574 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -60.28 -44.22 95.54 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 122.801 0.44 . . . . 8.75 110.972 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.761 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 34.4 ttt-85 -50.3 -61.76 1.98 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.307 1.443 . . . . 59.14 111.106 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.79 -22.28 59.87 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.001 -1.0 . . . . 51.9 110.604 -170.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.7 t -69.06 -47.09 66.19 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 110.011 -0.366 . . . . 13.3 110.011 177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.651 HG21 HG21 ' B' ' 64' ' ' VAL . 94.9 mt -57.64 -55.5 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 124.213 1.005 . . . . 9.86 110.176 174.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 53.3 m -53.98 -42.14 68.66 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 124.828 1.33 . . . . 13.13 112.009 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 41.5 t -76.74 -28.17 55.66 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 115.569 -0.742 . . . . 8.02 111.903 -176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.0 mmt -69.32 -25.41 64.2 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 117.981 0.355 . . . . 26.78 111.046 176.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' B' ' 125' ' ' GLN . 51.8 t -63.97 -32.91 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 C-N-CA 123.49 0.716 . . . . 13.3 111.794 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . 0.515 ' HB2' HG21 ' C' ' 115' ' ' THR . 89.2 p -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 29.79 111.776 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -67.86 -45.27 75.03 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.372 -1.285 . . . . 11.55 109.681 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.26 -4.19 72.77 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.803 0.689 . . . . 16.97 113.15 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.8 p 64.06 30.34 13.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.712 2.005 . . . . 23.15 112.813 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.62 157.37 46.88 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.911 0.884 . . . . 23.84 110.069 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.54 113.85 3.64 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.617 2.211 . . . . 29.89 110.95 167.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.576 ' HA ' HG11 ' B' ' 118' ' ' VAL . 2.2 pm0 -66.17 157.44 31.3 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.327 1.06 . . . . 99.99 112.65 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' E' ' 6' ' ' ILE . 3.5 mm? -114.97 125.88 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 113.371 -1.74 . . . . 72.13 106.849 165.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.56 123.01 33.87 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.116 -0.698 . . . . 73.04 109.116 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.761 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 9.9 tt -60.04 122.52 14.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.009 0.923 . . . . 90.81 110.241 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.43 148.86 60.0 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.351 1.06 . . . . 43.15 111.008 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.39 119.18 6.16 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.545 2.163 . . . . 61.27 111.965 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' E' ' 8' ' ' LEU . 43.3 t -90.18 136.07 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.686 -0.857 . . . . 99.57 108.686 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' E' ' 1' ' ' MET . 9.0 m120 -77.31 80.35 3.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.065 0.946 . . . . 99.99 110.021 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.92 -46.69 9.17 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.586 0.754 . . . . 99.99 109.826 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 138' ' ' MET . 6.4 p-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.307 1.043 . . . . 99.99 111.551 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.84 42.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.526 0.73 . . . . 99.99 111.883 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.72 -53.02 57.68 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.574 0.702 . . . . 99.99 110.157 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -72.91 -15.65 61.58 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.467 -1.242 . . . . 99.99 111.522 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' E' ' 87' ' ' ALA . 38.1 ttm -64.86 -34.71 79.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.219 0.533 . . . . 99.99 110.918 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . 0.477 ' HA ' ' OD1' ' E' ' 85' ' ' ASN . 51.8 m-80 -76.27 -16.97 59.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.147 -0.933 . . . . 99.99 111.775 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -88.34 -33.6 17.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.767 . . . . 99.99 110.404 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 pp -89.37 37.13 0.85 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.113 0.958 . . . . 99.99 111.465 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.402 ' HA ' ' HB2' ' E' ' 85' ' ' ASN . 9.7 pt20 -62.59 -7.2 4.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.863 1.665 . . . . 99.99 113.877 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -72.54 80.84 1.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.984 0.913 . . . . 99.99 108.587 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.16 -42.18 93.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.789 -1.096 . . . . 99.99 110.844 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.26 0.82 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 173.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.24 -179.96 28.52 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.735 -0.666 . . . . 99.99 111.652 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.82 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.012 1.325 . . . . 99.99 113.202 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 88.83 60.25 1.52 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.851 -0.9 . . . . 99.99 110.851 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 10.7 m 67.65 160.16 0.16 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.387 1.475 . . . . 99.99 111.029 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' B' ' 155' ' ' ALA . 6.5 mp0 -63.58 98.47 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.241 1.016 . . . . 99.99 110.288 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.82 -27.63 5.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.765 1.226 . . . . 99.99 109.672 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -67.31 102.99 1.16 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.963 0.905 . . . . 99.99 110.849 -173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 60.19 37.95 20.4 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.216 0.947 . . . . 99.99 108.863 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.09 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.008 1.323 . . . . 99.99 109.991 -166.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 150' ' ' GLU . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.501 0.721 . . . . 99.99 109.191 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.528 ' HG3' ' H ' ' C' ' 2' ' ' SER . 12.0 ptm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.433 -0.317 . . . . 99.99 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.528 ' H ' ' HG3' ' C' ' 1' ' ' MET . 26.1 t -69.31 126.93 31.3 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.807 0.843 . . . . 99.99 110.242 -171.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 68.98 -70.61 0.13 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.544 1.537 . . . . 99.99 111.424 -174.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -38.37 -61.02 0.73 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.704 2.002 . . . . 99.99 113.818 -177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.69 79.13 3.33 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.6 t30 58.16 25.26 12.3 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.002 0.921 . . . . 99.99 111.961 169.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p 52.35 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.18 1.392 . . . . 99.99 110.405 -157.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' C' ' 9' ' ' MET . 9.6 tt0 61.86 -168.62 0.18 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 125.086 1.354 . . . . 99.99 113.105 163.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.567 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 3.3 mpp? 50.46 105.46 0.01 OUTLIER 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.265 1.426 . . . . 99.99 109.802 -163.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' C' ' 86' ' ' ILE . 11.4 m -101.73 123.69 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.921 -0.77 . . . . 99.99 108.921 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -121.59 117.13 25.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 167.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.595 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 42.2 tt0 -159.34 142.01 14.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.839 0.856 . . . . 99.99 109.655 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' C' ' 101' ' ' TYR . 1.4 mp -96.15 117.07 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 105.426 -2.065 . . . . 56.3 105.426 164.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -85.61 -50.22 7.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.4 0.28 . . . . 93.16 110.506 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -175.8 165.56 3.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.518 1.127 . . . . 99.99 109.802 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.443 HD12 HD22 ' A' ' 127' ' ' ASN . 22.3 mt -131.17 143.43 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.911 1.284 . . . . 11.74 107.72 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.486 ' HE1' HG12 ' C' ' 83' ' ' ILE . 49.3 p90 -168.64 155.92 7.58 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.921 0.867 . . . . 19.28 112.902 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.461 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.7 p -86.54 113.16 22.22 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.695 -1.224 . . . . 6.91 107.695 169.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -102.77 -22.37 13.92 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 122.34 -0.225 . . . . 21.95 110.609 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' C' ' 79' ' ' GLN . 21.4 m-20 -132.99 117.31 17.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.508 -0.923 . . . . 50.62 108.508 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 95.6 mt -127.0 149.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 125.855 1.662 . . . . 5.12 106.867 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -161.69 152.24 17.59 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.186 0.517 . . . . 9.28 110.793 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HB3' ' HB ' ' D' ' 21' ' ' ILE . 90.0 t80 -150.08 149.35 30.18 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.887 1.275 . . . . 8.82 107.637 174.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -144.75 146.22 32.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.728 1.211 . . . . 30.58 107.836 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -154.26 79.99 4.88 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 108.659 -0.867 . . . . 12.04 108.659 174.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -68.67 -44.58 2.91 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.838 2.359 . . . . 30.41 112.351 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.39 26.88 2.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.597 0.759 . . . . 61.38 111.026 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.505 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -60.64 -50.75 83.96 Favored Pre-proline 0 CA--C 1.574 1.872 0 N-CA-C 114.129 1.159 . . . . 26.66 114.129 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 36.9 Cg_exo -64.37 -37.95 36.86 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.725 1.616 . . . . 35.22 111.738 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -68.09 -20.21 64.92 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 113.836 -1.529 . . . . 48.75 112.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.65 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 2.4 p -56.48 -35.11 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 123.175 0.59 . . . . 55.24 111.521 -178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -58.69 -37.06 75.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.997 0.919 . . . . 99.99 112.656 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.69 29.55 2.29 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.507 0.723 . . . . 97.11 112.278 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.65 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.0 OUTLIER -126.2 174.04 8.81 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.629 0.728 . . . . 88.6 112.223 173.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.87 133.16 33.98 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.293 1.437 . . . . 99.99 110.356 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -80.12 83.45 6.0 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.482 0.713 . . . . 99.99 111.164 -174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -154.39 69.19 5.99 Favored Pre-proline 0 CA--C 1.562 1.429 0 C-N-CA 123.132 0.573 . . . . 99.99 109.973 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -88.16 141.45 5.06 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.939 2.426 . . . . 68.93 114.496 -168.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.61 97.65 11.23 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.181 0.991 . . . . 99.99 108.927 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.503 HG21 HD11 ' C' ' 126' ' ' LEU . 1.8 p -83.36 123.27 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 114.834 -1.076 . . . . 87.15 108.823 173.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -131.89 140.64 49.14 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.126 0.97 . . . . 99.99 109.395 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 tt -104.56 136.59 43.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.425 -1.324 . . . . 94.05 107.425 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -129.53 104.76 7.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.612 -1.255 . . . . 99.99 107.612 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.79 118.4 31.7 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.423 0.689 . . . . 71.87 109.696 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 12.1 t70 -112.24 148.1 34.84 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.101 -1.074 . . . . 92.17 108.101 173.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -130.57 121.88 26.5 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.901 0.48 . . . . 62.96 111.06 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.08 158.51 37.78 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.856 0.862 . . . . 35.73 111.231 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 69.7 p -158.96 152.27 22.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.934 0.894 . . . . 56.22 109.702 175.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 76.8 p -148.0 156.59 42.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.083 0.953 . . . . 43.42 109.628 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -103.8 119.92 39.91 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 108.877 -0.786 . . . . 99.99 108.877 168.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' C' ' 57' ' ' GLU . 46.4 mt -85.94 -45.72 11.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.823 -1.081 . . . . 61.44 110.792 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.09 -166.34 1.4 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 123.729 0.643 . . . . 94.06 111.332 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.89 100.12 0.19 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.285 1.434 . . . . 99.99 110.564 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' C' ' 87' ' ' ALA . 0.8 OUTLIER 54.01 40.44 31.61 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.903 1.281 . . . . 99.99 112.837 -170.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.577 HG12 HD12 ' C' ' 51' ' ' LEU . 47.3 t -125.28 115.82 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.745 -1.205 . . . . 81.86 107.745 168.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -111.67 159.98 17.69 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.522 1.129 . . . . 99.99 109.229 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.631 ' HB2' HD11 ' C' ' 51' ' ' LEU . 44.2 tt0 -125.84 115.28 19.75 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.759 -1.109 . . . . 35.21 108.262 167.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.63 115.01 36.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.102 -1.444 . . . . 29.6 107.102 172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.1 131.97 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.543 -0.91 . . . . 20.9 108.543 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -120.35 103.64 9.38 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.221 -0.659 . . . . 69.19 109.221 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 20.3 ttm180 -83.07 123.54 29.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.565 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.649 ' HB ' HD11 ' C' ' 114' ' ' ILE . 5.7 t -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.822 -1.548 . . . . 14.53 106.822 172.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -127.24 116.99 21.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.66 -0.496 . . . . 20.42 109.66 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.523 HG21 HG21 ' C' ' 114' ' ' ILE . 62.8 t -103.17 123.26 56.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 115.47 -0.786 . . . . 17.7 109.312 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -108.33 144.59 35.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 29.53 109.845 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.79 122.18 20.58 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 106.975 -1.491 . . . . 32.22 106.975 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.8 175.92 11.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.775 0.43 . . . . 59.66 110.08 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 27.0 mt -113.14 17.67 18.55 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.916 -0.772 . . . . 97.29 108.916 163.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.26 -82.86 0.33 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 109.893 -1.283 . . . . 76.35 109.893 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -28.66 13.1 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.769 0.828 . . . . 99.99 109.291 170.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.518 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 11.7 tp10 -73.67 83.26 1.58 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.257 1.423 . . . . 77.02 110.386 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 14.6 m -78.92 122.94 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.037 0.446 . . . . 37.0 110.845 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.99 1.96 Allowed 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.5 1.12 . . . . 34.06 109.248 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -155.98 172.6 18.11 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.938 -1.028 . . . . 39.96 110.798 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.435 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.4 tm? -139.21 146.85 41.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 106.716 -1.587 . . . . 16.54 106.716 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.435 ' N ' HD13 ' C' ' 75' ' ' LEU . 52.4 t -144.8 143.47 30.66 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.726 -0.842 . . . . 10.97 108.726 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -143.81 117.68 9.36 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.174 0.59 . . . . 36.61 109.542 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -120.35 113.09 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.038 -0.727 . . . . 9.25 109.038 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' C' ' 20' ' ' ASP . 48.1 mt-30 -91.15 103.05 15.78 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.07 0.948 . . . . 25.23 108.887 169.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.538 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -82.51 101.91 11.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.217 -0.901 . . . . 10.64 109.993 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.34 143.96 22.17 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 111.018 -0.833 . . . . 10.6 111.018 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.527 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.65 120.17 1.25 Allowed Glycine 0 CA--C 1.499 -0.911 0 N-CA-C 111.467 -0.653 . . . . 19.17 111.467 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.494 HD12 HD11 ' C' ' 51' ' ' LEU . 18.0 mm -89.32 116.18 30.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.729 -0.471 . . . . 30.38 109.729 -176.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' C' ' 13' ' ' ILE . 37.4 m-85 -129.33 116.74 19.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.768 -1.197 . . . . 49.62 107.768 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.595 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 56.5 m -73.55 103.55 4.2 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.205 0.602 . . . . 92.15 110.208 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' C' ' 10' ' ' THR . 6.1 pt -156.63 124.1 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 125.269 1.428 . . . . 99.99 109.091 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' C' ' 54' ' ' ASP . . . -164.33 36.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.394 0.516 . . . . 99.99 112.394 163.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.567 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -70.88 -41.92 61.46 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 109.942 -1.263 . . . . 99.99 109.942 161.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.459 ' HA ' ' SD ' ' C' ' 94' ' ' MET . 44.3 mt 67.21 102.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.162 1.785 . . . . 99.99 112.571 169.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.544 ' H ' ' HB2' ' C' ' 94' ' ' MET . 62.8 tt0 -97.95 15.22 24.67 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.475 0.655 . . . . 99.99 109.764 167.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.83 -114.07 6.38 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 115.211 -0.904 . . . . 99.99 112.224 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' E' ' 443' ' ' ALA . 72.2 p -62.05 -26.22 68.13 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 99.99 112.681 -176.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -79.18 -48.79 13.61 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 118.954 -0.546 . . . . 99.99 110.502 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.544 ' HB2' ' H ' ' C' ' 90' ' ' GLU . 36.7 ttp -65.18 -20.3 66.38 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.804 0.729 . . . . 99.99 110.822 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' E' ' 280' ' ' LEU . . . -61.3 -22.38 64.81 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.67 1.188 . . . . 99.99 111.819 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -61.07 -50.91 71.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.972 0.509 . . . . 99.99 110.178 173.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' E' ' 144' ' ' VAL . 90.6 m -59.28 -38.79 81.03 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.953 0.501 . . . . 99.99 111.251 175.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.558 HD22 HD13 ' E' ' 278' ' ' LEU . 42.8 tp -63.39 -46.34 86.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.259 0.624 . . . . 99.99 111.118 177.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.28 -11.07 57.73 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 114.575 0.59 . . . . 68.51 114.575 -167.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.77 -62.79 1.27 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 117.326 0.563 . . . . 56.52 111.058 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.606 ' HE2' HD11 ' C' ' 13' ' ' ILE . 61.7 t80 -65.7 -49.11 69.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.238 -0.892 . . . . 99.99 111.742 -172.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 77.7 m -64.0 -53.54 47.76 Favored Pre-proline 0 CA--C 1.568 1.645 0 CA-C-O 118.172 -0.918 . . . . 56.59 112.283 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.43 ' HB2' ' HZ ' ' C' ' 133' ' ' PHE . 17.8 Cg_exo -66.64 -26.37 46.29 Favored 'Trans proline' 0 C--N 1.398 3.148 0 C-N-CA 122.146 1.897 . . . . 39.21 113.197 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.85 -41.17 90.83 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.797 0.839 . . . . 71.72 110.355 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -75.43 -42.26 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 114.95 -1.023 . . . . 8.71 111.447 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.527 HD21 ' HA3' ' C' ' 82' ' ' GLY . 95.3 mt -70.19 -35.01 73.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.011 0.524 . . . . 37.06 112.182 -173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.01 -52.03 71.89 Favored Pre-proline 0 CA--C 1.563 1.466 0 N-CA-C 114.432 1.271 . . . . 16.74 114.432 -171.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.18 -40.1 60.77 Favored 'Trans proline' 0 C--N 1.387 2.581 0 C-N-CA 122.477 2.118 . . . . 9.85 114.126 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.4 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.2 m-85 -73.21 -43.11 61.84 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.704 -0.68 . . . . 5.88 110.959 -176.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.64 -36.35 83.53 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 116.281 -0.418 . . . . 7.64 110.779 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.409 ' NE ' ' HB2' ' C' ' 127' ' ' ASN . 33.7 ttt180 -59.85 -53.79 53.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.143 1.377 . . . . 20.64 111.614 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.43 -36.88 79.69 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.839 0.455 . . . . 38.86 110.384 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' C' ' 18' ' ' THR . 48.5 t -62.11 -43.94 97.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.337 0.655 . . . . 13.9 111.657 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.649 HD11 ' HB ' ' C' ' 62' ' ' VAL . 74.7 mt -60.58 -49.01 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.704 0.802 . . . . 8.58 110.187 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . 0.515 HG21 ' HB2' ' B' ' 119' ' ' SER . 51.1 m -63.41 -29.16 70.5 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.05 -0.977 . . . . 8.54 111.392 -177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -69.78 -40.09 76.24 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.125 -0.489 . . . . 6.56 109.779 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.46 ' HE2' ' SD ' ' D' ' 117' ' ' MET . 0.0 OUTLIER -60.42 -36.31 77.87 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.986 0.515 . . . . 5.22 110.864 172.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.3 t -72.55 -36.86 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.583 0.753 . . . . 28.53 110.894 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . 0.743 ' HB3' HE22 ' C' ' 125' ' ' GLN . 83.2 p -74.13 -32.98 63.4 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.997 0.519 . . . . 17.6 111.33 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.474 ' HD3' ' SG ' ' D' ' 113' ' ' CYS . 70.4 mtt-85 -72.02 -34.31 68.74 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.243 -0.889 . . . . 7.72 110.283 174.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.69 -4.37 70.46 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.704 -0.68 . . . . 10.8 112.465 170.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 28.8 p 68.6 21.6 7.92 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.146 2.179 . . . . 15.17 113.157 172.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' C' ' 124' ' ' PRO . 73.7 m-85 -92.98 162.33 28.96 Favored Pre-proline 0 CA--C 1.566 1.58 0 C-N-CA 125.362 1.465 . . . . 24.81 109.566 173.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.528 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 73.8 Cg_endo -69.14 153.97 70.94 Favored 'Trans proline' 0 C--N 1.391 2.781 0 C-N-CA 123.213 2.609 . . . . 29.42 112.811 -174.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.743 HE22 ' HB3' ' C' ' 119' ' ' SER . 14.5 mm-40 -60.21 110.26 1.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.616 0.766 . . . . 72.03 111.436 -172.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.503 HD11 HG21 ' C' ' 40' ' ' VAL . 48.2 tp -110.73 84.78 1.99 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-N 114.723 -1.126 . . . . 59.85 108.399 -175.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.409 ' HB2' ' NE ' ' C' ' 111' ' ' ARG . 6.1 p30 -94.21 132.49 38.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.328 -1.305 . . . . 41.85 109.272 178.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HZ3' ' E' ' 290' ' ' TRP . 1.8 mm? -76.15 149.26 37.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.03 0.532 . . . . 38.57 110.07 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' E' ' 291' ' ' LEU . . . -84.0 148.18 53.07 Favored Pre-proline 0 N--CA 1.482 1.155 0 C-N-CA 123.446 0.699 . . . . 24.62 112.127 -172.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 20.8 Cg_exo -69.19 118.96 6.0 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.639 2.893 . . . . 24.48 113.455 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . 0.448 HG21 HG13 ' E' ' 288' ' ' VAL . 61.4 t -110.68 120.12 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.884 0.873 . . . . 68.05 108.964 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -95.39 66.45 2.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.919 0.866 . . . . 99.99 109.968 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . 0.43 ' HZ ' ' HB2' ' C' ' 103' ' ' PRO . 46.4 p90 -81.78 -19.82 40.45 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.164 0.985 . . . . 99.99 111.073 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.64 -22.8 63.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.656 1.182 . . . . 99.99 112.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -25.85 62.42 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.45 1.1 . . . . 99.99 113.431 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.23 -49.17 73.02 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.755 0.822 . . . . 99.99 110.882 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -82.26 -32.62 29.56 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.538 -0.755 . . . . 99.99 111.733 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -66.52 -40.2 89.03 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.994 0.918 . . . . 99.99 112.336 -171.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . 0.77 ' HB3' ' HB2' ' E' ' 450' ' ' ASN . 4.2 p30 -70.39 -34.9 73.09 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.951 0.5 . . . . 99.99 112.305 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.29 -87.67 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.187 -0.911 . . . . 99.99 111.03 -173.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 90.9 mt 42.12 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 126.245 1.818 . . . . 99.99 114.727 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -66.58 -17.96 65.11 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 125.245 1.418 . . . . 99.99 112.573 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 74.39 20.44 2.56 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.196 1.398 . . . . 99.99 113.329 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 72.26 -71.51 0.13 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 125.286 1.434 . . . . 99.99 111.605 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -142.33 16.93 2.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.224 1.009 . . . . 99.99 110.06 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.42 -70.54 2.62 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 115.7 -0.682 . . . . 99.99 111.85 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -151.44 -38.97 0.12 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.088 0.955 . . . . 99.99 110.23 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.69 -46.56 3.15 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.934 -0.575 . . . . 99.99 113.128 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 9.7 m 65.04 90.47 0.09 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.13 1.372 . . . . 99.99 111.225 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 50.19 18.69 0.43 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 126.651 1.98 . . . . 99.99 113.93 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.448 ' HG2' ' H ' ' C' ' 152' ' ' HIS . 25.5 tt0 -92.45 169.61 10.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.406 1.082 . . . . 99.99 109.538 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . 0.448 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 53.0 m-70 66.67 -79.59 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.032 1.333 . . . . 99.99 109.616 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 69.4 -71.32 0.12 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.471 1.509 . . . . 99.99 112.837 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.6 t70 72.65 -69.93 0.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.71 1.604 . . . . 99.99 111.268 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.514 0.726 . . . . 99.99 110.984 178.038 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 59.74 25.02 13.97 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.24 1.016 . . . . 99.99 112.437 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -134.68 163.42 29.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.697 1.199 . . . . 99.99 108.677 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.81 29.03 6.93 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.923 1.289 . . . . 99.99 108.22 -169.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -178.38 -29.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.857 -1.52 . . . . 99.99 108.641 -175.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 71.09 -72.68 0.11 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.928 1.291 . . . . 99.99 112.543 168.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 61.9 p -59.4 -26.66 65.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.862 0.865 . . . . 99.99 112.767 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 69.37 148.82 0.07 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.118 1.367 . . . . 99.99 110.758 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -34.44 122.89 0.52 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.613 1.165 . . . . 99.99 111.588 166.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t -116.48 119.93 37.15 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.587 -0.894 . . . . 99.99 108.587 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -133.32 106.03 7.29 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.092 -1.077 . . . . 76.43 108.092 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.465 ' HB3' ' H ' ' E' ' 305' ' ' ALA . 27.5 mp0 -126.78 119.23 26.36 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.009 -0.737 . . . . 99.99 109.009 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.534 HD13 HG21 ' D' ' 105' ' ' ILE . 16.1 mt -76.36 134.59 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 107.42 -1.326 . . . . 41.34 107.42 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -95.91 -32.81 12.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.68 0.792 . . . . 79.46 110.683 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -174.81 135.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.448 0.299 . . . . 99.99 110.506 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mp -111.57 133.05 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 107.332 -1.358 . . . . 53.22 107.332 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -163.19 150.96 13.3 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.83 0.852 . . . . 19.87 109.908 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -76.14 129.55 36.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.8 -0.445 . . . . 8.43 109.8 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HD3' HG22 ' D' ' 59' ' ' VAL . 39.6 mtpt -103.55 -17.01 15.36 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.218 0.607 . . . . 36.9 110.2 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.738 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 3.0 t70 -156.87 137.45 13.14 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.604 1.161 . . . . 36.68 108.444 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.409 HD13 ' HE3' ' C' ' 117' ' ' MET . 56.1 mt -138.31 152.18 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.082 1.353 . . . . 4.02 107.409 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 47.7 t -160.1 146.34 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.946 1.299 . . . . 7.64 108.294 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 84.4 t80 -151.88 110.5 3.8 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.939 -2.245 . . . . 5.08 104.939 167.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -125.29 121.06 32.93 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.984 0.811 . . . . 28.73 110.186 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -120.58 82.64 33.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 108.096 -1.076 . . . . 7.19 108.096 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.25 -30.05 38.0 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 122.7 2.267 . . . . 13.41 112.416 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -106.17 15.35 26.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.756 0.822 . . . . 11.97 110.658 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.462 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -44.13 -60.48 2.76 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 114.625 1.342 . . . . 12.01 114.625 -169.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' C' ' 83' ' ' ILE . 51.6 Cg_endo -77.68 -20.57 11.96 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 121.34 1.36 . . . . 20.55 113.459 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -72.9 -44.55 61.14 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.073 1.349 . . . . 22.26 110.223 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' D' ' 73' ' ' ALA . 4.8 p -84.66 -11.95 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.922 -1.036 . . . . 34.6 112.206 -169.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 16.3 m-85 -63.32 -21.4 66.23 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.345 0.498 . . . . 32.96 112.345 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.62 -29.14 70.43 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.723 0.809 . . . . 99.99 110.846 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.53 97.45 10.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.213 1.005 . . . . 31.63 110.303 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -93.8 90.05 6.39 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.604 -0.726 . . . . 99.99 111.414 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -165.99 -175.94 3.58 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.268 1.027 . . . . 49.29 109.642 167.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.2 118.26 71.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.388 0.675 . . . . 99.99 109.914 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.52 136.46 50.48 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 123.098 2.532 . . . . 31.29 112.439 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . 0.503 ' HB2' ' HE3' ' D' ' 41' ' ' LYS . 30.7 mt-10 -60.44 117.54 5.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.949 0.899 . . . . 99.99 109.62 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.512 HG22 HD11 ' D' ' 42' ' ' LEU . 8.5 p -96.58 118.57 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-O 121.799 0.809 . . . . 52.79 109.791 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' D' ' 39' ' ' GLU . 83.3 mttt -129.57 112.69 13.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.343 1.457 . . . . 99.99 108.092 -169.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.771 ' HB3' HH21 ' E' ' 314' ' ' ARG . 0.5 OUTLIER -128.73 140.75 51.58 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 119.231 -0.414 . . . . 74.77 109.934 -168.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.35 135.44 53.87 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 118.482 0.583 . . . . 99.99 110.136 173.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.41 131.14 36.35 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.513 -0.921 . . . . 66.01 108.513 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.76 151.02 31.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.632 -0.877 . . . . 79.72 108.632 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -145.88 144.98 30.55 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.681 -0.859 . . . . 77.52 108.681 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.33 142.3 25.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.786 -0.82 . . . . 38.8 108.786 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 33.5 p -169.78 177.7 4.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.994 0.517 . . . . 48.36 111.183 -170.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 p -162.74 151.2 14.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.597 0.759 . . . . 52.73 109.783 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . 0.657 HE22 ' HA ' ' E' ' 99' ' ' ALA . 62.3 tt0 -78.65 121.59 24.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.545 -0.539 . . . . 99.71 109.545 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.617 ' H ' HD23 ' D' ' 51' ' ' LEU . 1.2 pt? -111.62 -7.61 14.27 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.212 1.005 . . . . 82.32 109.764 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' D' ' 55' ' ' VAL . . . -169.02 156.09 7.06 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.031 0.933 . . . . 96.95 110.086 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -71.68 128.66 36.52 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 165.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 73.34 10.6 5.04 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.738 1.215 . . . . 99.99 112.107 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' D' ' 52' ' ' ALA . 12.1 t -134.16 137.39 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 107.701 -1.222 . . . . 82.8 107.701 172.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' D' ' 58' ' ' VAL . 66.7 t80 -146.25 130.07 17.16 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.9 0.48 . . . . 99.99 110.225 -170.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -100.43 135.55 41.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.598 1.159 . . . . 55.89 108.258 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.612 HG13 HD11 ' D' ' 106' ' ' LEU . 5.9 p -131.51 136.49 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.051 0.54 . . . . 44.56 109.64 173.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' D' ' 19' ' ' LYS . 5.3 t -120.77 103.68 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 107.314 -1.365 . . . . 19.48 107.314 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' D' ' 103' ' ' PRO . 65.9 tp -85.67 116.56 24.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.229 0.612 . . . . 52.2 109.492 -177.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' D' ' 77' ' ' GLU . 16.7 tpp180 -82.2 106.17 13.88 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.65 0.738 . . . . 99.99 109.737 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.43 ' HA ' ' NH1' ' E' ' 314' ' ' ARG . 95.9 t -95.32 135.8 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 114.425 -1.261 . . . . 9.25 108.656 166.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.482 ' H ' ' NH2' ' E' ' 314' ' ' ARG . 96.9 m -134.54 139.51 45.47 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.713 0.805 . . . . 10.79 109.422 172.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.453 HG21 HD13 ' D' ' 114' ' ' ILE . 61.3 t -130.38 101.95 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.418 -0.586 . . . . 9.72 109.418 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 92.7 m -93.4 118.02 30.79 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.815 -0.809 . . . . 19.36 108.815 169.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -112.82 144.66 41.98 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 123.692 0.797 . . . . 11.33 108.874 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 23.3 m -145.56 128.98 16.92 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.714 0.635 . . . . 29.87 112.714 -176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -104.35 115.04 29.68 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.508 -1.293 . . . . 24.97 107.508 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.51 -114.61 3.97 Favored Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.941 -0.366 . . . . 27.84 112.299 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.06 4.27 10.41 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.649 0.779 . . . . 76.3 110.464 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -115.11 155.64 26.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.101 0.56 . . . . 81.89 110.021 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -69.58 118.12 12.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.768 -0.651 . . . . 11.35 110.841 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -68.64 -64.16 0.92 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.96 -0.756 . . . . 10.67 108.96 173.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -151.43 166.75 30.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.191 -0.913 . . . . 7.73 110.446 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' D' ' 64' ' ' VAL . 56.0 mt -126.04 147.76 49.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 106.898 -1.519 . . . . 11.05 106.898 172.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.455 ' SG ' HG12 ' D' ' 114' ' ' ILE . 6.0 t -154.64 105.33 2.61 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.471 -0.566 . . . . 12.97 109.471 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 12.1 mp0 -123.23 130.99 53.5 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.243 1.017 . . . . 47.96 109.238 -170.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.99 114.41 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.366 -0.605 . . . . 5.05 109.366 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 7.7 mt-30 -88.63 91.48 8.83 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.57 -0.9 . . . . 21.68 108.57 167.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -79.72 133.34 36.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.696 -1.138 . . . . 8.01 108.212 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.4 168.62 18.49 Favored Glycine 0 C--O 1.24 0.497 0 O-C-N 123.317 0.386 . . . . 11.29 112.707 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.52 145.63 10.34 Favored Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.698 -0.251 . . . . 22.6 112.915 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.27 116.26 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 107.765 -1.198 . . . . 43.57 107.765 175.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.21 129.44 54.97 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.501 0.72 . . . . 45.01 110.026 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 22.6 m -101.66 117.58 35.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.974 0.91 . . . . 77.58 109.088 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.486 ' H ' HD13 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -132.77 132.65 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.96 0.904 . . . . 88.57 110.152 -173.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.43 172.04 13.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.149 0.579 . . . . 99.99 110.531 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.29 17.74 79.72 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.246 -0.434 . . . . 99.99 112.023 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -142.04 148.43 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.975 1.31 . . . . 99.99 110.117 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.33 -178.4 5.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.448 1.099 . . . . 99.99 109.841 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 -140.0 28.76 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.866 0.27 . . . . 99.99 113.52 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -90.33 -30.87 17.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.415 0.686 . . . . 99.99 111.487 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.46 -31.14 70.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.759 0.824 . . . . 99.99 111.868 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.514 ' HB2' HD13 ' D' ' 89' ' ' ILE . 0.0 OUTLIER -67.96 -44.69 76.16 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.686 -0.688 . . . . 99.99 110.894 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.582 ' HB1' ' HA ' ' E' ' 102' ' ' LEU . . . -83.95 -12.8 54.81 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.778 0.831 . . . . 88.9 112.213 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -66.14 -42.79 88.6 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.888 -0.412 . . . . 99.99 109.888 168.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.57 -27.99 69.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.054 0.542 . . . . 95.17 110.842 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 77.4 mt -85.73 -32.43 21.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 99.99 111.528 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.08 -18.32 59.58 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 123.354 0.409 . . . . 66.02 113.062 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.63 -69.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.523 0.729 . . . . 54.11 110.554 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -61.55 -36.29 80.17 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.094 0.775 . . . . 40.76 113.094 -167.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 76.5 m -69.55 -49.06 23.13 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.561 -0.733 . . . . 34.31 111.228 -178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.478 ' HB3' HD13 ' D' ' 60' ' ' LEU . 80.2 Cg_exo -51.28 -36.11 55.73 Favored 'Trans proline' 0 C--N 1.4 3.286 0 C-N-CA 122.59 2.193 . . . . 28.69 114.33 164.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.608 ' HA ' ' HB3' ' E' ' 312' ' ' PRO . 54.7 m-20 -63.26 -33.26 75.11 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.324 0.65 . . . . 61.29 111.842 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.534 HG21 HD13 ' D' ' 13' ' ' ILE . 42.3 mm -66.51 -41.3 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.448 0.699 . . . . 19.65 110.569 175.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.612 HD11 HG13 ' D' ' 58' ' ' VAL . 83.6 mt -70.94 -34.48 71.53 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.855 -1.066 . . . . 13.09 112.373 -170.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.19 -44.52 83.91 Favored Pre-proline 0 CA--C 1.564 1.515 0 N-CA-C 114.533 1.308 . . . . 10.47 114.533 -169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -44.31 -32.02 4.85 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.266 1.978 . . . . 6.22 114.753 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -85.66 -36.84 20.04 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.585 0.754 . . . . 10.48 112.021 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.22 88.48 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 120.986 0.422 . . . . 4.16 111.255 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.676 HH12 ' HB3' ' D' ' 130' ' ' PRO . 22.4 ttp180 -61.17 -51.61 68.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.606 1.162 . . . . 10.22 110.878 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.25 -39.09 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.89 0.744 . . . . 32.24 110.882 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' C' ' 120' ' ' ARG . 51.3 t -56.12 -44.96 79.65 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.801 0.688 . . . . 3.39 110.25 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.455 HG12 ' SG ' ' D' ' 76' ' ' CYS . 61.8 mt -63.21 -51.87 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.025 -0.989 . . . . 5.37 111.467 175.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 9.5 m -55.64 -37.85 68.76 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.35 0.595 . . . . 7.06 111.094 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 47.9 t -75.17 -33.25 61.44 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.542 -1.208 . . . . 6.71 111.74 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.46 ' SD ' ' HE2' ' C' ' 117' ' ' MET . 71.3 mtm -81.82 -32.71 31.1 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.111 0.414 . . . . 5.08 111.785 -178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.417 HG23 ' O ' ' D' ' 114' ' ' ILE . 72.9 t -64.67 -41.79 93.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.827 0 C-N-CA 123.492 0.717 . . . . 5.65 110.163 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 80.3 p -66.93 -33.2 75.06 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.386 -0.824 . . . . 10.21 110.919 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' D' ' 116' ' ' SER . 63.1 mtt-85 -69.26 -24.56 64.0 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.698 0.799 . . . . 6.99 111.274 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.48 7.18 77.46 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 119.253 -0.749 . . . . 7.43 113.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 16.0 m 70.77 12.64 7.2 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.995 1.318 . . . . 18.26 111.1 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -96.25 153.58 38.98 Favored Pre-proline 0 CA--C 1.552 1.027 0 O-C-N 121.31 -0.869 . . . . 10.7 110.156 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.531 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 18.0 Cg_endo -57.85 136.08 73.07 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.177 2.585 . . . . 20.06 112.881 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -56.8 145.31 29.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.698 0.624 . . . . 16.85 110.169 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 55.1 tp -124.37 116.16 22.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.595 0.236 . . . . 14.84 110.893 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -99.32 107.15 19.35 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.235 -1.395 . . . . 76.73 107.235 171.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.92 116.15 13.07 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 108.739 -0.837 . . . . 20.32 108.739 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.07 70.75 Favored Pre-proline 0 N--CA 1.487 1.378 0 C-N-CA 123.692 0.797 . . . . 28.37 112.701 -168.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.676 ' HB3' HH12 ' D' ' 111' ' ' ARG . 91.7 Cg_endo -87.0 132.12 3.24 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 123.023 2.482 . . . . 32.68 115.977 -177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' E' ' 313' ' ' GLN . 19.7 t -142.11 151.69 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 C-N-CA 125.423 1.489 . . . . 69.78 108.119 173.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.11 111.67 18.45 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 120.029 1.286 . . . . 99.99 110.712 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.599 ' HB3' ' HG2' ' E' ' 313' ' ' GLN . 2.3 p90 -85.24 -3.05 58.69 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.471 0.915 . . . . 99.99 113.471 -173.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.52 -31.46 10.27 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 167.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' D' ' 138' ' ' MET . . . -58.95 -33.69 70.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.229 0.611 . . . . 99.99 111.947 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 tp -71.58 -33.26 68.91 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.526 0.73 . . . . 99.99 110.524 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.439 ' HA ' ' HE2' ' E' ' 109' ' ' TYR . 41.7 m-85 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.762 0.425 . . . . 99.99 110.86 173.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' D' ' 135' ' ' ALA . 41.5 mtt -67.68 -16.61 64.23 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.363 1.065 . . . . 99.99 112.05 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.87 -28.92 69.88 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.561 0.745 . . . . 99.99 111.508 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -75.69 -28.95 58.84 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.186 0.517 . . . . 99.99 110.349 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.08 -27.82 39.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.64 0.776 . . . . 99.99 111.585 -175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -81.27 45.84 0.88 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.365 0.666 . . . . 99.99 112.503 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -112.87 93.59 4.5 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . 0.531 ' HA ' ' HA3' ' D' ' 148' ' ' GLY . 23.5 pt20 -141.22 12.95 2.2 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.519 -1.673 . . . . 99.99 110.096 -171.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.92 65.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.629 0.771 . . . . 99.99 110.324 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.83 -44.02 90.16 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-N 115.709 -0.678 . . . . 99.99 111.741 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' D' ' 149' ' ' THR . 38.6 tt0 -168.03 -69.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.769 0.828 . . . . 99.99 109.173 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . 0.531 ' HA3' ' HA ' ' D' ' 144' ' ' GLN . . . 55.68 51.79 52.6 Favored Glycine 0 C--N 1.357 1.722 0 O-C-N 123.787 0.679 . . . . 99.99 113.934 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . 0.512 HG23 ' HG2' ' D' ' 147' ' ' GLU . 17.4 p -53.65 112.75 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.347 1.059 . . . . 99.99 112.903 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.36 -72.2 0.05 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.708 1.603 . . . . 99.99 113.634 167.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.41 -40.79 60.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.465 1.506 . . . . 99.99 113.17 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -98.23 18.0 17.32 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.261 0.624 . . . . 99.99 112.083 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . 0.427 ' HG2' ' OE1' ' D' ' 144' ' ' GLN . 74.4 mt-30 -107.42 -35.5 6.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.205 1.002 . . . . 99.99 108.859 171.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -164.6 -69.06 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.452 1.101 . . . . 99.99 108.164 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.02 1.328 . . . . 99.99 108.141 178.128 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' B' ' 132' ' ' ASN . 28.0 ttt . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.768 -0.456 . . . . 99.99 109.768 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -118.37 -37.8 3.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.337 1.055 . . . . 99.99 109.292 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 70.0 3.04 4.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.616 1.566 . . . . 99.99 114.103 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 50.7 m 60.33 178.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.564 1.146 . . . . 99.99 112.39 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.422 HG22 HG22 ' E' ' 6' ' ' ILE . 11.6 m 68.19 169.45 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.096 0.959 . . . . 99.99 109.564 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' B' ' 126' ' ' LEU . 15.8 tt -47.77 120.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.229 1.011 . . . . 99.99 111.764 176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.592 ' HA ' ' HG ' ' B' ' 128' ' ' LEU . . . -168.38 -90.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.552 -0.749 . . . . 99.99 109.252 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.728 ' HB3' HG21 ' B' ' 131' ' ' VAL . 7.3 tt -173.61 152.35 2.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.422 1.089 . . . . 99.99 108.648 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.74 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.575 0.75 . . . . 99.99 110.841 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -178.37 116.35 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 99.99 108.677 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.597 HD11 ' HD2' ' E' ' 15' ' ' PHE . 21.5 tp -73.34 130.83 83.68 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 123.323 0.649 . . . . 99.99 110.194 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' E' ' 11' ' ' LEU . 9.8 Cg_exo -73.89 58.01 3.97 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 123.758 2.972 . . . . 99.99 114.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.4 -78.81 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.413 1.485 . . . . 99.99 111.208 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -100.52 -178.74 3.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.972 0.909 . . . . 99.99 109.427 176.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' E' ' 11' ' ' LEU . 0.1 OUTLIER -157.59 164.96 36.74 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.527 0.731 . . . . 99.99 111.34 173.744 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 61.9 m -53.46 -43.65 95.99 Favored Pre-proline 0 N--CA 1.492 1.64 0 CA-C-O 118.221 -0.895 . . . . 99.99 112.829 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.457 ' HG3' ' HB3' ' B' ' 48' ' ' SER . 38.6 Cg_exo -48.88 116.99 2.45 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.74 1.627 . . . . 99.99 111.551 168.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t 74.28 105.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.707 1.203 . . . . 99.99 109.415 -166.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.8 m -125.78 137.31 53.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.228 1.011 . . . . 99.99 109.385 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 63.14 34.28 13.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.118 0.967 . . . . 99.99 110.804 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 91.68 0.29 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.795 -1.093 . . . . 99.99 111.455 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' E' ' 23' ' ' THR . 3.8 ptp180 -174.78 -47.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.61 1.564 . . . . 99.99 107.939 174.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' E' ' 22' ' ' ARG . 10.7 t -82.85 129.29 62.44 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.262 -0.881 . . . . 99.99 111.6 -168.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.77 168.14 16.08 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.755 2.303 . . . . 99.99 110.372 163.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.13 -77.9 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.147 0.579 . . . . 99.99 110.055 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . 0.514 ' HB3' ' HD3' ' E' ' 27' ' ' PRO . 18.8 tmm? 177.07 -54.38 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.457 0 C-N-CA 124.548 1.139 . . . . 99.99 110.231 175.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' E' ' 26' ' ' MET . 3.2 Cg_exo -79.47 131.85 9.72 Favored 'Trans proline' 0 C--N 1.393 2.885 0 C-N-CA 122.433 2.088 . . . . 99.99 111.281 175.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' B' ' 2' ' ' SER . 87.2 t -95.31 -60.07 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.169 0.588 . . . . 99.99 111.601 -173.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -91.46 -60.85 1.78 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.085 -0.384 . . . . 99.99 110.03 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.64 89.73 3.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.428 0.691 . . . . 99.99 109.273 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -59.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.871 0.732 . . . . 99.99 112.394 -169.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 176.9 -88.05 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.71 0.804 . . . . 99.99 109.46 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 166.16 -175.56 0.02 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 126.153 1.781 . . . . 99.99 107.334 -165.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.96 32.09 21.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.731 0.812 . . . . 99.99 111.407 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -90.95 -1.35 57.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.001 0.92 . . . . 99.99 110.402 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.29 -128.63 9.09 Favored Glycine 0 C--N 1.347 1.154 0 N-CA-C 111.45 -0.66 . . . . 99.99 111.45 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -155.65 114.18 3.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.053 -1.092 . . . . 99.99 108.053 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -93.83 14.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 99.99 111.22 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 78.9 p 51.95 -174.17 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.578 1.551 . . . . 99.99 113.253 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.36 92.47 4.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 123.388 0.675 . . . . 99.99 109.586 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -83.82 5.01 6.61 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.719 2.279 . . . . 99.99 112.17 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.43 1.12 Allowed Glycine 0 C--N 1.35 1.351 0 CA-C-N 116.235 -0.438 . . . . 99.99 112.042 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.33 13.83 71.01 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.467 -0.366 . . . . 99.99 112.96 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . 0.579 ' HA ' HG21 ' E' ' 48' ' ' THR . . . -133.76 120.57 20.71 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.535 0.734 . . . . 99.99 110.684 -170.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -172.66 -48.58 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.21 1.004 . . . . 99.99 110.401 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -95.48 100.34 12.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.413 0.685 . . . . 99.99 110.562 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt 60.0 20.37 9.46 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.869 1.268 . . . . 99.99 112.542 176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . 0.579 HG21 ' HA ' ' E' ' 44' ' ' ALA . 36.4 p -84.21 82.34 8.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.851 0.861 . . . . 99.99 110.339 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.92 73.39 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 115.492 -0.777 . . . . 99.99 112.001 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -143.34 150.2 38.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.446 1.098 . . . . 99.99 108.835 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -71.48 -62.09 1.54 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.296 0.238 . . . . 99.99 110.687 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -70.67 -9.74 57.77 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.07 0.948 . . . . 99.99 113.159 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.11 -55.78 3.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.638 1.575 . . . . 99.99 114.572 -166.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 164.57 -28.47 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 124.461 1.104 . . . . 99.99 111.406 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 88.9 mt -43.54 -45.56 6.64 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.568 1.547 . . . . 99.99 114.506 -161.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.65 15.04 2.72 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.6 0.76 . . . . 99.99 110.312 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.32 -30.73 16.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.013 1.325 . . . . 99.99 110.298 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -151.57 -51.41 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.95 -1.023 . . . . 99.99 109.71 -172.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.07 -21.49 63.7 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.301 1.04 . . . . 99.99 112.794 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -136.95 142.4 42.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.252 0.621 . . . . 99.99 110.571 174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 73.14 -63.26 0.44 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 125.893 1.677 . . . . 99.99 112.131 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -72.59 159.29 85.73 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 124.198 0.999 . . . . 99.99 110.829 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.88 111.18 0.59 Allowed 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 123.108 2.539 . . . . 99.99 112.41 173.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.01 -81.55 0.12 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.245 0.618 . . . . 99.99 112.249 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -163.76 96.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 -170.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.48 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.277 1.431 . . . . 99.99 111.556 -177.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 14.4 tt -146.17 -14.8 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 124.257 1.023 . . . . 99.99 111.187 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 67.2 mt 73.92 -63.55 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 126.201 1.8 . . . . 99.99 111.61 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.489 HD21 HD13 ' B' ' 13' ' ' ILE . 1.3 pp -66.62 86.88 0.12 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.283 1.04 . . . . 99.99 111.691 -173.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tt -175.41 -41.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 113.783 -1.553 . . . . 99.99 107.872 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp 56.77 76.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 125.242 1.417 . . . . 99.99 108.582 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -166.96 30.63 0.19 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 114.635 -1.166 . . . . 99.99 111.979 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 61.53 -86.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.488 1.515 . . . . 99.99 112.524 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.58 79.91 0.29 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 111.878 -0.489 . . . . 99.99 111.878 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 17.8 mmt -154.52 153.63 31.78 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.653 1.181 . . . . 99.99 109.97 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.18 127.68 1.58 Allowed Glycine 0 C--N 1.349 1.251 0 N-CA-C 110.984 -0.846 . . . . 99.99 110.984 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.84 -28.37 66.0 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.888 0.875 . . . . 99.99 112.432 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . 0.449 ' HB3' ' SG ' ' B' ' 97' ' ' CYS . 22.8 m -53.55 -46.87 70.38 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.745 0.818 . . . . 99.99 111.522 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -89.12 -40.1 13.15 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.493 1.117 . . . . 99.99 110.294 -175.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.2 -62.29 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.459 0.704 . . . . 99.99 110.609 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 54.5 m 70.8 134.13 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 O-C-N 125.003 1.439 . . . . 99.99 111.559 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 74.18 1.47 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.49 0.662 . . . . 99.99 109.776 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.14 109.8 13.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.809 -1.087 . . . . 99.99 110.456 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -148.03 -38.03 0.19 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.504 0.721 . . . . 99.99 111.058 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' B' ' 139' ' ' ASN . 62.7 t30 68.1 176.27 0.26 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.328 1.051 . . . . 99.99 110.077 -172.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 69.15 93.04 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.725 1.21 . . . . 99.99 111.011 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . 0.608 ' HB2' ' SD ' ' B' ' 138' ' ' MET . . . -144.19 70.41 1.29 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.408 0.683 . . . . 99.99 110.456 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -136.98 135.52 37.72 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.249 1.019 . . . . 99.99 108.445 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.17 157.92 14.96 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.75 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.146 0.978 . . . . 99.99 111.275 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.49 146.07 9.07 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 113.954 0.342 . . . . 99.99 113.954 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.12 -173.09 54.93 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.985 0.462 . . . . 99.99 114.023 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -83.8 92.83 7.84 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.773 0.829 . . . . 99.99 109.648 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -95.95 -176.21 3.63 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.38 1.072 . . . . 99.99 109.466 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -132.34 152.81 51.26 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.377 0.671 . . . . 99.99 110.767 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.3 -15.31 1.87 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.896 1.118 . . . . 99.99 115.896 168.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.52 HD13 HD23 ' E' ' 100' ' ' LEU . 3.2 tt -77.42 -35.8 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 118.099 0.95 . . . . 99.99 111.792 -167.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 48.39 77.82 0.09 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.062 1.345 . . . . 99.99 112.014 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . 0.657 ' HA ' HE22 ' D' ' 50' ' ' GLN . . . 79.98 140.15 0.07 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.384 1.874 . . . . 99.99 111.921 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.52 HD23 HD13 ' E' ' 97' ' ' ILE . 1.4 pp -139.23 67.35 39.39 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.476 0.71 . . . . 99.99 111.032 175.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.41 10.47 3.56 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.508 2.805 . . . . 99.99 112.822 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.582 ' HA ' ' HB1' ' D' ' 95' ' ' ALA . 76.6 mt 66.62 -83.04 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.401 1.48 . . . . 99.99 111.967 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 22.7 p -133.69 32.43 3.57 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.608 1.163 . . . . 99.99 108.894 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.84 -71.65 2.14 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 115.261 -0.881 . . . . 99.99 111.51 -176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.2 -176.32 3.5 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.098 0.959 . . . . 99.99 109.245 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -73.38 97.27 2.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.963 0.505 . . . . 99.99 111.957 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 17.8 m 60.35 -81.03 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.72 1.608 . . . . 99.99 112.758 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . 0.442 ' HE1' ' HB3' ' E' ' 242' ' ' TRP . 67.9 m-70 74.25 -40.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.989 1.716 . . . . 99.99 113.457 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.439 ' HE2' ' HA ' ' D' ' 137' ' ' PHE . 8.5 t80 -63.92 128.71 37.03 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.661 -0.866 . . . . 99.99 108.661 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.58 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.549 0.739 . . . . 99.99 112.065 -171.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.4 69.81 10.44 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.675 -1.232 . . . . 99.99 107.675 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -160.72 -75.67 0.06 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.217 1.407 . . . . 99.99 107.656 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 79.6 tttt 64.42 153.75 0.06 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.768 1.627 . . . . 99.99 112.753 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -152.44 -61.54 0.16 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.878 0.871 . . . . 99.99 109.256 166.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.5 m 70.18 141.73 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.916 1.286 . . . . 99.99 110.962 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.45 32.53 4.43 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 122.208 -0.308 . . . . 99.99 112.488 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -145.16 138.45 14.18 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.141 1.376 . . . . 99.99 107.83 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.59 103.52 0.19 Allowed 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.052 2.501 . . . . 99.99 112.202 -175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.67 -175.79 4.62 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.584 0.754 . . . . 99.99 109.094 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.26 122.89 14.3 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.78 0.832 . . . . 99.99 109.91 168.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' E' ' 316' ' ' ASP . 82.1 t 63.44 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.167 0.987 . . . . 99.99 109.89 -174.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -158.17 -28.55 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.201 1.0 . . . . 99.99 111.386 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.62 -89.84 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.867 0.867 . . . . 99.99 112.523 -167.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -168.3 176.07 6.11 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.836 1.254 . . . . 99.99 109.444 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.03 178.15 4.49 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.049 0.94 . . . . 99.99 110.076 171.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.9 166.18 14.81 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.684 0.794 . . . . 96.83 111.758 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -148.83 -179.7 7.19 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.078 0.951 . . . . 99.99 110.533 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.82 -170.9 2.54 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.679 0.792 . . . . 74.48 110.318 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -131.92 140.31 49.0 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.959 0.504 . . . . 99.99 111.742 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -177.36 152.02 0.82 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.656 1.582 . . . . 99.99 108.873 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -166.21 -172.7 2.34 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 122.83 0.452 . . . . 99.99 109.962 -177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 51.1 p -93.54 171.3 8.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.373 0.669 . . . . 99.99 111.227 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 124' ' ' PRO . 26.0 p -91.4 -69.54 0.73 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.453 0.701 . . . . 99.99 110.555 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 132.86 125.07 2.6 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.243 -0.743 . . . . 89.58 111.243 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.61 HG21 ' HB2' ' A' ' 127' ' ' ASN . 9.0 t -101.05 138.69 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.318 0.647 . . . . 99.99 110.566 -171.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -137.62 -173.02 3.37 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.664 1.186 . . . . 99.99 110.286 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.445 HG21 ' H ' ' E' ' 465' ' ' LYS . 14.8 m 70.67 77.22 0.19 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.586 1.554 . . . . 99.99 111.422 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' A' ' 130' ' ' PRO . 75.8 m-85 -135.1 79.1 1.77 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.654 -1.157 . . . . 99.99 109.314 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -138.26 25.56 2.69 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 113.879 -1.51 . . . . 99.99 108.397 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 164.68 57.3 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.118 -0.947 . . . . 99.99 110.97 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -87.62 -175.27 5.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.467 0.707 . . . . 99.99 111.214 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' C' ' 101' ' ' TYR . 59.9 tp -53.67 -41.6 67.02 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.68 1.192 . . . . 99.99 111.939 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.83 138.96 5.58 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.889 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.478 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 4.6 p -157.62 133.63 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 123.735 0.814 . . . . 99.99 110.108 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.43 115.1 6.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.118 1.367 . . . . 99.99 108.204 176.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . 0.46 HD11 ' H ' ' C' ' 88' ' ' GLY . 18.6 tt -157.5 140.82 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 122.869 0.467 . . . . 99.99 110.358 -173.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -138.74 151.56 47.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.635 1.174 . . . . 99.99 108.22 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -67.86 151.19 47.56 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.791 0.805 . . . . 99.99 112.194 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.442 ' HD2' ' HB ' ' C' ' 89' ' ' ILE . 36.7 mttm -137.74 159.93 40.63 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.585 1.554 . . . . 99.99 108.511 171.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.25 107.95 0.37 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.68 -39.55 4.66 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-N 114.434 -1.257 . . . . 99.99 113.48 -165.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -53.43 108.24 0.26 Allowed 'Trans proline' 0 C--N 1.391 2.763 0 C-N-CA 121.735 1.623 . . . . 99.99 112.907 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 9.5 t -150.64 160.24 43.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.454 1.102 . . . . 99.99 109.677 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 47.1 mm -64.47 -28.93 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 99.99 110.488 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -24.12 64.36 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.801 1.241 . . . . 99.99 113.237 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.39 -35.55 80.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.347 0.659 . . . . 99.99 110.65 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.9 mtm -99.1 -53.24 3.31 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.868 0.867 . . . . 99.99 111.051 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 60.37 23.24 12.77 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.978 1.311 . . . . 99.99 112.078 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -1.64 34.84 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.155 0.982 . . . . 99.99 113.024 -173.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.31 74.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.644 0.778 . . . . 99.99 111.371 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -113.92 150.8 33.18 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 123.532 0.733 . . . . 99.99 109.493 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -161.32 151.87 22.26 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 110.972 -0.851 . . . . 99.99 110.972 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . 0.663 HD23 ' H ' ' E' ' 163' ' ' LEU . 1.6 pt? -77.25 100.27 5.78 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.333 0.587 . . . . 99.99 110.401 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.89 76.54 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.978 0.911 . . . . 99.99 111.122 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 27.4 m 69.38 -74.04 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.642 1.577 . . . . 99.99 111.813 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.45 71.52 1.12 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.181 -0.768 . . . . 99.99 111.181 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -80.82 16.5 1.42 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.775 0.83 . . . . 99.99 112.217 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.66 10.87 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 C-N-CA 124.435 1.094 . . . . 99.99 110.365 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 20.4 m -54.46 -40.25 68.23 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 99.99 113.443 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . 0.482 ' HB ' ' NE2' ' E' ' 252' ' ' GLN . 12.9 m 61.45 -77.36 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.136 1.374 . . . . 99.99 112.547 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 71.53 -55.81 0.65 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.854 1.662 . . . . 99.99 112.609 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.98 -75.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.676 1.59 . . . . 99.99 111.552 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.7 135.56 34.87 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -63.44 127.83 33.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.95 0.9 . . . . 99.99 111.931 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -112.93 -137.73 0.37 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 108.317 -0.994 . . . . 99.99 108.317 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 68.86 -175.03 0.2 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 124.63 1.172 . . . . 99.99 111.755 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.7 p -77.71 125.44 85.78 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.064 0.546 . . . . 99.99 109.675 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -80.79 6.34 5.57 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.055 2.503 . . . . 99.99 114.383 -167.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -169.81 -54.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 99.99 110.679 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -83.57 -170.0 2.84 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.578 -0.737 . . . . 99.99 112.114 -174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 pp -92.59 171.33 9.08 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 123.539 0.735 . . . . 99.99 109.796 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.43 127.2 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.811 0.845 . . . . 99.99 110.99 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 70.4 -82.18 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.61 1.564 . . . . 99.99 111.83 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 59.9 -74.37 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.549 1.54 . . . . 99.99 113.23 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.81 -41.89 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.821 0.848 . . . . 99.99 110.065 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 33.1 p -90.32 40.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.037 0.935 . . . . 99.99 110.767 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 49.5 p -89.77 168.41 12.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 99.99 111.067 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -80.41 146.71 31.33 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.271 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 69.25 -74.92 0.07 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 124.836 1.254 . . . . 99.99 111.165 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 38.9 t -163.26 -59.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.399 1.079 . . . . 99.99 109.165 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 59.2 t80 55.68 -85.27 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.632 1.573 . . . . 99.99 112.388 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -73.18 115.38 5.12 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-O 119.016 -0.88 . . . . 99.99 112.537 -172.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.49 126.87 20.22 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.436 2.09 . . . . 99.99 110.816 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 27.9 m 69.76 110.08 0.05 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.676 1.235 . . . . 99.99 110.544 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -80.83 -151.91 0.08 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.787 0.835 . . . . 99.99 110.574 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 49.5 m -52.83 -44.42 66.68 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.721 0.808 . . . . 99.99 110.862 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 40.3 m -83.08 121.2 26.72 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 168.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.02 -36.49 84.57 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.375 1.07 . . . . 99.99 113.499 -168.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.704 ' HB2' HD21 ' E' ' 203' ' ' ASN . 95.0 mttt -114.76 -18.14 11.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.039 0.536 . . . . 99.99 110.167 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.456 ' HB3' ' HD3' ' E' ' 201' ' ' PRO 0.301 49.9 t 102.26 -72.03 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.703 0 C-N-CA 127.366 2.266 . . . . 99.99 113.585 172.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' E' ' 200' ' ' CYS . 2.7 Cg_endo -79.47 84.15 2.1 Favored 'Trans proline' 0 C--N 1.395 3.012 0 CA-C-N 123.214 2.184 . . . . 99.99 112.765 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 80.74 106.3 0.3 Allowed Glycine 0 N--CA 1.472 1.089 0 CA-C-N 116.229 -0.441 . . . . 99.99 113.198 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . 0.704 HD21 ' HB2' ' E' ' 199' ' ' LYS . 22.1 m120 -135.17 -74.38 0.46 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.942 0.897 . . . . 99.99 109.693 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.48 -176.68 3.0 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.875 0.87 . . . . 99.99 109.637 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 1.5 tt 75.38 132.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 125.184 1.394 . . . . 99.99 109.183 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 77.16 -16.93 0.6 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 126.055 1.742 . . . . 99.99 112.804 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -159.35 126.5 4.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.848 0.859 . . . . 99.99 109.475 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -170.73 33.54 0.16 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.246 -1.142 . . . . 99.99 110.246 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.62 109.1 2.69 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 114.867 -0.666 . . . . 99.99 111.945 -174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -92.02 1.26 57.31 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.513 1.125 . . . . 99.99 111.452 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -70.09 84.58 0.31 Allowed Glycine 0 C--N 1.353 1.489 0 C-N-CA 123.139 0.399 . . . . 99.99 112.856 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 17.6 t 63.65 106.79 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.98 1.712 . . . . 99.99 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 52.0 mm -122.14 -63.72 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.913 0.885 . . . . 99.99 109.719 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 15.3 t -166.19 24.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 122.076 0.941 . . . . 99.99 111.303 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . 0.531 ' HB3' ' HG3' ' E' ' 221' ' ' ARG . 0.6 OUTLIER -72.26 -9.21 58.17 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.995 1.318 . . . . 99.99 113.348 179.481 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.2 -39.65 2.12 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.671 1.588 . . . . 99.99 113.722 -166.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 6.8 tt -143.54 -50.42 0.32 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.732 -0.469 . . . . 99.99 109.732 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.93 100.36 0.41 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.65 0.78 . . . . 99.99 111.663 -166.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 17.3 m120 68.73 -0.39 2.36 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.484 1.514 . . . . 99.99 113.674 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 47.69 52.93 11.98 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 123.686 0.795 . . . . 99.99 109.704 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' E' ' 215' ' ' GLU . 81.4 mtt180 76.18 -66.7 0.25 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.989 1.716 . . . . 99.99 111.277 -170.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 58.65 87.72 0.07 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.305 1.042 . . . . 99.99 108.693 -164.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -65.93 96.59 0.31 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.541 -0.754 . . . . 99.99 110.854 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.4 m -110.19 169.68 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.889 0.875 . . . . 99.99 110.183 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 9.0 t -77.46 158.71 29.84 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.043 0.537 . . . . 99.99 110.28 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 69.1 mt 62.48 99.98 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.721 1.208 . . . . 99.99 111.625 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -144.38 18.1 2.08 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.986 -0.341 . . . . 99.99 113.058 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.17 63.26 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 123.318 0.485 . . . . 99.99 113.601 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 163.86 73.3 0.03 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.124 -0.79 . . . . 99.99 111.124 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -79.14 70.78 5.57 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.813 0.845 . . . . 99.99 111.077 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 55.87 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 125.75 1.62 . . . . 99.99 112.953 174.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 7.3 m -146.95 41.12 1.09 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.966 0.888 . . . . 99.99 108.655 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 66.88 -77.75 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.714 1.606 . . . . 99.99 112.591 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -145.09 35.01 1.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.799 0.84 . . . . 99.99 110.437 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 64.34 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.36 1.464 . . . . 99.99 110.574 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 3.6 t -115.69 -34.08 4.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.798 1.239 . . . . 99.99 110.484 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.76 1.624 . . . . 99.99 114.173 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 22.5 m 60.05 88.24 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.628 1.171 . . . . 99.99 110.827 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -79.49 69.07 5.68 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.637 0.775 . . . . 99.99 111.453 -172.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 63.21 -145.9 50.2 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 119.474 -0.626 . . . . 99.99 112.438 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.46 -77.36 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.611 1.565 . . . . 99.99 110.513 176.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . 0.442 ' HB3' ' HE1' ' E' ' 108' ' ' HIS . 11.9 m-90 -59.58 -31.5 69.5 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.166 0.987 . . . . 99.99 110.226 171.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -96.6 116.11 28.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 169.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -71.2 -32.77 65.27 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.04 -0.424 . . . . 99.99 112.04 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp 60.23 46.62 10.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.393 1.077 . . . . 99.99 109.662 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.561 HG22 ' HB3' ' E' ' 250' ' ' GLN . 52.1 m 76.95 -26.15 0.19 Allowed 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 125.541 1.536 . . . . 99.99 112.698 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.447 ' HA ' ' OE1' ' E' ' 250' ' ' GLN . 89.4 mt -50.46 -35.39 28.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.91 1.284 . . . . 99.99 113.476 -174.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -77.68 -59.5 2.76 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.271 0.629 . . . . 99.99 112.33 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' E' ' 327' ' ' LYS . 22.2 mp0 -83.98 -14.54 50.55 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.1 0.778 . . . . 99.99 113.1 -167.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.561 ' HB3' HG22 ' E' ' 246' ' ' THR . 17.3 pt20 -50.5 -53.65 28.33 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.867 1.062 . . . . 99.99 113.867 -168.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -90.79 -16.27 28.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.543 -0.753 . . . . 99.99 112.483 -170.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . 0.482 ' NE2' ' HB ' ' E' ' 170' ' ' THR . 18.0 pt20 -77.43 -23.53 50.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 117.673 0.215 . . . . 99.99 110.972 -178.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -90.9 -69.81 0.71 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.284 -0.636 . . . . 99.99 109.284 173.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 32.7 49.86 0.18 Allowed 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 126.787 2.035 . . . . 99.99 113.99 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -91.24 61.01 2.95 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.516 -0.765 . . . . 99.99 113.53 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -75.97 164.63 25.98 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.353 0.661 . . . . 99.99 110.851 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -88.92 -44.08 10.7 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.412 0.523 . . . . 99.99 112.412 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 93.1 mt 71.45 -171.98 0.16 Allowed 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.424 1.09 . . . . 99.99 110.064 -162.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 21.8 t 61.58 25.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 122.992 1.377 . . . . 99.99 110.14 -175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 11.4 m -88.31 -4.86 58.62 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.369 -1.287 . . . . 99.99 113.237 -167.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -126.34 -71.23 0.7 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.287 0.635 . . . . 99.99 112.092 -164.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.39 85.83 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.07 0.548 . . . . 99.99 112.05 -170.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.02 98.34 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.856 0.722 . . . . 99.99 110.828 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' E' ' 430' ' ' ASP . 50.2 m -71.64 -34.27 69.63 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.339 -0.846 . . . . 99.99 111.119 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt 69.6 125.31 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.49 1.516 . . . . 99.99 110.378 -166.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -70.11 79.31 0.5 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.111 0.964 . . . . 99.99 110.45 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 23.2 p -175.99 -89.73 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.736 1.215 . . . . 99.99 109.346 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 22.0 t 26.16 -89.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 127.615 2.366 . . . . 99.99 115.004 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 20.7 m -144.45 -29.55 0.48 Allowed 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 119.205 -0.426 . . . . 99.99 111.176 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 73.36 -61.89 0.49 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.09 1.356 . . . . 99.99 109.907 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -72.0 4.74 3.17 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.834 1.254 . . . . 99.99 112.708 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -42.0 -41.93 2.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.137 2.175 . . . . 99.99 114.355 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -56.4 -17.04 6.78 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.857 1.263 . . . . 99.99 113.548 -167.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.49 -43.48 85.26 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.833 0.453 . . . . 99.99 112.099 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.607 ' HB2' ' HA3' ' E' ' 279' ' ' GLY . 0.0 OUTLIER -112.95 150.56 43.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 C-N-CA 122.943 0.497 . . . . 99.99 109.771 179.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.72 -79.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.036 1.824 . . . . 99.99 112.083 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.514 ' HB2' ' HB ' ' E' ' 435' ' ' THR . 1.8 pt? -146.37 -37.48 0.24 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.504 -0.925 . . . . 99.99 108.504 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.558 HD13 HD22 ' C' ' 98' ' ' LEU . 2.0 tm? -102.07 98.27 8.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 106.354 -1.721 . . . . 99.99 106.354 165.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . 0.607 ' HA3' ' HB2' ' E' ' 275' ' ' LYS . . . -148.14 77.86 0.24 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.496 -0.774 . . . . 99.99 112.252 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.504 ' HB2' ' HB1' ' C' ' 95' ' ' ALA . 9.8 tt -53.08 -43.92 67.15 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.175 -1.046 . . . . 99.99 108.175 164.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -66.31 89.28 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.235 -1.348 . . . . 99.99 110.929 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -172.81 -63.98 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.421 -1.325 . . . . 99.99 107.421 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -107.08 -55.62 2.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.127 -0.942 . . . . 99.99 110.061 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -86.45 136.82 14.44 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.488 -0.618 . . . . 99.99 112.314 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -175.48 138.65 0.41 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.395 1.078 . . . . 99.99 109.333 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -66.08 128.0 93.55 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 123.344 0.658 . . . . 99.99 110.369 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.79 86.37 1.39 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.736 2.291 . . . . 99.99 112.023 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.448 HG13 HG21 ' C' ' 131' ' ' VAL . 97.2 t -78.26 90.04 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 115.389 -0.823 . . . . 99.99 108.815 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -94.17 150.98 19.82 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.077 0.951 . . . . 99.99 109.848 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' C' ' 128' ' ' LEU . 76.3 t-105 -74.59 157.59 35.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.558 0.743 . . . . 99.99 111.301 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' C' ' 129' ' ' ALA . 5.0 mp -65.18 -54.85 23.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.298 1.439 . . . . 99.99 111.587 -172.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 162.17 176.1 33.9 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-O 119.174 -0.792 . . . . 99.99 112.948 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.39 136.89 56.58 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.622 2.881 . . . . 99.99 113.247 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' E' ' 294' ' ' LYS . 0.8 OUTLIER -146.42 173.19 12.5 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.243 0.617 . . . . 99.99 109.785 -174.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . 0.42 ' H ' ' HG3' ' E' ' 294' ' ' LYS . . . -66.37 90.61 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.683 0.793 . . . . 99.99 110.427 177.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.414 HG23 HD22 ' C' ' 126' ' ' LEU . 5.1 m -116.18 23.03 12.46 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.174 0.99 . . . . 99.99 109.757 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -127.64 135.65 50.53 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.306 1.042 . . . . 99.99 109.301 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -95.08 129.21 42.26 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.905 -1.146 . . . . 99.99 107.905 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -68.99 174.03 34.07 Favored Glycine 0 C--O 1.25 1.146 0 O-C-N 123.616 0.573 . . . . 99.99 113.864 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 18.1 m120 73.45 -74.56 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.414 1.486 . . . . 99.99 111.018 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 55.9 mt 75.09 -45.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 C-N-CA 125.736 1.614 . . . . 99.99 113.245 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.38 139.06 40.8 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.646 -0.659 . . . . 99.99 110.709 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' E' ' 303' ' ' LYS . 34.9 mmtt -147.92 75.48 10.86 Favored Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 124.943 1.297 . . . . 99.99 107.931 173.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.82 154.74 38.94 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.646 2.231 . . . . 99.99 111.677 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.465 ' H ' ' HB3' ' D' ' 12' ' ' GLN . . . 67.13 15.59 10.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.345 1.058 . . . . 99.99 113.223 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.11 139.07 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 81.7 p -135.2 163.37 30.1 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 99.99 110.485 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 47.3 t -144.36 144.26 31.35 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 35.9 m -60.6 112.43 5.59 Favored Pre-proline 0 CA--C 1.554 1.134 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.27 99.8 1.16 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.788 2.325 . . . . 99.99 111.806 -173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' D' ' 130' ' ' PRO . 24.0 m120 -113.14 87.5 10.86 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 123.522 0.729 . . . . 99.99 109.552 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.608 ' HB3' ' HA ' ' D' ' 104' ' ' ASN . 16.4 Cg_endo -93.68 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 124.385 3.39 . . . . 99.99 113.765 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . 0.599 ' HG2' ' HB3' ' D' ' 133' ' ' PHE . 2.0 mm-40 67.47 138.59 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 125.269 1.427 . . . . 99.99 112.662 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.771 HH21 ' HB3' ' D' ' 42' ' ' LEU . 0.3 OUTLIER 179.27 75.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.297 1.039 . . . . 99.99 108.726 -171.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . 0.51 HD22 HG12 ' E' ' 318' ' ' VAL . 24.3 p-10 -166.19 -67.52 0.03 OUTLIER 'General case' 0 C--O 1.244 0.814 0 CA-C-N 116.015 -0.539 . . . . 99.99 109.77 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . 0.757 ' HA ' HG13 ' E' ' 121' ' ' VAL . 12.6 t70 51.69 -79.21 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.251 1.02 . . . . 99.99 109.754 -159.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 27.3 t -73.3 108.69 6.32 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.67 1.188 . . . . 99.99 110.288 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . 0.51 HG12 HD22 ' E' ' 315' ' ' ASN . 32.8 m -86.19 121.26 72.69 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.168 0.587 . . . . 99.99 110.81 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' E' ' 322' ' ' ALA . 88.4 Cg_endo -84.76 -1.2 9.49 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.845 2.363 . . . . 99.99 112.292 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 29.9 m 73.81 -65.51 0.35 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.136 1.775 . . . . 99.99 112.092 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.622 HD23 ' SD ' ' E' ' 324' ' ' MET . 3.5 mp -79.93 -68.68 0.65 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.664 0.786 . . . . 99.99 110.1 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' E' ' 319' ' ' PRO . . . 53.66 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.199 1.4 . . . . 99.99 111.94 -172.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -87.52 -64.16 1.19 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.957 0.503 . . . . 99.99 110.825 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.622 ' SD ' HD23 ' E' ' 321' ' ' LEU . 22.3 ptt? 45.26 21.23 0.06 Allowed 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 126.045 1.738 . . . . 99.99 114.613 -175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 47.2 p 48.71 -77.13 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 126.154 1.782 . . . . 99.99 112.519 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.46 156.35 35.13 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.35 1.06 . . . . 99.99 109.397 175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' E' ' 249' ' ' GLU . 1.0 OUTLIER -130.63 -9.41 4.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.364 0.666 . . . . 99.99 110.772 179.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.72 5.15 14.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.752 0.821 . . . . 99.99 112.124 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.84 -31.94 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.772 1.229 . . . . 99.99 111.578 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.06 72.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.968 0.907 . . . . 99.99 112.736 -177.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.09 -39.47 90.05 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.007 -0.738 . . . . 99.99 109.007 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.52 173.37 12.04 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.436 171.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.6 m 65.47 18.99 11.48 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.671 0.789 . . . . 99.99 111.692 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 56.5 32.84 21.52 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.686 1.594 . . . . 99.99 112.426 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.47 88.92 0.09 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.112 0.965 . . . . 99.99 110.915 -175.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.71 153.53 30.82 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.477 0.311 . . . . 99.99 110.539 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' E' ' 416' ' ' ASP . 17.4 tppt? -165.91 152.95 9.94 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.921 0.488 . . . . 99.99 110.671 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.35 14.83 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.802 -0.636 . . . . 99.99 111.538 171.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.74 -44.63 13.17 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.017 -0.735 . . . . 99.99 109.017 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 53.78 -100.11 0.1 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 125.954 1.701 . . . . 99.99 113.281 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.38 -8.33 23.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.556 0.742 . . . . 99.99 111.253 -172.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.06 146.74 50.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.567 0.747 . . . . 99.99 110.498 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.99 141.29 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.884 0.874 . . . . 99.99 109.545 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . 0.48 ' HG3' ' H ' ' E' ' 407' ' ' GLY . 1.5 pm0 -76.87 133.91 39.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.977 0.511 . . . . 99.99 109.719 176.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -172.21 -59.46 0.04 OUTLIER Glycine 0 C--N 1.34 0.779 0 N-CA-C 110.247 -1.141 . . . . 99.99 110.247 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -75.43 -21.61 58.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.225 0.61 . . . . 99.99 109.693 169.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.3 t -65.42 88.92 0.09 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.951 0.9 . . . . 99.99 108.579 168.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.83 154.39 7.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.964 0.906 . . . . 99.99 109.763 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.72 129.2 55.36 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.814 -0.81 . . . . 99.99 108.814 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -71.54 144.12 49.7 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.815 0.697 . . . . 99.99 110.624 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -141.93 -25.55 0.67 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.254 1.021 . . . . 99.99 110.43 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 65.02 -176.05 0.17 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.124 1.37 . . . . 99.99 111.562 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -79.83 -38.59 32.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.797 0.439 . . . . 99.99 110.011 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 69.43 134.92 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.498 1.519 . . . . 99.99 111.945 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.68 100.15 1.81 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.739 -0.664 . . . . 99.99 109.661 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 63.28 83.5 0.2 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 124.305 1.042 . . . . 99.99 109.967 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.43 -64.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.883 2.389 . . . . 99.99 112.448 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 4.4 p -172.12 130.95 0.62 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.18 0.592 . . . . 99.99 110.606 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.2 1.64 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 110.598 -1.001 . . . . 99.99 110.598 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.5 -54.82 12.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.641 1.176 . . . . 99.99 111.128 -172.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 12.7 tt -135.99 114.92 15.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 108.453 -0.943 . . . . 99.99 108.453 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 126.33 -176.54 17.51 Favored Glycine 0 C--O 1.242 0.626 0 N-CA-C 110.823 -0.911 . . . . 99.99 110.823 -169.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 63.29 114.28 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.696 1.198 . . . . 99.99 110.858 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 23.9 m 68.98 -60.7 0.44 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 125.357 1.463 . . . . 99.99 111.457 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.46 107.3 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 123.698 0.799 . . . . 99.99 109.553 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -126.52 174.64 8.5 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.421 1.088 . . . . 99.99 109.997 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.39 -46.61 89.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 99.99 111.08 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.69 -35.15 79.44 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.24 0.616 . . . . 99.99 110.147 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.86 -34.9 70.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.935 0.894 . . . . 99.99 111.826 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.31 -14.89 58.76 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 113.542 0.942 . . . . 99.99 113.542 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.68 -23.75 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 C-N-CA 123.835 0.854 . . . . 99.99 112.542 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -58.26 -21.16 47.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.087 1.355 . . . . 99.99 113.393 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' E' ' 374' ' ' ALA . 0.0 OUTLIER -60.12 -26.54 66.32 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.741 0.416 . . . . 99.99 111.783 175.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' E' ' 373' ' ' ARG . . . -86.47 -27.14 24.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 99.99 111.377 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 35.5 tp -86.83 -15.79 38.11 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.936 0.895 . . . . 99.99 112.627 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -18.99 5.44 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.822 1.415 . . . . 99.99 114.822 -175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -53.98 -41.92 68.41 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.973 0.509 . . . . 99.99 111.11 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.98 67.87 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.266 1.026 . . . . 99.99 110.756 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.13 -14.69 57.44 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.066 -0.97 . . . . 99.99 111.403 174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 72.44 -66.56 0.3 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.95 1.7 . . . . 99.99 110.801 -175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -120.48 -35.72 3.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.458 1.103 . . . . 99.99 109.373 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.45 -76.57 2.2 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.465 -0.789 . . . . 99.99 112.652 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' E' ' 386' ' ' VAL . 92.4 m-20 -89.75 70.33 7.7 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.02 0.914 . . . . 99.99 109.817 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 49.3 p -79.22 96.47 5.92 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.28 -1.327 . . . . 99.99 110.069 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.62 12.69 8.77 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.833 1.253 . . . . 99.99 109.744 -172.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' E' ' 383' ' ' ASN . 60.4 t -101.85 108.31 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.775 0.83 . . . . 99.99 109.087 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.36 119.55 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 107.745 -1.205 . . . . 99.99 107.745 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.09 115.08 3.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 108.006 -1.109 . . . . 99.99 108.006 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 30.9 m -69.7 106.51 3.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.363 0.665 . . . . 99.99 110.893 -168.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -160.15 86.86 0.77 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.75 120.68 43.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.643 0.777 . . . . 99.99 110.302 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 67.77 111.73 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.685 1.194 . . . . 99.99 111.021 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -68.4 -174.79 0.56 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.762 0.825 . . . . 99.99 109.536 167.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -61.98 -43.37 98.98 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 109.392 -0.596 . . . . 99.99 109.392 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 60.83 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.038 1.735 . . . . 99.99 114.87 160.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 17.8 m -51.09 -65.94 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.238 1.415 . . . . 99.99 113.196 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 50.2 84.92 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.432 1.093 . . . . 99.99 111.265 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.08 -55.72 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 108.354 -0.98 . . . . 99.99 108.354 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.01 137.1 58.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.58 -1.191 . . . . 99.99 107.91 168.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -115.86 80.74 9.01 Favored Pre-proline 0 N--CA 1.477 0.911 0 N-CA-C 109.003 -0.739 . . . . 99.99 109.003 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.26 154.08 28.29 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.222 1.948 . . . . 99.99 112.492 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.76 125.55 27.14 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.792 0.837 . . . . 99.99 108.764 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.7 t 49.11 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 126.11 1.764 . . . . 99.99 112.701 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' E' ' 404' ' ' LYS . 0.0 OUTLIER -79.47 169.74 17.6 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 121.435 -0.79 . . . . 99.99 111.143 174.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -159.29 108.01 1.53 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 109.098 -0.704 . . . . 99.99 109.098 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.35 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.98 2.453 . . . . 99.99 112.973 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . 0.48 ' H ' ' HG3' ' E' ' 344' ' ' GLU . . . 89.35 -58.77 3.83 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 116.063 -0.517 . . . . 99.99 112.087 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 81.5 mt 53.07 50.3 18.17 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.32 1.048 . . . . 99.99 110.482 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 58.3 m -61.7 99.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.047 -0.979 . . . . 99.99 110.58 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 76.82 -62.68 0.4 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.261 1.824 . . . . 99.99 110.874 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -162.83 -67.79 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.484 0.713 . . . . 99.99 110.592 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.47 ' HG ' ' H ' ' E' ' 414' ' ' THR . 2.5 pt? -137.53 -176.74 4.51 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.32 0.648 . . . . 99.99 110.366 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.25 -34.36 60.59 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.484 1.113 . . . . 99.99 112.518 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . 0.47 ' H ' ' HG ' ' E' ' 412' ' ' LEU . 32.3 m -66.55 -73.18 0.14 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.183 0.593 . . . . 99.99 110.229 176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 173.85 -73.03 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.93 1.292 . . . . 99.99 107.97 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' E' ' 337' ' ' LYS . 10.8 p-10 -111.36 -39.9 4.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.002 1.321 . . . . 99.99 110.319 -172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 141.73 -54.5 0.62 Allowed Glycine 0 C--N 1.346 1.094 0 N-CA-C 110.986 -0.846 . . . . 99.99 110.986 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 60.43 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.904 1.282 . . . . 99.99 109.88 -172.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 4.6 p 48.19 21.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 C-N-CA 126.702 2.001 . . . . 99.99 114.726 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -85.22 138.55 32.27 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.439 -0.578 . . . . 99.99 109.439 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 2.8 p -161.82 -60.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.647 0.779 . . . . 99.99 109.171 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 1.5 tpt -144.74 18.82 1.65 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.62 0.724 . . . . 99.99 109.5 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.7 m -82.43 33.44 0.41 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.65 1.18 . . . . 99.99 111.791 -172.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -113.2 86.8 2.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.616 1.166 . . . . 99.99 110.013 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -67.11 96.38 0.32 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -74.04 -69.69 0.43 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.004 0.521 . . . . 99.99 110.627 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 15.3 m -153.43 -20.81 0.14 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.585 0.754 . . . . 99.99 110.962 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 57.03 42.43 26.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.17 1.388 . . . . 99.99 108.919 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.11 3.5 34.53 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 114.349 -1.296 . . . . 99.99 113.894 -161.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . 0.59 ' HB3' ' HA ' ' E' ' 264' ' ' SER . 7.6 p-10 -72.73 -18.99 61.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.85 0.46 . . . . 99.99 111.674 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.2 p -57.68 -55.12 38.94 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.053 0.941 . . . . 99.99 112.004 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' E' ' 432' ' ' GLN . 0.6 OUTLIER -90.83 -0.52 57.74 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.212 0.605 . . . . 99.99 111.446 170.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' E' ' 434' ' ' HIS 0.25 6.0 pt-20 41.34 -82.67 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.461 2.304 . . . . 99.99 113.952 -173.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . 0.644 ' H ' ' HG3' ' E' ' 433' ' ' GLU . 31.4 p-80 173.25 35.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.747 1.619 . . . . 99.99 107.835 -171.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 5.8 m -62.52 -25.1 67.85 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.192 0.997 . . . . 99.99 112.212 -171.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -76.11 -4.04 77.21 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-O 119.475 -0.625 . . . . 99.99 113.935 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 31.6 t 52.89 53.17 12.51 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.463 1.505 . . . . 99.99 112.274 174.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 75.69 -35.8 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.833 1.653 . . . . 99.99 113.131 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 5.5 mp 61.59 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.042 1.337 . . . . 99.99 111.232 -170.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 70.44 -55.93 0.61 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.115 1.766 . . . . 99.99 112.559 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.49 -29.8 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.294 0 C-N-CA 123.197 0.599 . . . . 99.99 109.678 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 77.22 -64.08 0.33 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.044 1.738 . . . . 99.99 111.731 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . 0.52 ' HA ' ' HB ' ' C' ' 92' ' ' THR . . . -155.84 130.19 8.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.851 0.461 . . . . 99.99 111.775 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . 0.434 ' H ' ' HB ' ' C' ' 92' ' ' THR . 97.2 m-85 -82.19 93.11 7.01 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 170.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -117.16 159.61 13.93 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.633 -0.537 . . . . 99.99 113.129 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.04 150.96 20.86 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.416 2.744 . . . . 99.99 112.631 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -89.52 -11.11 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.583 0.753 . . . . 99.99 110.97 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.17 30.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.566 0.746 . . . . 99.99 110.665 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -110.3 130.79 55.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.512 0.725 . . . . 99.99 110.339 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . 0.77 ' HB2' ' HB3' ' C' ' 139' ' ' ASN . 7.1 t30 -82.93 135.8 34.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.764 -0.458 . . . . 99.99 109.764 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.475 HG12 HG12 ' E' ' 452' ' ' VAL . 55.4 t -98.99 -74.3 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.534 0.734 . . . . 99.99 109.029 173.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.535 HG21 ' SG ' ' A' ' 97' ' ' CYS . 14.8 p -156.45 146.2 11.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 123.452 0.701 . . . . 99.99 109.13 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.562 ' HA3' ' SD ' ' A' ' 138' ' ' MET . . . -161.06 131.0 2.48 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.065 -1.214 . . . . 99.99 110.065 176.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 101' ' ' TYR . 38.1 tp -163.6 138.34 6.13 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 117.284 0.542 . . . . 99.99 110.961 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 69.3 m -148.92 138.48 21.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.273 1.429 . . . . 99.99 108.249 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -142.82 132.23 23.54 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.34 -0.615 . . . . 99.99 109.34 171.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -148.0 8.11 0.84 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.713 1.205 . . . . 99.99 109.008 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 7.8 m -131.23 23.71 4.85 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.682 0.793 . . . . 99.99 110.205 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 70.84 -71.08 0.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 125.728 1.611 . . . . 99.99 111.603 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' E' ' 462' ' ' TYR . 34.5 tp -154.25 109.59 3.15 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.298 -0.63 . . . . 99.99 109.298 172.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -91.34 6.74 44.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.225 1.01 . . . . 99.99 110.901 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.555 ' HB2' HD11 ' E' ' 460' ' ' LEU . 2.7 m-30 -87.55 90.2 8.28 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 109.495 -0.558 . . . . 99.99 109.495 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 24.3 m -128.14 111.63 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.486 -0.931 . . . . 99.99 108.486 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -89.2 -172.4 3.63 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.391 0.676 . . . . 99.99 110.206 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . 0.445 ' H ' HG21 ' E' ' 137' ' ' THR . 82.9 tttt -80.97 -179.89 7.55 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.792 0.837 . . . . 99.99 109.317 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . 0.412 ' H ' ' HG2' ' E' ' 465' ' ' LYS . . . -42.85 135.9 2.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.108 1.363 . . . . 99.99 113.115 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -68.57 172.94 5.53 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.996 0.918 . . . . 99.99 112.201 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 2.2 tt -73.26 91.08 1.66 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.769 -1.105 . . . . 99.99 109.35 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -93.18 114.01 4.59 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 110.847 -0.901 . . . . 99.99 110.847 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.487 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 75.5 mt -89.92 100.82 13.56 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.273 0.629 . . . . 99.99 109.495 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.166 0.986 . . . . 99.99 110.287 -177.243 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.884 -0.413 . . . . 99.99 109.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -64.38 -55.73 19.1 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.022 0.529 . . . . 99.99 110.635 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 54.5 -79.88 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.924 1.69 . . . . 99.99 112.615 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 44.4 tp60 81.28 -27.08 0.14 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.563 1.945 . . . . 99.99 112.2 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 62.86 -84.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.577 1.551 . . . . 99.99 112.132 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -104.31 -20.55 13.72 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.871 0.868 . . . . 99.99 110.351 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 95.0 m 73.71 -63.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.215 1.406 . . . . 99.99 111.201 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.52 129.59 40.35 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.705 -1.22 . . . . 99.99 107.705 171.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.8 ptp -130.13 135.0 47.72 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.203 0.601 . . . . 99.99 111.118 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 147.0 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.892 1.277 . . . . 99.99 110.262 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -111.42 124.74 52.87 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.36 1.064 . . . . 99.99 108.461 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -142.55 134.5 27.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.974 0.51 . . . . 99.99 110.47 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.99 123.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 N-CA-C 108.558 -0.904 . . . . 63.61 108.558 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.37 -37.48 11.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.891 0.477 . . . . 99.99 111.533 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -168.08 119.56 0.83 Allowed 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.589 -0.523 . . . . 87.02 109.589 -168.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -114.29 133.75 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 107.85 -1.167 . . . . 27.8 107.85 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -160.16 170.39 21.3 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.986 0.914 . . . . 37.37 110.453 -171.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.95 117.95 30.61 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.689 -0.856 . . . . 12.57 108.689 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -78.23 -26.33 47.28 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.761 0.424 . . . . 37.56 110.128 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -163.45 144.21 9.08 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 124.068 0.855 . . . . 38.09 109.38 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.4 mt -142.85 149.84 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.733 1.213 . . . . 5.43 108.301 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -155.12 148.01 24.53 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.123 0.487 . . . . 6.92 110.485 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 87.6 t80 -139.94 131.94 27.82 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.001 -1.481 . . . . 5.61 107.001 174.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 75' ' ' LEU . 43.8 mt-10 -130.56 115.87 17.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.813 0.445 . . . . 36.27 110.326 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.84 70.08 13.5 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.711 1.204 . . . . 12.68 107.929 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.16 -28.03 23.81 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.719 2.279 . . . . 32.78 111.065 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 71' ' ' GLU . 16.1 p-10 -105.76 29.23 6.79 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.83 -1.532 . . . . 80.05 110.224 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.36 -45.14 83.63 Favored Pre-proline 0 CA--C 1.574 1.871 0 N-CA-C 113.74 1.015 . . . . 31.49 113.74 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' HD2' ' A' ' 30' ' ' HIS . 61.7 Cg_endo -70.54 -24.35 26.2 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 122.28 1.987 . . . . 44.68 113.335 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' HD2' ' HG2' ' A' ' 29' ' ' PRO . 16.9 m-70 -74.38 -51.98 13.47 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.171 -0.677 . . . . 99.99 109.171 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.757 HG13 HD22 ' A' ' 68' ' ' LEU . 77.9 t -52.5 -35.14 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.883 1.273 . . . . 99.99 112.181 172.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.88 -38.88 83.46 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.494 0.717 . . . . 99.99 111.702 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -96.07 -22.9 17.05 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.093 0.557 . . . . 99.99 111.303 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -74.96 149.77 39.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.682 0.793 . . . . 99.99 110.629 -175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.58 115.81 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.862 1.265 . . . . 99.99 111.764 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.691 ' HA ' HD11 ' A' ' 68' ' ' LEU . 76.5 t-105 -82.39 93.18 7.15 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.433 0.693 . . . . 99.99 110.863 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.525 ' HG3' ' HA ' ' E' ' 471' ' ' LYS . 52.4 tt0 -149.49 82.52 6.8 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.4 -0.963 . . . . 99.99 108.4 164.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 67' ' ' SER . 84.5 Cg_endo -88.45 143.64 5.47 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.831 2.354 . . . . 57.34 113.209 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -96.08 99.06 10.84 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.086 -1.079 . . . . 99.99 108.086 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG11 ' HG ' ' E' ' 468' ' ' LEU . 43.1 t -77.45 100.87 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 121.451 0.644 . . . . 48.36 109.804 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.27 158.24 27.59 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 125.353 1.461 . . . . 99.99 111.582 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 108.26 6.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 113.751 -1.568 . . . . 97.85 108.619 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 5.2 m-20 -102.86 117.72 35.25 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.316 -0.994 . . . . 85.15 108.316 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 131' ' ' VAL . 19.0 mt -98.55 115.22 28.13 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.629 -1.169 . . . . 99.99 108.063 -171.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -152.47 153.44 33.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.437 -0.579 . . . . 78.84 109.437 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.488 HG21 ' HA2' ' A' ' 99' ' ' GLY . 92.8 m -138.15 158.94 43.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.032 0.933 . . . . 43.33 109.848 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -140.99 152.73 45.15 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.269 1.028 . . . . 41.53 109.508 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.6 m -128.64 153.36 47.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.941 0.896 . . . . 88.8 109.658 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.4 t -160.37 118.52 2.58 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.05 -0.722 . . . . 73.87 109.05 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -86.16 109.18 18.71 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.005 -1.109 . . . . 99.99 108.005 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 69.5 mt -78.05 -30.73 49.98 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.22 0.608 . . . . 99.99 111.354 -173.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.1 5.66 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.314 0.646 . . . . 99.99 110.707 -176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.84 126.57 29.84 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 166.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.3 11.35 5.84 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.564 1.146 . . . . 99.99 111.681 176.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 t -133.75 118.46 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.221 1.009 . . . . 99.99 109.331 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -123.37 142.71 50.69 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.023 0.44 . . . . 99.99 110.236 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 28.8 tt0 -103.42 145.01 30.63 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.978 1.311 . . . . 57.04 109.39 169.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.767 HG11 ' HD3' ' A' ' 103' ' ' PRO . 25.5 t -124.07 131.19 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.569 -0.9 . . . . 54.22 108.569 166.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 43.9 t -104.33 145.0 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.435 0.694 . . . . 29.36 109.178 173.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.09 117.79 30.59 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 106.739 -1.578 . . . . 19.86 106.739 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -105.22 100.46 10.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 108.443 -0.947 . . . . 99.99 108.443 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 t -96.17 132.83 39.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 108.204 -1.036 . . . . 13.6 108.204 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 14.1 m -123.23 109.1 13.56 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.55 -0.537 . . . . 17.22 109.55 173.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 114' ' ' ILE . 92.2 t -103.96 108.11 23.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 108.473 -0.936 . . . . 14.92 108.473 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.2 m -112.06 132.28 54.92 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.553 -0.536 . . . . 21.43 109.553 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.2 25.07 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.579 -0.897 . . . . 23.61 108.579 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 35.6 m -106.76 127.54 53.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.339 -0.986 . . . . 57.75 108.339 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 31' ' ' VAL . 13.5 tp -89.89 64.13 6.26 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 -177.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -97.4 1.17 Allowed Glycine 0 C--N 1.346 1.106 0 CA-C-N 114.877 -1.056 . . . . 93.1 111.493 -172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.4 -30.71 16.36 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.208 1.003 . . . . 99.99 111.703 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 42.6 tt0 -121.85 133.03 54.88 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 99.99 109.49 -173.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 32.3 m -57.4 126.36 26.93 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.926 0.89 . . . . 30.12 112.474 -175.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 68' ' ' LEU . . . -69.04 -56.07 8.86 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.502 0.668 . . . . 22.88 110.074 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' HE1' HD22 ' A' ' 126' ' ' LEU . 43.9 p90 -166.23 164.02 17.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.093 -1.412 . . . . 30.01 109.618 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 35.3 tp -134.69 136.31 42.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.773 0.829 . . . . 14.44 109.21 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 60.6 m -137.52 106.28 5.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.158 0.983 . . . . 14.43 109.182 175.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -124.99 124.63 42.42 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.654 -0.869 . . . . 35.14 108.654 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -134.66 131.19 53.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.299 0.64 . . . . 9.47 109.801 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -97.56 96.48 8.34 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.695 0.798 . . . . 43.33 109.507 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.66 102.34 14.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.157 -0.928 . . . . 15.31 109.04 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -106.27 150.79 16.93 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 112.344 -0.303 . . . . 20.02 112.344 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.96 127.26 3.35 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.46 -0.656 . . . . 41.88 111.46 -175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.86 133.51 29.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.129 0.972 . . . . 66.87 109.07 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -133.01 123.39 25.74 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.548 0.739 . . . . 77.52 109.764 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.3 m -82.06 116.31 21.59 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.825 -0.806 . . . . 99.99 108.825 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 HG22 ' E' ' 452' ' ' VAL . 9.4 tp -106.58 164.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.97 0.908 . . . . 99.99 108.749 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.76 140.96 22.21 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.716 -0.476 . . . . 99.99 109.716 173.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.9 -34.06 4.22 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 123.749 0.655 . . . . 99.99 114.655 169.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 HG21 ' E' ' 452' ' ' VAL . 4.0 mp -124.9 139.74 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.652 0.781 . . . . 99.99 109.354 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.45 ' HG2' ' H ' ' A' ' 91' ' ' GLY . 27.1 tt0 -147.41 174.8 11.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.777 0.831 . . . . 99.99 109.606 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' H ' ' HG2' ' A' ' 90' ' ' GLU . . . 73.62 -148.74 40.71 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 123.79 0.71 . . . . 99.99 114.606 169.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 t -60.32 -27.65 67.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.161 0.985 . . . . 99.99 111.953 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -66.82 -41.24 87.81 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.975 0.91 . . . . 99.99 110.54 179.183 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 34.3 tpp -83.7 -23.94 31.47 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.687 0.795 . . . . 99.99 111.119 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.45 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 114.129 1.159 . . . . 99.99 114.129 -170.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 137' ' ' PHE . 44.3 p-80 -62.38 -31.21 71.85 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 117.672 0.215 . . . . 99.99 110.571 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 13.9 t -67.68 -42.52 81.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.725 0.81 . . . . 99.99 111.175 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' HG22 ' A' ' 58' ' ' VAL . 8.2 mp -68.41 -12.85 61.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.886 -1.052 . . . . 99.99 111.169 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' HA2' HG21 ' A' ' 46' ' ' THR . . . -118.18 3.95 16.12 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.368 -1.24 . . . . 99.99 114.293 172.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.87 -69.17 0.2 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 119.644 1.722 . . . . 95.56 115.539 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' E' ' 454' ' ' LEU . 92.3 t80 -60.13 -59.29 5.65 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.932 0.716 . . . . 94.48 112.932 -169.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 97.9 m -61.41 -40.25 70.01 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-O 117.755 -1.117 . . . . 73.2 112.979 -176.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.767 ' HD3' HG11 ' A' ' 58' ' ' VAL . 50.8 Cg_exo -49.89 -42.11 45.52 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 122.766 2.31 . . . . 48.9 113.505 168.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.78 -47.18 86.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.166 0.587 . . . . 94.19 110.806 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.4 mm -75.44 -21.92 16.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 115.683 -0.69 . . . . 55.88 110.682 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.07 -20.54 52.11 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.738 0.815 . . . . 21.71 111.151 174.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.596 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 42.8 t80 -66.06 -41.35 43.98 Favored Pre-proline 0 CA--C 1.558 1.277 0 N-CA-C 113.985 1.106 . . . . 15.39 113.985 -172.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.67 -37.19 74.67 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.154 1.903 . . . . 9.95 113.429 170.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -82.44 -29.88 30.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.164 0.586 . . . . 20.66 111.077 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.38 84.41 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.922 -0.77 . . . . 7.34 108.922 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.32 -34.32 77.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.435 -1.257 . . . . 15.45 110.606 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.517 ' HG2' HH22 ' B' ' 120' ' ' ARG . 24.9 tt0 -53.14 -41.3 64.95 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.839 0.856 . . . . 46.26 110.236 174.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 117' ' ' MET . 37.8 t -76.78 -54.33 6.76 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.286 -0.87 . . . . 4.41 110.544 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 HG21 ' A' ' 64' ' ' VAL . 83.1 mt -56.1 -48.07 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 C-N-CA 124.868 1.267 . . . . 7.34 112.263 -173.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.7 m -61.42 -37.54 83.87 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.661 -0.7 . . . . 7.28 110.869 178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -67.83 -33.91 75.69 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.475 -0.784 . . . . 4.96 110.343 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 69.8 mmm -63.28 -44.42 95.12 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.325 0.65 . . . . 48.88 111.194 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.0 m -73.08 -35.41 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 115.672 -0.695 . . . . 26.6 111.062 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 p -72.64 -30.18 64.08 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.703 0.401 . . . . 17.97 110.968 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -72.36 -30.63 64.89 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.472 0.709 . . . . 8.38 109.873 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.51 -0.85 89.74 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 115.735 -0.666 . . . . 6.18 113.372 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.2 m 63.87 22.58 13.07 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 122.879 1.323 . . . . 20.1 110.886 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.45 152.28 54.67 Favored Pre-proline 0 C--O 1.242 0.698 0 CA-C-N 114.85 -1.068 . . . . 13.71 109.036 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.458 ' HG3' ' HB1' ' E' ' 130' ' ' ALA . 84.3 Cg_exo -50.07 131.73 31.26 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.815 2.344 . . . . 20.05 111.925 170.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.24 134.92 44.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.101 0.96 . . . . 39.31 112.178 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.523 HD22 ' HE1' ' A' ' 74' ' ' PHE . 18.3 tp -118.47 103.45 9.77 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.227 -0.296 . . . . 56.76 110.335 -173.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -99.88 100.28 11.18 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.475 -0.935 . . . . 38.41 108.475 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.8 OUTLIER -66.58 139.1 57.88 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.856 -0.794 . . . . 62.97 108.856 -178.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' E' ' 135' ' ' VAL . . . -49.72 140.01 15.4 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.611 1.164 . . . . 56.46 112.34 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.43 106.65 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.209 1.939 . . . . 77.42 111.2 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 44' ' ' LEU . 42.1 t -98.27 109.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 107.389 -1.337 . . . . 99.99 107.389 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.476 HD21 HG21 ' E' ' 458' ' ' THR . 6.0 t30 -91.65 92.08 8.29 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.386 -1.279 . . . . 99.99 108.714 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' E' ' 461' ' ' PHE . 93.1 m-85 -68.78 -9.44 50.92 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 117.799 -1.096 . . . . 99.99 113.952 -173.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' E' ' 456' ' ' ASP . 74.6 m-20 -48.93 -38.35 22.58 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.557 0.743 . . . . 99.99 112.297 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.51 -18.59 62.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.748 0.819 . . . . 99.99 113.164 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.517 HD12 HD22 ' A' ' 139' ' ' ASN . 12.8 tp -64.38 -20.04 65.88 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.635 0.774 . . . . 99.99 110.536 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 4.3 p90 -51.29 -41.78 60.69 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.645 0.979 . . . . 99.99 113.645 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.8 mmt -69.92 -49.27 53.6 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.407 0.622 . . . . 99.99 110.024 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.517 HD22 HD12 ' A' ' 136' ' ' LEU . 38.3 t30 -65.37 -24.72 67.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 113.633 -1.621 . . . . 99.99 111.707 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -85.75 -43.12 13.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.723 1.209 . . . . 99.99 109.609 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.07 -46.52 88.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.092 0.957 . . . . 99.99 111.045 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 143' ' ' GLN . 1.0 OUTLIER -169.73 -16.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.983 0.513 . . . . 99.99 112.032 178.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 59.69 97.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.557 1.143 . . . . 99.99 109.631 -169.344 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -146.2 105.53 3.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -166.82 141.24 4.01 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.958 0.903 . . . . 99.99 109.003 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.08 116.81 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 149' ' ' THR . 44.7 mt-10 67.97 139.67 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.085 1.354 . . . . 99.99 112.165 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -91.67 49.75 2.87 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.038 -0.528 . . . . 99.99 111.797 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 147' ' ' GLU . 9.8 t -149.54 154.02 38.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.051 0.94 . . . . 99.99 109.967 -176.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.68 136.97 45.57 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.864 0.866 . . . . 99.99 108.989 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 73.68 -35.65 0.32 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.442 1.497 . . . . 99.99 114.012 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.5 t60 63.88 -77.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.228 1.411 . . . . 99.99 109.529 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -176.48 129.38 0.2 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.668 1.187 . . . . 99.99 109.407 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.33 67.46 9.94 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.776 -0.824 . . . . 99.99 108.776 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.715 -1.129 . . . . 99.99 108.406 -177.151 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.227 -0.656 . . . . 99.99 109.227 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p 69.66 -55.44 0.58 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.006 2.122 . . . . 99.99 112.388 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 66.75 35.13 5.24 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.134 1.374 . . . . 99.99 111.358 175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.25 154.6 41.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.341 -0.845 . . . . 99.99 108.888 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.652 ' HA ' HG21 ' E' ' 39' ' ' THR . 0.8 OUTLIER 63.14 53.43 2.28 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 122.018 0.914 . . . . 99.99 109.384 -169.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -91.97 -90.47 0.17 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.186 -1.37 . . . . 99.99 109.585 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -171.75 -59.18 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.063 0.945 . . . . 99.99 109.375 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 178.92 75.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.542 -1.281 . . . . 99.99 107.542 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.6 ' HG2' ' H ' ' B' ' 10' ' ' THR . 9.6 ttt 65.0 172.02 0.2 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.279 1.432 . . . . 99.99 110.674 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.6 ' H ' ' HG2' ' B' ' 9' ' ' MET . 89.6 m -129.87 120.09 24.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.172 -1.418 . . . . 99.99 107.172 168.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -126.92 126.98 44.16 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.322 -1.362 . . . . 93.55 107.322 172.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -162.26 141.64 9.5 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 123.554 0.534 . . . . 99.99 109.872 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.1 mm -81.66 113.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.542 -1.651 . . . . 40.88 106.542 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -90.39 -44.38 9.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.826 0.45 . . . . 85.25 110.323 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -160.8 138.66 9.56 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.067 0.547 . . . . 95.33 109.776 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.5 mt -115.03 138.51 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 107.994 -1.114 . . . . 13.6 107.994 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -169.74 163.65 9.91 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.908 0.707 . . . . 23.1 112.908 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 56.0 m -89.27 131.43 35.37 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.605 1.162 . . . . 6.51 109.189 170.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -98.43 -44.39 6.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.181 0.593 . . . . 19.94 110.973 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -150.66 141.54 22.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 110.235 -0.283 . . . . 37.8 110.235 -166.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 78' ' ' VAL . 43.5 mm -138.83 146.31 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.79 1.236 . . . . 5.14 109.205 -177.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -143.51 136.24 27.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.15 0.98 . . . . 19.25 108.631 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.5 t80 -141.84 123.19 14.85 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.956 -1.127 . . . . 9.84 107.956 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -130.9 112.69 13.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.634 0.774 . . . . 50.65 109.433 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.581 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -109.01 87.82 5.01 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 106.857 -1.534 . . . . 18.09 106.857 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -63.76 -30.31 68.96 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.025 2.483 . . . . 31.77 112.568 -170.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.38 28.03 6.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.964 1.306 . . . . 49.39 110.459 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -40.17 -49.82 6.29 Favored Pre-proline 0 CA--C 1.575 1.913 0 N-CA-C 115.119 1.526 . . . . 51.5 115.119 -176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.51 -40.43 13.94 Favored 'Trans proline' 0 C--N 1.397 3.088 0 C-N-CA 122.279 1.986 . . . . 70.98 113.417 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -71.46 -31.14 66.83 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.251 0.62 . . . . 99.99 111.997 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' B' ' 123' ' ' PHE . 3.9 t -44.85 -29.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 125.206 1.402 . . . . 99.99 114.05 172.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.7 -17.87 26.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.154 0.982 . . . . 99.99 112.777 -174.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.578 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 24.1 pt20 -71.47 -24.66 62.04 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.94 0.896 . . . . 99.99 112.415 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 91.6 mttt -108.1 108.74 19.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.052 0.941 . . . . 98.87 110.556 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.98 79.66 2.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 99.99 110.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -158.96 163.23 36.67 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.228 0.611 . . . . 99.99 110.019 165.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' B' ' 126' ' ' LEU . 22.5 tm0? -68.6 121.95 82.86 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.02 146.0 75.71 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.756 2.304 . . . . 63.52 112.803 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HG3' HE22 ' E' ' 3' ' ' GLN . 36.8 tt0 -66.6 116.83 7.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.413 -0.588 . . . . 99.99 109.413 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' B' ' 126' ' ' LEU . 49.0 t -103.38 138.93 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.599 0.76 . . . . 72.1 110.893 -174.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 34.0 tttp -115.54 143.52 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.944 1.697 . . . . 99.99 109.343 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.446 HD11 ' H ' ' E' ' 7' ' ' ALA . 24.1 mt -100.9 160.2 14.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.267 1.027 . . . . 96.73 109.562 172.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 4.5 t70 -164.54 113.02 1.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 107.888 -1.153 . . . . 92.63 107.888 169.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.07 133.06 43.04 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 109.267 -0.642 . . . . 67.27 109.267 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.9 t70 -123.61 145.69 48.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.698 1.199 . . . . 58.71 108.7 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.7 p -109.08 122.58 47.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.354 0.661 . . . . 66.97 109.5 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.47 119.87 20.13 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.904 -1.147 . . . . 35.64 107.904 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.6 p -144.94 161.06 40.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 117.96 0.345 . . . . 74.75 111.302 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 83.4 p -155.71 158.86 38.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.598 0.759 . . . . 43.74 110.129 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -94.1 123.43 37.47 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.831 -0.803 . . . . 89.61 108.831 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 57' ' ' GLU . 28.4 mt -93.96 -45.56 7.55 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.39 0.676 . . . . 71.01 109.406 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.63 -169.6 3.26 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.638 -1.164 . . . . 85.91 110.126 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.27 113.77 4.84 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.511 -1.222 . . . . 99.99 108.957 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.4 1.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.164 1.386 . . . . 99.99 113.238 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.25 108.68 25.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 106.982 -1.488 . . . . 76.71 106.982 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.547 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 38.9 m-85 -123.72 145.47 48.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 98.07 108.891 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.54 ' HB2' HD11 ' B' ' 51' ' ' LEU . 23.1 tt0 -99.51 115.43 29.31 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.331 -0.988 . . . . 46.84 108.331 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.9 115.27 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 N-CA-C 107.36 -1.348 . . . . 57.34 107.36 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.5 142.19 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.173 0.989 . . . . 21.57 109.427 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -122.14 115.49 22.53 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 109.001 -0.74 . . . . 62.33 109.001 175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.685 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 16.0 ttt180 -90.53 120.92 32.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.221 1.008 . . . . 95.32 109.429 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.14 105.64 18.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 108.35 -0.981 . . . . 14.84 108.35 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 86.7 m -97.81 125.05 42.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.162 -0.926 . . . . 28.15 109.036 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.567 HG21 HG21 ' B' ' 114' ' ' ILE . 70.6 t -119.9 132.82 68.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 124.729 1.211 . . . . 18.14 109.516 -175.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 86.3 m -119.62 149.53 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.959 -1.126 . . . . 24.35 107.959 172.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.89 139.66 26.44 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.214 -0.661 . . . . 26.44 109.214 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -153.02 135.72 15.29 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.617 0.573 . . . . 56.64 112.061 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.588 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 25.0 mt -103.79 103.08 12.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.087 1.355 . . . . 62.67 108.701 175.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.32 -131.45 11.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.546 -0.622 . . . . 81.37 111.546 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.47 15.39 19.78 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.373 0.669 . . . . 99.99 110.324 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -115.17 139.23 50.1 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.999 0.919 . . . . 99.99 109.159 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -67.71 138.21 56.09 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.234 -0.654 . . . . 33.32 109.234 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -94.7 -60.92 1.6 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.724 -1.213 . . . . 25.99 107.724 174.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -156.45 169.32 24.89 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.472 -1.24 . . . . 18.76 109.895 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -133.37 131.98 40.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.39 -1.708 . . . . 16.93 106.39 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 48.0 t -136.76 150.89 48.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.861 -0.792 . . . . 12.76 108.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -164.51 134.09 3.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 117.758 0.254 . . . . 30.38 110.648 -173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' B' ' 21' ' ' ILE . 65.6 t -132.78 150.41 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.912 0.885 . . . . 8.91 110.419 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -116.85 107.32 14.47 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.723 -1.214 . . . . 33.15 107.723 163.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -94.42 100.85 12.79 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.728 -1.212 . . . . 11.26 107.728 173.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.87 143.16 17.41 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.042 -0.981 . . . . 11.78 112.009 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.25 124.19 3.29 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.141 -1.184 . . . . 23.01 110.141 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.91 129.62 37.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 107.215 -1.402 . . . . 39.34 107.215 172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.75 134.83 37.54 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.426 -0.953 . . . . 63.88 108.426 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.6 p -88.89 89.85 8.16 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.309 -1.367 . . . . 82.93 107.309 169.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 pt -138.64 106.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.455 0.702 . . . . 98.2 112.421 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.547 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -156.99 164.82 37.59 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.311 0.645 . . . . 99.99 110.179 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.1 -51.83 0.68 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-O 119.186 -0.786 . . . . 99.99 113.911 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 30.2 pt -86.05 145.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-N 118.809 1.304 . . . . 99.99 110.588 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -152.22 -175.44 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.61 1.164 . . . . 99.99 110.182 -174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.613 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 78.31 -136.01 17.11 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.717 -0.674 . . . . 99.99 112.865 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.489 ' HB ' ' HE ' ' E' ' 314' ' ' ARG . 58.7 m -73.68 -34.68 65.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.011 0.924 . . . . 99.99 111.917 -172.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.79 -38.99 76.84 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.968 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' E' ' 21' ' ' ALA . 1.1 tmt? -65.21 -40.38 94.07 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.312 0.645 . . . . 99.99 110.597 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.69 77.56 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.982 0.802 . . . . 99.99 111.096 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.01 -41.39 70.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.796 -0.638 . . . . 99.99 111.153 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.42 -63.81 1.15 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 123.516 0.726 . . . . 99.99 111.641 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' E' ' 15' ' ' PHE . 6.3 mp -80.32 -21.8 42.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 122.153 -0.342 . . . . 71.23 111.732 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . 0.426 ' O ' HD21 ' E' ' 11' ' ' LEU . . . -87.84 -7.45 74.56 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-O 119.658 -0.523 . . . . 59.87 114.238 -174.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.75 -55.58 0.12 Allowed 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.809 0.805 . . . . 71.19 111.193 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.418 ' HE1' ' HA ' ' E' ' 67' ' ' ILE . 5.3 t80 -65.41 -38.12 88.99 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.512 1.125 . . . . 99.99 112.913 -172.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.403 ' O ' HG22 ' B' ' 105' ' ' ILE . 76.6 m -81.68 -44.06 1.09 Allowed Pre-proline 0 CA--C 1.564 1.488 0 CA-C-O 118.49 -0.767 . . . . 50.37 112.185 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.24 -36.36 36.97 Favored 'Trans proline' 0 C--N 1.397 3.117 0 C-N-CA 122.82 2.346 . . . . 36.29 114.24 171.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.29 -14.69 62.3 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.561 0.948 . . . . 87.59 113.561 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.403 HG22 ' O ' ' B' ' 102' ' ' CYS . 10.4 tt -91.28 -23.55 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 118.549 0.613 . . . . 37.19 110.403 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.62 -22.04 21.41 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.594 0.758 . . . . 13.07 110.858 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.52 -49.91 88.33 Favored Pre-proline 0 CA--C 1.562 1.432 0 C-N-CA 124.852 1.261 . . . . 99.99 113.752 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.39 -35.16 91.25 Favored 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.284 1.989 . . . . 10.37 113.978 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.98 -49.0 21.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.337 0.655 . . . . 12.29 111.06 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -57.2 -37.28 71.94 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.699 0.624 . . . . 8.75 110.076 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 ttp-105 -55.5 -58.83 6.15 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.833 1.333 . . . . 59.14 111.455 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 110.291 -0.263 . . . . 51.9 110.291 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.44 -29.48 68.96 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.716 0.406 . . . . 13.3 110.727 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.567 HG21 HG21 ' B' ' 64' ' ' VAL . 66.1 mt -82.98 -47.26 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.812 0.845 . . . . 9.86 110.342 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 11.0 m -63.05 -42.77 99.78 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.119 0.567 . . . . 13.13 111.692 -174.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 40.3 t -68.67 -29.34 67.78 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.525 0.73 . . . . 8.02 110.491 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.7 tpp -69.31 -35.32 75.86 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.475 0.71 . . . . 26.78 109.54 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 114' ' ' ILE . 92.6 t -65.94 -42.49 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.201 1.001 . . . . 13.3 109.758 172.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m -63.48 -33.99 76.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.374 1.07 . . . . 29.79 111.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.517 HH22 ' HG2' ' A' ' 112' ' ' GLU . 88.6 mtt-85 -72.66 -36.2 67.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.358 0.663 . . . . 11.55 110.911 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.58 -3.66 79.01 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.464 0.478 . . . . 16.97 112.61 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 43.8 p 61.89 48.77 5.1 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.175 1.79 . . . . 23.15 111.607 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HG11 ' B' ' 31' ' ' VAL . 58.9 m-85 -109.87 165.04 13.4 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 114.017 -1.447 . . . . 23.84 110.299 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.97 124.95 17.14 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.668 2.246 . . . . 29.89 111.537 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -56.36 148.07 19.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.139 0.976 . . . . 99.99 112.178 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' B' ' 40' ' ' VAL . 0.6 OUTLIER -141.15 90.03 2.28 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.149 -1.056 . . . . 72.13 108.149 176.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -95.47 120.68 36.15 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.345 -0.843 . . . . 73.04 109.196 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.41 135.68 47.35 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.918 0.887 . . . . 90.81 111.05 -173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.12 152.76 62.38 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.995 0.918 . . . . 43.15 110.903 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.4 120.14 5.17 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.637 2.224 . . . . 61.27 111.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' E' ' 8' ' ' LEU . 5.5 m -113.2 140.84 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.574 -0.528 . . . . 99.57 109.574 175.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 78.12 3.49 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.93 0.871 . . . . 99.99 108.756 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -73.02 -3.65 27.45 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.324 -1.307 . . . . 99.99 111.301 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.24 -35.48 12.06 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.32 1.448 . . . . 99.99 111.716 170.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.36 73.39 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.93 0.892 . . . . 99.99 111.608 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' B' ' 140' ' ' TYR . 1.0 OUTLIER -79.29 -38.29 35.71 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.181 -1.044 . . . . 99.99 108.181 174.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -76.73 -15.3 59.81 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.619 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -70.82 -12.66 61.68 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.774 0.321 . . . . 99.99 110.964 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . 0.48 HD22 ' N ' ' B' ' 139' ' ' ASN . 0.7 OUTLIER -77.79 -29.52 50.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.537 0.735 . . . . 99.99 109.779 172.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . 0.469 ' HE1' HD22 ' B' ' 136' ' ' LEU . 33.6 m-85 -76.17 -27.61 57.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.147 0.979 . . . . 99.99 112.213 -176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.482 ' HB2' HG23 ' B' ' 92' ' ' THR . 2.9 pp -97.04 13.16 29.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.858 0.463 . . . . 99.99 111.716 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.57 138.22 58.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.823 0.849 . . . . 99.99 108.726 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -70.59 92.53 0.85 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.161 0.985 . . . . 99.99 109.621 -176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.4 -35.11 79.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.398 0.679 . . . . 99.99 111.437 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -103.47 97.12 7.22 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.061 -0.718 . . . . 99.99 109.061 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -69.23 -31.71 71.96 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 115.589 -0.732 . . . . 99.99 112.582 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -123.31 -54.84 1.78 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 99.99 108.769 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 73.57 76.96 0.64 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.572 -0.74 . . . . 99.99 111.711 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 18.2 m 72.8 159.65 0.22 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.178 1.391 . . . . 99.99 111.051 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -58.01 91.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.361 1.064 . . . . 99.99 110.396 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.62 -48.01 8.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.004 0.921 . . . . 99.99 110.012 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -80.78 98.66 7.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.424 -1.262 . . . . 99.99 110.285 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 76.37 -46.53 0.53 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.364 1.866 . . . . 99.99 113.811 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 p30 51.38 -170.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.188 1.395 . . . . 99.99 113.408 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.838 -0.601 . . . . 99.99 109.68 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 119.751 -0.166 . . . . 99.99 111.377 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -74.08 80.79 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 108.224 -1.028 . . . . 99.99 108.224 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' C' ' 7' ' ' THR . 2.2 tm-20 68.74 -90.48 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.753 1.221 . . . . 99.99 108.149 -165.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 56.54 -73.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.416 1.486 . . . . 99.99 114.603 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -88.23 47.14 1.46 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.475 1.11 . . . . 99.99 112.82 -163.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.66 21.16 11.63 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 123.776 0.83 . . . . 99.99 110.934 172.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.615 HG23 ' HG2' ' C' ' 3' ' ' GLU . 40.3 p 45.34 -84.36 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 125.615 1.566 . . . . 99.99 111.785 -164.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 64.13 147.41 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.722 1.609 . . . . 99.99 111.902 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.656 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 4.1 mpp? 60.24 109.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.563 1.145 . . . . 99.99 111.555 -172.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.585 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 30.9 m -112.62 96.99 6.29 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.938 -1.504 . . . . 99.99 106.938 171.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' C' ' 85' ' ' SER . 27.2 t80 -120.03 138.58 53.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.333 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -155.04 128.21 8.29 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 123.489 0.716 . . . . 99.99 109.223 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.47 HD12 ' H ' ' C' ' 13' ' ' ILE . 3.8 mp -78.55 104.18 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 106.934 -1.506 . . . . 56.3 106.934 173.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 80.5 mm-40 -74.74 -50.79 16.14 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.221 0.325 . . . . 93.16 110.673 -176.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -179.07 164.87 1.47 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.122 0.969 . . . . 99.99 110.732 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -129.49 145.43 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.118 1.367 . . . . 11.74 107.735 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' C' ' 19' ' ' LYS . 17.0 p90 -178.0 167.07 2.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 119.404 1.002 . . . . 19.28 111.953 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -84.44 113.36 21.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.175 -0.921 . . . . 6.91 109.838 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 14.0 mmmm -71.05 -48.69 51.37 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.515 -0.921 . . . . 21.95 108.515 170.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 32.3 t70 -135.26 141.19 45.69 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 113.964 -1.471 . . . . 50.62 110.342 -175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 85.2 mt -133.72 143.02 39.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 107.076 -1.453 . . . . 5.12 107.076 174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -153.2 148.84 27.35 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.244 0.545 . . . . 9.28 109.889 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -155.12 119.51 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.717 -1.586 . . . . 8.82 106.717 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.39 129.65 56.35 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.585 -0.524 . . . . 30.58 109.585 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' C' ' 28' ' ' ALA . . . -146.24 67.97 12.19 Favored Pre-proline 0 CA--C 1.556 1.193 0 C-N-CA 124.266 1.026 . . . . 12.04 108.647 170.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -71.33 -25.89 21.28 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 122.09 1.86 . . . . 30.41 109.971 166.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.14 13.82 12.27 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 113.481 -1.69 . . . . 61.38 109.564 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.561 ' HB2' ' HB1' ' C' ' 25' ' ' ALA . . . -57.5 -47.91 98.17 Favored Pre-proline 0 CA--C 1.569 1.691 0 N-CA-C 113.706 1.002 . . . . 26.66 113.706 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HZ1' ' D' ' 19' ' ' LYS . 2.7 Cg_exo -78.9 -29.34 3.43 Favored 'Trans proline' 0 C--N 1.394 2.951 0 C-N-CA 121.852 1.701 . . . . 35.22 112.063 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.76 -33.22 72.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.869 0.868 . . . . 48.75 111.152 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.7 -9.65 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.572 0.749 . . . . 55.24 111.176 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.39 -39.75 81.59 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.777 -0.577 . . . . 99.99 109.636 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -92.5 50.52 1.62 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.724 0.773 . . . . 97.11 110.362 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.03 143.3 50.51 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.684 0.793 . . . . 88.6 110.974 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.56 124.15 22.44 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.47 -1.307 . . . . 99.99 107.47 167.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' E' ' 297' ' ' TYR . 32.4 m95 -75.92 93.13 3.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 122.971 0.508 . . . . 99.99 111.124 -171.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' C' ' 38' ' ' PRO . 9.6 pt20 -152.27 50.13 0.61 Allowed Pre-proline 0 CA--C 1.569 1.679 0 C-N-CA 123.343 0.657 . . . . 99.99 112.085 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' C' ' 37' ' ' GLN . 2.7 Cg_exo -76.88 123.55 6.9 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.298 1.999 . . . . 68.93 111.542 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -84.32 108.96 17.46 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.424 -1.324 . . . . 99.99 107.424 173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.593 HG11 HD11 ' C' ' 126' ' ' LEU . 60.3 t -81.21 98.1 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 108.663 -0.866 . . . . 87.15 108.663 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 0.9 OUTLIER -100.62 113.77 26.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 176.452 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.06 151.53 23.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.007 -0.738 . . . . 94.05 109.007 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 9.7 m-20 -121.96 144.87 48.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 99.99 109.976 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -126.78 114.73 18.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 107.828 -1.175 . . . . 71.87 107.828 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.37 139.58 30.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.017 0.527 . . . . 92.17 109.881 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p -115.2 127.02 55.25 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.929 0.892 . . . . 62.96 110.05 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.5 157.76 40.28 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.733 0.813 . . . . 35.73 109.831 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' C' ' 57' ' ' GLU . 83.7 p -151.59 151.87 32.12 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.896 0.478 . . . . 56.22 110.669 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 72.5 p -152.68 136.02 15.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.125 0.57 . . . . 43.42 110.342 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.04 136.93 50.86 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.958 -0.386 . . . . 99.99 109.958 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' C' ' 57' ' ' GLU . 49.2 mt -113.16 -47.96 3.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.01 0.924 . . . . 61.44 109.338 178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.58 -168.27 3.0 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 114.55 -1.205 . . . . 94.06 110.348 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.06 105.86 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.867 1.267 . . . . 99.99 110.787 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 22.05 12.5 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.519 1.128 . . . . 99.99 111.871 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 62.6 t -110.89 116.07 51.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.415 -0.958 . . . . 81.86 108.415 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -123.73 126.7 46.98 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.533 -1.654 . . . . 99.99 106.533 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.717 ' HB2' HD11 ' C' ' 51' ' ' LEU . 32.8 tt0 -80.78 124.16 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.919 -1.037 . . . . 35.21 108.903 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -95.47 125.51 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.12 -1.437 . . . . 29.6 107.12 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.63 129.37 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 108.662 -0.866 . . . . 20.9 108.662 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.558 HD23 HD12 ' C' ' 106' ' ' LEU . 4.1 mm? -108.91 108.75 19.64 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.99 -1.115 . . . . 69.19 107.99 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -84.03 106.21 15.51 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.401 -0.963 . . . . 99.99 108.401 174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.82 104.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.699 -1.593 . . . . 14.53 106.699 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 14.2 m -106.66 125.51 51.1 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.568 -1.271 . . . . 20.42 107.568 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.472 HG21 HD21 ' C' ' 128' ' ' LEU . 86.2 t -115.76 110.1 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.536 -0.912 . . . . 17.7 108.536 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.407 HG23 HD23 ' C' ' 75' ' ' LEU . 3.9 m -104.46 113.44 27.0 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.76 -1.109 . . . . 29.53 109.683 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.38 99.42 10.35 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 106.791 -1.559 . . . . 32.22 106.791 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -135.78 138.43 42.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.374 -0.602 . . . . 59.66 109.374 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' C' ' 73' ' ' ALA . 2.2 mp -93.74 16.03 14.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.796 0.839 . . . . 97.29 110.491 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.4 -110.2 0.88 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 109.772 -1.331 . . . . 76.35 109.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.69 -30.99 18.71 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.648 -0.501 . . . . 99.99 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -82.94 105.59 14.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.584 -1.265 . . . . 77.02 107.584 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 83.6 m -85.2 139.85 31.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.508 0.723 . . . . 37.0 110.621 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.596 ' HB1' ' HE1' ' E' ' 297' ' ' TYR . . . -79.46 -65.92 0.94 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.248 0.619 . . . . 34.06 110.115 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -157.19 176.99 11.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.701 0.8 . . . . 39.96 109.735 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.441 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.6 tm? -137.42 147.87 45.73 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 107.843 -1.169 . . . . 16.54 107.843 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 42.4 t -150.97 112.43 4.41 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.268 -0.642 . . . . 10.97 109.268 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -124.43 121.15 34.1 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.983 0.913 . . . . 36.61 109.653 -173.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 69.3 t -125.04 116.81 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.69 -0.485 . . . . 9.25 109.69 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -90.52 97.14 11.01 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.436 -0.95 . . . . 25.23 108.436 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.536 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.2 tp-100 -83.59 114.71 21.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.304 -0.862 . . . . 10.64 110.454 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.31 150.58 22.06 Favored Glycine 0 C--N 1.341 0.815 0 O-C-N 123.563 0.539 . . . . 10.6 111.923 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -148.28 117.84 0.93 Allowed Glycine 0 CA--C 1.503 -0.672 0 N-CA-C 110.637 -0.985 . . . . 19.17 110.637 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.435 HD12 HD11 ' C' ' 51' ' ' LEU . 8.8 mm -90.84 116.87 32.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.895 -0.78 . . . . 30.38 108.895 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -136.93 134.07 36.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.943 -1.132 . . . . 49.62 107.943 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' C' ' 11' ' ' PHE . 29.1 m -91.75 121.54 33.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.126 -1.065 . . . . 92.15 108.126 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.48 HG21 ' SG ' ' C' ' 97' ' ' CYS . 4.1 mp -124.96 117.63 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.144 -1.058 . . . . 99.99 108.144 172.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.732 ' HB1' ' HD2' ' E' ' 276' ' ' PRO . . . -135.86 66.62 1.5 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.598 -0.89 . . . . 99.99 108.598 172.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.656 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -78.55 -103.32 0.21 Allowed Glycine 0 C--N 1.336 0.578 0 CA-C-N 114.114 -1.403 . . . . 99.99 111.654 176.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tp -172.81 57.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-O 122.263 1.03 . . . . 99.99 109.587 -174.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 51.21 -167.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 126.094 1.758 . . . . 99.99 113.699 169.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.02 -134.73 52.36 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 124.005 0.812 . . . . 99.99 114.234 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.684 HG21 ' HA ' ' E' ' 147' ' ' HIS . 73.0 p -81.92 -16.7 49.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.862 1.265 . . . . 99.99 111.899 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.5 HE21 ' HA3' ' C' ' 88' ' ' GLY . 0.2 OUTLIER -63.28 -50.74 68.94 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.899 0.88 . . . . 99.99 109.236 178.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 17.2 mmt -60.88 -25.49 66.73 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 112.405 0.52 . . . . 99.99 112.405 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.73 67.91 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.59 0.756 . . . . 99.99 112.829 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' E' ' 145' ' ' ASP . 75.2 m-70 -68.61 -51.53 41.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.835 0.454 . . . . 99.99 110.81 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.48 ' SG ' HG21 ' C' ' 86' ' ' ILE . 1.4 p -76.09 -49.87 16.25 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.463 -0.789 . . . . 99.99 111.224 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.01 -40.4 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.198 0.599 . . . . 99.99 111.986 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.98 -29.7 11.27 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.46 0.544 . . . . 68.51 114.46 -169.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -116.47 -55.9 2.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 117.411 0.606 . . . . 56.52 111.432 -172.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 90.7 t80 -63.88 -57.82 8.66 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.921 0.763 . . . . 99.99 111.572 -173.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 73.5 m -59.0 -48.26 97.09 Favored Pre-proline 0 CA--C 1.564 1.512 0 CA-C-O 118.043 -0.98 . . . . 56.59 112.632 -174.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 51.9 Cg_exo -57.83 -38.11 93.88 Favored 'Trans proline' 0 C--N 1.395 2.982 0 C-N-CA 122.089 1.859 . . . . 39.21 113.893 171.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.83 -35.68 81.89 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.926 0.891 . . . . 71.72 110.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.21 -43.31 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.75 0.82 . . . . 8.71 111.228 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.558 HD12 HD23 ' C' ' 60' ' ' LEU . 86.8 mt -82.35 -20.22 37.71 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.351 -0.386 . . . . 37.06 111.96 -171.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.18 -55.49 44.87 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-O 117.994 -1.003 . . . . 16.74 112.866 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 112' ' ' GLU . 19.6 Cg_endo -58.72 -37.53 93.6 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.343 2.029 . . . . 9.85 113.395 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -66.93 -45.35 78.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.822 0.449 . . . . 5.88 111.682 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -63.71 -42.04 98.0 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.008 -0.542 . . . . 7.64 110.164 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.611 ' HG3' ' HB2' ' C' ' 128' ' ' LEU . 24.4 ttt180 -55.83 -52.29 64.54 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.921 1.688 . . . . 20.64 111.523 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.78 84.27 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.683 0.614 . . . . 38.86 110.741 -176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.96 -35.54 74.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.884 0.474 . . . . 13.9 111.271 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.566 ' HA ' ' SG ' ' C' ' 76' ' ' CYS . 83.2 mt -65.71 -49.22 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.886 0.874 . . . . 8.58 109.85 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 55.0 m -61.3 -38.2 85.95 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.421 1.088 . . . . 8.54 111.476 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t -70.2 -38.86 75.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.602 -0.726 . . . . 6.56 110.162 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.527 ' HG3' HD12 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -63.21 -33.27 75.12 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.797 0.839 . . . . 5.22 111.892 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' C' ' 126' ' ' LEU . 48.7 t -64.37 -41.79 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.668 -0.493 . . . . 28.53 109.668 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.9 t -71.34 -25.27 62.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.955 0.902 . . . . 17.6 111.932 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -76.76 -34.1 58.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.393 0.677 . . . . 7.72 110.204 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.63 0.98 68.53 Favored Glycine 0 C--N 1.356 1.658 0 CA-C-N 115.999 -0.546 . . . . 10.8 112.022 169.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 18.1 p 60.26 19.59 9.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.17 2.188 . . . . 15.17 112.29 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -86.79 146.9 42.12 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 115.254 -0.885 . . . . 24.81 109.01 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.633 ' HG2' ' H ' ' E' ' 297' ' ' TYR . 6.3 Cg_endo -48.85 135.01 28.79 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 123.424 2.749 . . . . 29.42 112.518 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.504 ' O ' ' HB1' ' E' ' 295' ' ' ALA . 19.4 mm-40 -46.69 157.05 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.306 1.843 . . . . 72.03 115.656 -170.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.593 HD11 HG11 ' C' ' 40' ' ' VAL . 13.6 tp -148.98 87.11 1.53 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 113.983 -1.462 . . . . 59.85 108.546 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -91.92 117.63 29.98 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.041 -0.982 . . . . 41.85 108.71 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.611 ' HB2' ' HG3' ' C' ' 111' ' ' ARG . 4.4 mm? -67.43 146.83 53.62 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.054 0.542 . . . . 38.57 110.701 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.5 157.36 58.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 115.097 -0.956 . . . . 24.62 111.666 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.23 114.07 1.81 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.29 2.66 . . . . 24.48 113.332 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.31 111.27 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.571 0.749 . . . . 68.05 109.255 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -87.22 103.41 15.41 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.651 0.78 . . . . 99.99 109.735 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -74.87 -33.55 62.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.632 0.773 . . . . 99.99 109.866 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -58.56 -28.38 65.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 113.752 -1.567 . . . . 99.99 112.199 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.57 90.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.627 0.771 . . . . 99.99 111.937 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.404 HD22 ' HG3' ' E' ' 286' ' ' MET . 60.1 tp -54.71 -45.92 74.11 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 124.183 0.927 . . . . 99.99 110.907 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -69.69 -47.42 63.24 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.148 -0.933 . . . . 99.99 110.262 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 46.3 ttm -58.76 -27.97 65.47 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 99.99 112.335 -173.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -57.51 -37.41 72.96 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.57 0.748 . . . . 99.99 112.067 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . 0.633 ' HB3' HD12 ' E' ' 146' ' ' ILE . 16.0 t80 -72.32 -154.64 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 123.287 0.635 . . . . 99.99 110.282 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.05 173.6 15.81 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.944 -1.097 . . . . 99.99 110.966 -170.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' E' ' 145' ' ' ASP . 61.7 tp60 -157.0 -46.33 0.07 Allowed 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.837 0.711 . . . . 99.99 110.872 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 64.44 29.49 13.39 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.026 0.93 . . . . 99.99 110.222 -172.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 63.56 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.099 1.36 . . . . 99.99 111.62 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -170.08 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.906 1.282 . . . . 99.99 109.006 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.68 -102.06 2.77 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 111.329 -0.709 . . . . 99.99 111.329 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' C' ' 149' ' ' THR . 8.4 pt-20 -152.81 -36.97 0.11 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.645 0.778 . . . . 99.99 110.552 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 70.34 16.11 73.16 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-N 115.909 -0.587 . . . . 99.99 113.509 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . 0.447 ' H ' ' HG3' ' C' ' 147' ' ' GLU . 31.2 m 58.73 82.09 0.15 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 124.672 1.189 . . . . 99.99 110.992 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 60.27 98.01 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.345 1.058 . . . . 99.99 111.463 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 164.37 26.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.698 0.399 . . . . 99.99 110.308 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -59.03 -41.47 87.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.208 -0.905 . . . . 99.99 109.44 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.431 ' HG2' ' H ' ' C' ' 155' ' ' ALA . 57.6 tt0 76.28 -56.8 0.57 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.705 1.602 . . . . 99.99 112.008 174.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 73.76 1.36 3.91 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.674 1.19 . . . . 99.99 112.859 172.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' C' ' 153' ' ' GLN . . . . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.139 0.975 . . . . 99.99 108.496 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.605 -0.887 . . . . 99.99 108.605 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t 66.4 31.58 8.14 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.373 1.069 . . . . 99.99 110.683 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.663 ' HG2' ' H ' ' D' ' 4' ' ' GLN . 12.6 tt0 -128.46 -158.28 0.87 Allowed 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.767 1.227 . . . . 99.99 108.764 -173.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.663 ' H ' ' HG2' ' D' ' 3' ' ' GLU . 68.5 mm-40 73.49 -67.71 0.25 Allowed 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.777 2.031 . . . . 99.99 111.702 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.21 -34.03 68.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.331 1.052 . . . . 99.99 111.078 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 t30 76.84 -49.87 0.56 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.774 1.63 . . . . 99.99 112.79 172.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -51.37 -61.78 2.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.522 1.129 . . . . 99.99 111.943 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' E' ' 87' ' ' ALA . 13.2 tp10 175.17 141.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.856 1.262 . . . . 99.99 108.121 -177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.508 ' HG2' HG23 ' D' ' 89' ' ' ILE . 0.1 OUTLIER -35.42 124.56 0.64 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.915 0.886 . . . . 99.99 110.864 165.044 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' D' ' 87' ' ' ALA . 3.3 m -112.24 117.7 33.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.222 -0.659 . . . . 99.99 109.222 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.51 ' HD2' HG22 ' D' ' 86' ' ' ILE . 87.0 t80 -134.86 121.43 20.6 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.266 -1.012 . . . . 76.43 108.266 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' E' ' 305' ' ' ALA . 75.9 mt-30 -143.71 114.22 7.53 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.458 0.703 . . . . 99.99 110.12 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.535 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -80.65 107.5 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 41.34 108.268 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -74.54 -41.05 61.28 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.703 0.801 . . . . 79.46 111.984 -171.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -169.61 136.15 1.61 Allowed 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.574 0.546 . . . . 99.99 110.949 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.16 138.23 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 108.007 -1.108 . . . . 53.22 108.007 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.708 0.803 . . . . 19.87 111.625 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 72.9 p -77.86 121.02 23.56 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.789 -0.641 . . . . 8.43 109.431 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 25.4 mtpp -92.88 -17.74 23.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.243 0.617 . . . . 36.9 110.843 175.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 19.4 t70 -164.06 144.17 8.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.499 0.72 . . . . 36.68 109.083 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.527 HD12 ' HG3' ' C' ' 117' ' ' MET . 63.6 mt -144.25 143.17 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 4.02 107.947 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -148.35 144.98 27.9 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.82 1.248 . . . . 7.64 107.987 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 90.7 t80 -150.84 111.74 4.3 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.421 -1.696 . . . . 5.08 106.421 173.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -119.15 113.84 21.54 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.56 -0.533 . . . . 28.73 109.56 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -114.07 83.78 8.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 123.499 0.719 . . . . 7.19 109.096 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.74 -46.98 0.69 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.486 2.124 . . . . 13.41 113.019 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -102.47 27.93 6.42 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.666 0.787 . . . . 11.97 109.178 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.694 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -50.3 -57.54 12.59 Favored Pre-proline 0 CA--C 1.557 1.215 0 N-CA-C 113.858 1.058 . . . . 12.01 113.858 -171.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 43.7 Cg_endo -78.21 -10.57 16.34 Favored 'Trans proline' 0 C--N 1.379 2.132 0 CA-C-N 120.837 1.335 . . . . 20.55 112.906 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.74 -41.77 17.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.654 1.582 . . . . 22.26 109.709 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' D' ' 73' ' ' ALA . 35.5 m -83.21 -9.16 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.562 -0.744 . . . . 34.6 111.968 -178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 18.4 m-30 -66.26 -19.65 65.88 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.171 0.588 . . . . 32.96 111.994 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.9 -29.17 70.37 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.172 0.989 . . . . 99.99 110.6 171.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.62 90.86 6.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.339 1.056 . . . . 31.63 109.739 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CZ3' ' E' ' 131' ' ' TRP . 11.7 t70 -82.92 92.69 7.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.919 -0.401 . . . . 99.99 109.919 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -168.4 175.92 6.1 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 124.668 1.187 . . . . 49.29 108.515 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.26 120.94 83.19 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.329 0.652 . . . . 99.99 109.911 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.5 ' HB2' ' HB1' ' D' ' 66' ' ' ALA . 37.6 Cg_exo -58.66 138.84 87.98 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.635 2.224 . . . . 31.29 111.841 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.79 120.14 7.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.342 1.026 . . . . 99.99 109.51 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m -95.27 106.03 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 122.654 1.216 . . . . 52.79 109.577 -173.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -118.81 108.3 14.67 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.33 149.2 29.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.798 0.439 . . . . 74.77 111.645 -169.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -128.11 113.07 15.28 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.454 -1.313 . . . . 99.99 107.454 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.21 130.07 50.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.18 -0.674 . . . . 66.01 109.18 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 24.4 t70 -133.2 147.04 52.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.25 1.02 . . . . 79.72 109.111 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -138.28 143.28 39.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.623 0.769 . . . . 77.52 110.202 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.63 165.98 34.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.835 -1.075 . . . . 38.8 108.838 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.485 ' H ' ' HA ' ' E' ' 106' ' ' TYR . 64.0 p -162.39 165.75 26.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.118 0.567 . . . . 48.36 109.789 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 57.3 p -152.71 140.23 19.72 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 123.222 0.609 . . . . 52.73 109.487 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -80.18 123.48 27.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-O 121.018 0.437 . . . . 99.71 110.229 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' D' ' 57' ' ' GLU . 1.5 pp -147.19 31.09 0.92 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.756 1.222 . . . . 82.32 108.076 177.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -173.11 143.62 1.15 Allowed 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.34 -1.3 . . . . 96.95 109.781 -169.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.36 126.9 32.16 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.501 -0.925 . . . . 99.99 108.501 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.41 11.68 8.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 124.422 1.076 . . . . 99.99 112.432 173.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 58.1 t -143.96 142.55 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 124.872 1.269 . . . . 82.8 108.345 -172.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.494 ' HB2' HD22 ' D' ' 98' ' ' LEU . 1.7 m-85 -128.95 151.95 49.11 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.5 0.667 . . . . 99.99 111.265 177.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' D' ' 51' ' ' LEU . 11.1 tp10 -91.2 109.0 20.25 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.928 -1.508 . . . . 55.89 106.928 166.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.6 118.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.02 -0.734 . . . . 44.56 109.02 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.46 119.31 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.626 1.17 . . . . 19.48 109.731 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' D' ' 62' ' ' VAL . 56.1 tp -106.84 104.81 14.58 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.017 0.927 . . . . 52.2 108.953 174.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 21.9 ttt85 -91.81 96.13 10.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.107 0.563 . . . . 99.99 109.659 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' D' ' 60' ' ' LEU . 70.3 t -92.78 122.27 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.321 -0.854 . . . . 9.25 109.3 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.515 HG23 ' HB2' ' D' ' 77' ' ' GLU . 21.3 m -124.0 138.24 54.49 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.068 0.547 . . . . 10.79 109.836 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.21 103.01 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.084 1.354 . . . . 9.72 108.261 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -99.77 102.31 13.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.877 -0.786 . . . . 19.36 108.877 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' D' ' 38' ' ' PRO . . . -103.3 147.67 26.79 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.058 -0.974 . . . . 11.33 110.653 -176.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 52.8 p -145.25 128.23 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.197 0.443 . . . . 29.87 112.197 -176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 34.6 mt -100.24 125.27 46.4 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 124.081 0.952 . . . . 24.97 109.069 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.57 -113.63 4.71 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 123.705 0.628 . . . . 27.84 112.847 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.33 4.53 11.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.938 0.895 . . . . 76.3 110.392 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.19 171.2 12.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.638 0.775 . . . . 81.89 109.967 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 24.6 m -71.93 129.1 37.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.664 0.603 . . . . 11.35 111.32 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -83.27 -66.86 0.84 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 107.688 -1.227 . . . . 10.67 107.688 171.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -153.65 161.46 42.14 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.695 -1.139 . . . . 7.73 110.505 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 29.5 mt -120.15 140.03 51.71 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.416 -2.068 . . . . 11.05 105.416 171.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.1 t -149.13 106.21 3.6 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.044 -0.724 . . . . 12.97 109.044 -173.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' D' ' 63' ' ' THR . 38.3 tt0 -137.46 123.7 20.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.732 0.813 . . . . 47.96 110.407 -166.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.1 124.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.788 0.835 . . . . 5.05 109.546 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 25.3 mt-30 -87.19 90.93 8.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.229 -1.026 . . . . 21.68 108.229 165.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -81.8 103.98 11.86 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.113 -1.069 . . . . 8.01 108.113 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.64 169.08 16.68 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.391 0.432 . . . . 11.29 112.221 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.71 146.88 11.79 Favored Glycine 0 C--N 1.336 0.529 0 N-CA-C 112.004 -0.439 . . . . 22.6 112.004 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -92.57 107.35 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 108.311 -0.996 . . . . 43.57 108.311 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -111.4 125.68 54.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.673 0.789 . . . . 45.01 110.404 -177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -104.15 127.41 51.75 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.223 1.009 . . . . 77.58 109.883 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.4 pt -135.6 143.2 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.843 0.457 . . . . 88.57 110.676 -177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' D' ' 10' ' ' THR . . . -162.66 167.6 22.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.076 0.95 . . . . 99.99 110.538 -177.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.72 77.26 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.873 -0.603 . . . . 99.99 113.298 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 86' ' ' ILE . 5.3 pt -139.26 138.51 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.411 1.084 . . . . 99.99 110.006 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.76 172.23 12.84 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.13 0.972 . . . . 99.99 108.406 174.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.41 -140.37 22.72 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.498 0.499 . . . . 99.99 113.543 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 25.2 m -88.44 -42.82 11.9 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.264 0.626 . . . . 99.99 111.595 -171.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 1.0 OUTLIER -61.89 -19.63 62.87 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.786 0.835 . . . . 99.99 111.822 177.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.582 ' HG2' HD11 ' E' ' 97' ' ' ILE . 1.5 tmt? -54.58 -63.44 1.15 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.056 1.342 . . . . 99.99 112.151 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.472 ' HB1' HD22 ' E' ' 102' ' ' LEU . . . -85.27 -14.49 46.48 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.162 0.43 . . . . 88.9 112.162 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . 0.416 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 29.9 t-80 -58.87 -31.39 68.52 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.291 0.637 . . . . 99.99 111.369 174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 85.9 m -54.46 -43.06 71.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.583 0.753 . . . . 95.17 111.677 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.721 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 4.1 pp -92.59 -27.62 17.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.333 0.395 . . . . 99.99 111.619 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.2 12.14 70.41 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 114.527 0.571 . . . . 66.02 114.527 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.66 -56.14 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.977 0.511 . . . . 54.11 110.792 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' D' ' 104' ' ' ASN . 81.2 t80 -71.99 -34.82 69.2 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.387 0.514 . . . . 40.76 112.387 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 88.8 m -68.31 -42.57 29.74 Favored Pre-proline 0 CA--C 1.562 1.425 0 N-CA-C 112.877 0.695 . . . . 34.31 112.877 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.14 -35.68 43.29 Favored 'Trans proline' 0 C--N 1.391 2.775 0 C-N-CA 122.462 2.108 . . . . 28.69 113.933 165.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' D' ' 101' ' ' TYR . 0.8 OUTLIER -60.81 -33.89 73.7 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 122.94 0.496 . . . . 61.29 111.003 177.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.535 HG21 HD13 ' D' ' 13' ' ' ILE . 41.6 mm -71.14 -40.34 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.768 0.827 . . . . 19.65 110.762 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.67 -26.67 57.86 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.218 -0.901 . . . . 13.09 112.042 -170.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.12 -40.82 57.0 Favored Pre-proline 0 CA--C 1.561 1.384 0 N-CA-C 114.44 1.274 . . . . 10.47 114.44 -171.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.14 -39.24 33.79 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 122.515 2.143 . . . . 6.22 114.479 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.38 -27.22 25.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.332 0.653 . . . . 10.48 111.644 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.65 67.45 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.371 -0.603 . . . . 4.16 109.371 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.532 HH12 ' HG3' ' D' ' 130' ' ' PRO . 28.5 ttp-105 -54.33 -48.66 71.13 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.426 -1.261 . . . . 10.22 111.294 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.52 -45.99 90.47 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 123.98 0.8 . . . . 32.24 111.204 -173.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 -44.56 93.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.539 0.524 . . . . 3.39 111.061 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.478 HG23 ' SG ' ' D' ' 76' ' ' CYS . 71.0 mt -56.79 -53.56 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.966 0.906 . . . . 5.37 110.892 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . 0.473 HG23 ' HG3' ' D' ' 125' ' ' GLN . 90.0 m -55.85 -46.44 78.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.125 0.97 . . . . 7.06 110.778 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -63.49 -42.71 98.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.532 -1.213 . . . . 6.71 110.516 -175.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.8 -35.45 74.86 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.994 0.518 . . . . 5.08 111.675 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 114' ' ' ILE . 79.7 t -60.2 -47.34 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.492 0.717 . . . . 5.65 109.859 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 90.3 p -72.62 -26.22 61.6 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.924 -0.58 . . . . 10.21 111.201 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -73.12 -28.05 62.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.726 0.81 . . . . 6.99 110.708 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.82 3.45 86.93 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.602 0.563 . . . . 7.43 112.452 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 7.2 m 66.55 16.36 10.38 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.169 1.387 . . . . 18.26 111.245 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -82.36 157.48 67.79 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.778 0.831 . . . . 10.7 110.231 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.449 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 84.5 Cg_exo -54.27 125.62 19.47 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.653 2.902 . . . . 20.06 112.701 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' D' ' 115' ' ' THR . 4.6 tt0 -53.87 131.32 39.71 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.025 0.828 . . . . 16.85 111.171 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 59.0 tp -117.5 114.63 23.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.919 0.888 . . . . 14.84 109.491 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -106.95 108.45 19.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.292 -1.003 . . . . 76.73 108.292 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.485 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 76.1 mt -68.95 142.79 54.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.551 0.741 . . . . 20.32 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' E' ' 123' ' ' ASP . . . -80.86 127.72 73.91 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 109.514 -0.55 . . . . 28.37 109.514 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.532 ' HG3' HH12 ' D' ' 111' ' ' ARG . 39.2 Cg_exo -56.48 114.69 2.03 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.739 2.293 . . . . 32.68 111.627 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.652 HG21 HG22 ' E' ' 121' ' ' VAL . 3.4 p -108.61 134.26 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.005 0.922 . . . . 69.78 111.01 -168.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -77.69 100.08 6.07 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.698 0.799 . . . . 99.99 109.07 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.4 -31.64 72.85 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.279 0.631 . . . . 99.99 111.667 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -39.98 63.38 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.721 1.208 . . . . 99.99 110.898 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.55 81.59 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.03 0.932 . . . . 99.99 111.768 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.03 -47.2 59.96 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.272 0.629 . . . . 99.99 110.336 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -62.63 -38.57 90.74 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.664 0.603 . . . . 99.99 111.607 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 72.0 mtm -73.71 -26.44 60.71 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 99.99 111.518 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -71.76 -26.8 62.6 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.654 0.782 . . . . 99.99 111.077 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.51 ' O ' ' HG3' ' D' ' 143' ' ' GLN . 23.6 m-85 -72.09 -16.15 62.01 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.884 0.698 . . . . 99.99 112.884 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 43.4 tp -44.19 -25.95 0.27 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.792 1.237 . . . . 99.99 113.657 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.86 47.66 0.15 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.116 1.766 . . . . 99.99 113.134 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' D' ' 140' ' ' TYR . 29.2 mt-30 -112.93 83.95 1.91 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 123.24 1.495 . . . . 99.99 108.592 -174.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' E' ' 221' ' ' ARG . 2.4 pp0? -142.66 -6.57 0.88 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 111.303 -2.68 . . . . 99.99 107.648 166.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.08 -66.01 0.65 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.424 1.09 . . . . 99.99 110.781 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.51 -55.65 24.18 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 111.935 -0.466 . . . . 99.99 111.935 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.95 -61.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 102.21 41.43 2.41 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.468 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 1.6 m -85.6 82.34 8.29 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 109.874 -0.417 . . . . 99.99 109.874 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . 0.697 ' HG2' ' HG3' ' D' ' 151' ' ' GLU . 34.9 tt0 59.73 -84.59 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.149 1.38 . . . . 99.99 112.773 172.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.697 ' HG3' ' HG2' ' D' ' 150' ' ' GLU . 0.0 OUTLIER -140.06 -105.81 0.16 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.171 0.588 . . . . 99.99 112.0 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.29 7.1 14.8 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 118.765 0.711 . . . . 99.99 112.344 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -56.19 -36.56 68.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.427 0.691 . . . . 99.99 110.87 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -163.09 -70.99 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 166.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.565 -1.207 . . . . 99.99 108.247 177.068 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 111.171 0.063 . . . . 99.99 111.171 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -77.45 151.79 34.55 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.889 -0.412 . . . . 99.99 109.889 176.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.551 HE22 ' HG3' ' B' ' 39' ' ' GLU . 23.1 tt0 66.38 114.06 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.47 1.107 . . . . 99.99 110.113 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -71.34 155.05 41.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.238 0.615 . . . . 99.99 111.533 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.0 m -66.14 127.47 32.27 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.2 -0.909 . . . . 99.99 110.204 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.48 163.91 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.679 0.791 . . . . 99.99 111.544 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.446 ' H ' HD11 ' B' ' 42' ' ' LEU . . . -162.22 -58.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.374 0.67 . . . . 99.99 110.231 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' B' ' 131' ' ' VAL . 6.2 tt -153.17 127.32 9.1 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 106.774 -1.565 . . . . 99.99 106.774 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -87.03 0.31 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.315 0.646 . . . . 99.99 110.592 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.521 HD13 ' H ' ' E' ' 11' ' ' LEU . 0.2 OUTLIER -168.64 150.7 4.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.021 -1.103 . . . . 99.99 108.021 -175.147 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.641 HD23 ' H ' ' E' ' 11' ' ' LEU . 2.0 pt? -117.1 154.43 49.9 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 124.39 1.076 . . . . 99.99 110.307 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.23 119.51 6.81 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.709 2.273 . . . . 99.99 111.673 171.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' E' ' 14' ' ' LEU . 56.8 tp -60.73 143.36 54.54 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.608 1.163 . . . . 99.99 110.706 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.528 HD13 ' HG ' ' E' ' 13' ' ' LEU . 7.3 mp 78.75 149.48 0.1 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.649 1.58 . . . . 99.99 111.928 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' B' ' 98' ' ' LEU . 72.2 m-85 -120.42 -150.0 0.44 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.613 1.165 . . . . 99.99 109.435 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.422 ' H ' ' HD3' ' E' ' 17' ' ' PRO . 15.4 m -107.07 -49.22 0.1 Allowed Pre-proline 0 CA--C 1.577 2.009 0 C-N-CA 124.02 0.928 . . . . 99.99 113.235 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' H ' ' E' ' 16' ' ' THR . 36.9 Cg_endo -92.42 -87.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.069 0 C-N-CA 122.606 2.204 . . . . 99.99 113.042 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.97 92.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.332 0 N-CA-C 107.929 -1.138 . . . . 99.99 107.929 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -146.97 1.2 0.76 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.894 -1.048 . . . . 99.99 111.019 -169.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.11 23.64 0.46 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.822 -0.549 . . . . 99.99 112.106 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HA ' ' H ' ' B' ' 91' ' ' GLY . . . -69.49 -51.3 37.18 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.91 0.884 . . . . 99.99 111.133 175.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' E' ' 14' ' ' LEU . 1.3 tmm_? -86.54 77.62 9.37 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 14.6 t -153.32 148.51 20.02 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.052 -0.976 . . . . 99.99 109.083 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.67 135.54 26.25 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.811 1.674 . . . . 99.99 110.333 168.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . 0.434 ' HG3' ' HD2' ' E' ' 27' ' ' PRO . 14.2 tp10 -62.35 -59.63 4.72 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.559 0.744 . . . . 99.99 109.616 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.295 88.2 mtp 97.61 -61.47 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 127.858 2.463 . . . . 99.99 113.966 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.434 ' HD2' ' HG3' ' E' ' 25' ' ' GLU . 24.6 Cg_exo -65.6 84.9 0.22 Allowed 'Trans proline' 0 C--N 1.402 3.379 0 CA-C-N 123.191 2.176 . . . . 99.99 112.631 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.68 -26.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.416 1.086 . . . . 99.99 109.538 174.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' E' ' 30' ' ' GLU . 23.1 tp -87.47 -176.71 5.7 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.639 1.176 . . . . 99.99 108.739 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . 0.404 ' H ' ' HG ' ' E' ' 29' ' ' LEU . 19.7 mm-40 -50.58 96.98 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.457 1.103 . . . . 99.99 111.693 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' E' ' 34' ' ' ALA . 28.1 p-10 -73.76 -25.88 60.38 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.458 0.703 . . . . 99.99 111.336 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 71.63 -71.11 0.14 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.531 1.532 . . . . 99.99 108.953 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.48 -75.63 0.56 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 108.342 -0.985 . . . . 99.99 108.342 170.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' E' ' 31' ' ' ASN . . . 52.82 28.96 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.695 1.198 . . . . 99.99 113.004 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -162.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 108.936 -172.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.39 -66.8 0.3 Allowed Glycine 0 C--N 1.342 0.883 0 CA-C-N 115.351 -0.841 . . . . 99.99 111.744 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -150.65 157.3 42.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.256 0.622 . . . . 99.99 109.745 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -43.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 123.786 0.834 . . . . 99.99 109.146 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . 0.652 HG21 ' HA ' ' B' ' 5' ' ' ASN . 46.0 p 48.65 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.083 1.753 . . . . 99.99 113.701 -173.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.51 89.32 13.78 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.208 0.603 . . . . 99.99 109.429 174.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.73 -2.26 11.61 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.127 2.551 . . . . 99.99 111.719 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.27 -143.24 27.04 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.461 0.476 . . . . 99.99 113.198 172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.34 28.58 5.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.75 -0.472 . . . . 99.99 113.075 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' E' ' 48' ' ' THR . . . -64.04 98.55 0.22 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.101 0.96 . . . . 99.99 109.814 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -146.02 -53.43 0.26 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.656 -169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -138.11 91.66 2.59 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.566 -1.272 . . . . 99.99 107.566 -173.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 52.52 39.63 28.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.725 1.21 . . . . 99.99 111.524 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . 0.472 ' HB ' ' HA ' ' E' ' 44' ' ' ALA . 13.0 m -84.03 75.88 10.11 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.204 -0.907 . . . . 99.99 110.419 -173.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.36 -62.89 0.69 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 109.923 -1.271 . . . . 99.99 109.923 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -96.93 141.99 29.43 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.835 0.854 . . . . 99.99 109.562 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -89.65 -36.44 15.25 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.396 0.678 . . . . 99.99 111.77 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 71.1 p -78.99 -14.32 59.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.053 0.541 . . . . 99.99 111.425 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.78 -53.89 22.44 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.259 1.424 . . . . 99.99 113.006 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.58 18.85 0.07 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.538 0.735 . . . . 99.99 110.562 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -117.76 166.25 12.67 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.349 -0.982 . . . . 99.99 108.349 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 24.7 ttm-85 -104.12 -62.27 1.34 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 106.974 -1.491 . . . . 99.99 106.974 163.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -131.12 -21.57 2.63 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.026 -1.443 . . . . 99.99 108.95 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 33.8 t -154.02 178.91 9.42 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.891 0.876 . . . . 99.99 110.057 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.99 -48.52 70.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.7 1.2 . . . . 99.99 110.938 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 54.1 p -72.12 -33.11 67.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.561 0.744 . . . . 99.99 110.841 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 159.61 -55.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.157 2.183 . . . . 99.99 107.435 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.474 ' HZ3' ' HG3' ' E' ' 79' ' ' GLU . 8.6 ptpp? -133.63 159.57 71.97 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 113.555 -1.657 . . . . 99.99 107.71 176.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -31.2 -45.72 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.085 1 C-N-CA 125.338 4.025 . . . . 99.99 117.031 -171.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 146.04 24.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.9 0.48 . . . . 99.99 110.955 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' E' ' 78' ' ' SER . 87.5 tttt -84.96 73.39 10.68 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.227 -0.657 . . . . 99.99 109.227 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.442 ' HA ' ' HG3' ' E' ' 312' ' ' PRO . 10.5 t30 75.14 -44.52 0.54 Allowed 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.492 1.517 . . . . 99.99 112.757 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HE1' ' B' ' 101' ' ' TYR . 7.1 tp -84.09 102.42 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 124.005 0.922 . . . . 99.99 109.847 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.57 92.4 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.93 161.17 32.48 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.391 1.077 . . . . 99.99 108.235 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.54 22.4 2.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.2 0.6 . . . . 99.99 112.258 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.431 HG12 ' CE2' ' E' ' 120' ' ' TYR . 11.4 tt -128.3 118.94 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.834 0.854 . . . . 99.99 109.041 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.28 39.25 0.67 Allowed Glycine 0 N--CA 1.475 1.258 0 CA-C-N 116.153 -0.476 . . . . 99.99 112.163 -173.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.34 68.0 8.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.554 1.142 . . . . 99.99 110.448 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.41 99.61 0.15 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.6 ptm -80.25 142.69 34.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.143 0.577 . . . . 99.99 110.523 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.21 -159.9 30.06 Favored Glycine 0 C--N 1.34 0.781 0 N-CA-C 110.622 -0.991 . . . . 99.99 110.622 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.4 88.43 2.9 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.603 -0.888 . . . . 99.99 108.603 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . 0.518 ' HB3' ' HD2' ' E' ' 65' ' ' LYS . 27.0 m -80.91 -17.74 49.54 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.651 0.78 . . . . 99.99 112.344 -176.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.474 ' HG3' ' HZ3' ' E' ' 62' ' ' LYS . 34.6 mm-40 -85.51 -61.68 1.7 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.536 0.734 . . . . 99.99 111.364 -169.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt 60.81 109.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.801 1.313 . . . . 99.99 110.247 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 7.6 p -57.07 108.51 0.52 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.675 0.79 . . . . 99.99 111.46 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.79 167.95 15.6 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.206 1.002 . . . . 99.99 110.717 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 -145.92 0.38 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.916 0.886 . . . . 99.99 109.552 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' E' ' 84' ' ' ARG . 2.5 mmp_? -65.4 -29.23 69.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.066 0.546 . . . . 99.99 111.137 174.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 68.93 169.75 0.29 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.923 1.289 . . . . 99.99 112.051 173.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 83.3 t80 66.74 116.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.59 1.156 . . . . 99.99 111.756 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' D' ' 8' ' ' GLU . . . -141.11 161.94 36.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.36 0.664 . . . . 99.99 110.346 175.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.88 160.4 29.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.041 -0.981 . . . . 99.99 110.168 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.35 -174.27 49.73 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.938 -0.865 . . . . 99.99 110.938 168.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -127.72 -72.19 0.64 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 117.54 0.67 . . . . 99.99 110.137 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.34 -169.13 39.37 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 123.277 0.36 . . . . 99.99 112.618 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.75 -76.83 0.81 Allowed Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.505 -0.638 . . . . 99.99 111.505 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -138.96 -32.52 0.67 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.265 -1.013 . . . . 99.99 108.265 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -163.2 -103.83 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.937 0.495 . . . . 99.99 111.612 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -151.0 134.07 15.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.62 1.168 . . . . 99.99 108.938 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.9 88.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.582 0 O-C-N 124.539 1.149 . . . . 99.99 115.19 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' D' ' 94' ' ' MET . 8.0 tt -71.0 -17.08 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.15 0.98 . . . . 99.99 109.449 167.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 23.8 t70 82.12 106.28 0.06 Allowed 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.769 2.028 . . . . 99.99 109.064 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 68.34 -74.81 0.07 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.393 1.477 . . . . 99.99 112.916 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 tp 62.05 65.42 1.65 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 125.091 1.357 . . . . 99.99 109.622 -170.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -87.58 -17.98 2.64 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.061 2.507 . . . . 99.99 112.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' E' ' 105' ' ' GLN . 20.4 mt 66.22 138.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.514 1.926 . . . . 99.99 112.855 -174.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 1.8 t -78.66 80.53 5.02 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 162.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.2 93.22 1.97 Allowed Glycine 0 C--N 1.347 1.174 0 N-CA-C 110.08 -1.208 . . . . 99.99 110.08 -167.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . 0.546 ' HA ' ' HB2' ' E' ' 102' ' ' LEU . 59.5 tt0 -67.63 -24.13 65.43 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.013 0.746 . . . . 99.99 113.013 -169.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . 0.485 ' HA ' ' H ' ' D' ' 48' ' ' SER . 97.4 m-85 -84.63 -61.28 1.83 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.469 -0.937 . . . . 99.99 108.469 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.02 162.02 40.37 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.961 1.304 . . . . 99.99 108.699 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' D' ' 151' ' ' GLU . 65.6 t60 -66.2 -29.28 69.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.246 0.618 . . . . 99.99 110.932 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -129.64 -166.99 1.73 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.032 0.933 . . . . 99.99 110.406 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 121.92 45.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.166 0.986 . . . . 99.99 108.766 173.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 16.8 tp -84.93 -32.17 23.24 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.349 0.66 . . . . 99.99 111.815 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -112.65 13.27 19.9 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.947 0.721 . . . . 99.99 112.947 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.96 -174.85 2.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.726 0.41 . . . . 99.99 111.249 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.92 -70.53 0.12 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.536 1.134 . . . . 99.99 110.471 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 62.98 -78.17 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.877 1.271 . . . . 99.99 111.918 172.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -140.71 -84.43 0.09 OUTLIER Glycine 0 N--CA 1.468 0.772 0 N-CA-C 108.117 -1.993 . . . . 99.99 108.117 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -148.55 124.65 5.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 125.075 1.35 . . . . 99.99 107.521 163.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.451 ' HG2' ' H ' ' E' ' 421' ' ' VAL . 57.3 Cg_endo -76.93 84.66 1.89 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.944 1.763 . . . . 99.99 110.763 166.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.69 -179.37 7.3 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 115.259 -0.882 . . . . 99.99 109.822 172.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' E' ' 71' ' ' ILE . 24.0 t80 68.77 -178.13 0.22 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.245 1.018 . . . . 99.99 108.499 -173.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.652 HG22 HG21 ' D' ' 131' ' ' VAL . 35.7 t 70.2 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 123.946 0.898 . . . . 99.99 111.271 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 87.6 m -153.36 -46.17 0.09 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' D' ' 129' ' ' ALA . 1.0 OUTLIER 62.44 -93.85 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.105 -1.407 . . . . 99.99 110.917 177.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p 44.7 -153.98 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.236 1.414 . . . . 99.99 112.676 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 67.73 -77.66 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.885 1.274 . . . . 99.99 113.318 165.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.24 93.29 0.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.214 1.005 . . . . 96.83 111.129 -174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 29.5 p -169.71 154.22 5.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.315 0.646 . . . . 99.99 111.04 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.33 125.53 6.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.302 0.641 . . . . 74.48 111.045 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.9 t -97.59 138.53 34.87 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.839 0.856 . . . . 99.99 111.042 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.458 ' HB1' ' HG3' ' A' ' 124' ' ' PRO . . . -172.7 93.58 0.12 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.705 0.802 . . . . 99.99 110.734 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.462 ' CZ3' ' HA ' ' D' ' 35' ' ' ASP . 5.7 m-90 -86.04 159.62 19.54 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.166 0.587 . . . . 99.99 110.885 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -114.35 173.09 6.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.363 0.665 . . . . 99.99 111.815 -175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t -86.63 170.87 11.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.056 -0.975 . . . . 99.99 110.611 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.57 177.56 30.78 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.452 -0.794 . . . . 89.58 111.669 168.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 129' ' ' ALA . 5.4 p -132.6 132.3 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.692 0.797 . . . . 99.99 110.055 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 11' ' ' PHE . 87.6 tttt -100.09 93.11 5.56 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.18 0.592 . . . . 99.99 109.529 175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 53.6 m -150.23 128.92 12.35 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.954 -1.128 . . . . 99.99 107.954 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -165.36 137.15 4.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.13 -46.18 62.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.403 0.681 . . . . 99.99 111.035 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 124.79 -107.39 1.0 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.72 -0.552 . . . . 99.99 111.72 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.06 -10.99 58.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.125 0.57 . . . . 99.99 112.05 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.4 tp 61.61 31.87 18.67 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.619 1.199 . . . . 99.99 109.312 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.77 -91.03 1.66 Allowed Glycine 0 C--N 1.344 1.004 0 CA-C-N 114.544 -1.207 . . . . 99.99 111.514 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.05 115.53 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.758 0.823 . . . . 99.99 112.949 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' C' ' 142' ' ' GLN . 19.6 t70 -87.43 145.71 26.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.009 0.524 . . . . 99.99 109.694 172.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' C' ' 140' ' ' TYR . 35.2 mm -117.41 93.76 2.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.625 -0.88 . . . . 99.99 108.625 -175.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.684 ' HA ' HG21 ' C' ' 92' ' ' THR . 58.1 t-80 -74.36 86.09 1.98 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 121.374 0.607 . . . . 99.99 109.607 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -148.02 100.68 3.21 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 126.038 1.735 . . . . 99.99 107.116 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.34 146.74 36.54 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.347 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.21 161.07 31.71 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.795 0.838 . . . . 99.99 111.055 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -128.91 -53.45 0.03 OUTLIER Pre-proline 0 CA--C 1.566 1.594 0 CA-C-N 115.244 -0.889 . . . . 99.99 112.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -88.07 24.39 0.71 Allowed 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 122.084 1.856 . . . . 99.99 114.683 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 27.0 m -92.55 95.28 9.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 109.211 -0.662 . . . . 99.99 109.211 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.428 HD12 ' H ' ' E' ' 154' ' ' ILE . 3.9 mp -76.26 -68.9 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 109.462 -0.569 . . . . 99.99 109.462 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -116.91 -49.26 2.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.649 0.78 . . . . 99.99 109.716 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -144.04 -77.75 0.22 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.371 -0.974 . . . . 99.99 108.371 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -146.25 142.85 28.77 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.395 -0.594 . . . . 99.99 109.395 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.37 55.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.593 0.757 . . . . 99.99 111.682 -176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -76.75 -7.62 55.72 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.327 0.651 . . . . 99.99 112.48 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.87 68.29 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.035 0.534 . . . . 99.99 111.146 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.15 159.47 27.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.828 0.851 . . . . 99.99 110.007 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 88.5 40.19 6.48 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.672 0.608 . . . . 99.99 112.779 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.68 152.54 31.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.303 0.641 . . . . 99.99 109.893 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -121.43 -50.56 2.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.492 0.717 . . . . 99.99 110.657 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 78.9 p 54.78 -77.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.104 1.762 . . . . 99.99 113.042 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 136.42 -0.51 3.16 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.649 -0.528 . . . . 99.99 112.796 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -66.84 109.32 2.86 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.127 0.571 . . . . 99.99 111.052 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.09 -30.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.959 0.903 . . . . 99.99 110.479 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 41.9 t -60.17 -66.71 0.48 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.118 0.967 . . . . 99.99 112.307 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 30.3 m 53.48 -90.34 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.765 1.226 . . . . 99.99 111.701 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 51.42 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.434 1.494 . . . . 99.99 111.725 -174.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -142.73 -70.49 0.33 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.259 -1.385 . . . . 99.99 107.259 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 87.2 mt -121.47 104.42 9.65 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.28 -1.378 . . . . 99.99 107.28 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.88 140.45 58.87 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.714 0.806 . . . . 99.99 110.567 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.0 t70 65.8 34.42 7.42 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.444 1.098 . . . . 99.99 110.808 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.13 81.71 1.28 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.707 -0.62 . . . . 99.99 109.79 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 21.0 m -69.6 124.76 91.23 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.627 -1.17 . . . . 99.99 109.981 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.58 73.31 2.3 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.13 2.554 . . . . 99.99 111.608 174.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -88.78 -12.78 41.12 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.469 176.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -92.74 -168.75 2.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.054 0.942 . . . . 99.99 110.533 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.81 159.46 16.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.51 0.724 . . . . 99.99 110.545 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.43 150.52 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 124.401 1.063 . . . . 99.99 110.559 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 68.82 -155.31 0.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.06 1.344 . . . . 99.99 110.382 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 54.3 m80 78.91 -58.16 0.42 Allowed 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.665 1.586 . . . . 99.99 110.688 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.6 -43.88 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.799 0.84 . . . . 99.99 109.61 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 10.3 t -137.88 147.21 44.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.395 1.078 . . . . 99.99 108.564 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 21.8 t -159.85 179.71 8.57 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.573 0.624 . . . . 99.99 111.472 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -132.28 -176.34 4.04 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.585 1.154 . . . . 99.99 110.593 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? 69.74 -80.01 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.432 1.493 . . . . 99.99 110.727 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 61.0 m -155.12 -45.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 70.7 t80 74.08 -58.86 0.57 Allowed 'General case' 0 C--N 1.368 1.395 0 C-N-CA 126.375 1.87 . . . . 99.99 110.913 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -139.62 -162.04 8.96 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.149 -0.78 . . . . 99.99 111.149 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.54 -150.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.072 2.515 . . . . 99.99 112.539 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 70.6 m 72.31 176.48 0.27 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.761 1.224 . . . . 99.99 111.317 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 64.4 14.72 9.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.324 1.05 . . . . 99.99 111.789 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 19.5 m -152.11 160.32 43.45 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.239 1.415 . . . . 99.99 107.773 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' E' ' 200' ' ' CYS . 25.1 m -78.9 43.9 0.53 Allowed 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.615 0.766 . . . . 99.99 111.241 175.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 59.15 -86.35 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.316 1.846 . . . . 99.99 111.671 -175.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.546 ' HD2' ' H ' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -93.2 -24.1 18.33 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.288 0.635 . . . . 99.99 110.463 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' E' ' 197' ' ' SER 0.267 83.9 m 102.94 -67.4 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.813 0 C-N-CA 128.267 2.627 . . . . 99.99 111.914 -176.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' E' ' 200' ' ' CYS . 12.0 Cg_exo -68.74 105.22 1.27 Allowed 'Trans proline' 0 C--N 1.399 3.214 0 CA-C-N 122.789 2.032 . . . . 99.99 112.222 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -80.6 79.21 1.78 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 109.415 -1.474 . . . . 99.99 109.415 167.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.43 -51.11 70.08 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.752 0.821 . . . . 99.99 111.348 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -167.66 -81.33 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.07 -0.968 . . . . 99.99 109.43 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 48.94 40.09 16.01 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 125.234 1.414 . . . . 99.99 110.981 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.64 -67.44 0.25 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.502 1.521 . . . . 99.99 111.466 -176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -130.54 128.36 40.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.074 0.949 . . . . 99.99 109.939 -171.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -93.29 -160.45 35.35 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 116.082 -0.508 . . . . 99.99 112.319 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -75.39 162.58 53.48 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.284 -0.326 . . . . 99.99 112.284 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -91.27 40.16 1.02 Allowed 'General case' 0 CA--C 1.563 1.447 0 CA-C-O 121.773 0.797 . . . . 99.99 109.737 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 143.56 -179.04 21.3 Favored Glycine 0 C--N 1.344 1.017 0 CA-C-N 115.883 -0.599 . . . . 99.99 111.702 -176.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 29.4 t -156.33 152.54 27.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.174 0.589 . . . . 99.99 110.79 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 61.6 mt -115.71 150.94 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.91 1.284 . . . . 99.99 109.984 -176.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 17.6 m -76.76 70.95 3.29 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.449 1.119 . . . . 99.99 109.674 172.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -88.63 -11.13 46.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.095 1.358 . . . . 99.99 111.633 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.89 -49.05 60.15 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.999 1.319 . . . . 99.99 113.228 -168.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.555 HD23 ' H ' ' E' ' 220' ' ' ALA . 3.7 tt -163.42 -73.77 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.339 -1.356 . . . . 99.99 107.339 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 48.1 tp 46.11 79.12 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.38 1.472 . . . . 99.99 112.77 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.13 29.5 19.06 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.156 0.982 . . . . 99.99 111.175 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . 0.555 ' H ' HD23 ' E' ' 217' ' ' LEU . . . 61.77 35.72 16.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.014 1.325 . . . . 99.99 110.652 -176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' D' ' 144' ' ' GLN . 97.5 mtt180 64.06 85.4 0.14 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.44 1.496 . . . . 99.99 110.635 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -121.45 165.11 16.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.691 0.796 . . . . 99.99 110.953 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.38 137.85 58.11 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.259 0.974 . . . . 99.99 110.472 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.55 173.04 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.013 0.525 . . . . 99.99 109.975 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -56.67 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.534 0.734 . . . . 99.99 111.635 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' E' ' 231' ' ' LYS . 72.6 mt 54.82 59.26 4.19 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.557 1.543 . . . . 99.99 110.949 -174.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -73.49 -63.94 2.63 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.53 -0.759 . . . . 99.99 112.795 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -77.94 75.43 1.88 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 112.741 -0.144 . . . . 99.99 112.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 171.52 -167.52 40.61 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 122.686 0.184 . . . . 99.99 113.122 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -129.39 18.71 5.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.787 1.235 . . . . 99.99 110.618 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.408 ' HG3' HD13 ' E' ' 226' ' ' LEU . 42.1 tttm 70.47 -80.12 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.344 1.857 . . . . 99.99 112.182 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 5.4 t -157.48 68.05 0.52 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.098 0.559 . . . . 99.99 110.555 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 63.8 t80 57.5 -84.82 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.702 1.201 . . . . 99.99 112.795 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -140.21 32.6 1.92 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.679 0.792 . . . . 99.99 110.758 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 60.86 -79.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.338 1.455 . . . . 99.99 111.812 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 50.4 p -79.19 -61.98 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.202 0.601 . . . . 99.99 110.12 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 59.53 -85.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.72 1.208 . . . . 99.99 111.129 -174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 16.5 m 69.8 -11.57 0.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.582 1.327 . . . . 99.99 114.582 166.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -74.33 107.23 6.36 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.735 -0.603 . . . . 99.99 110.532 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 142.9 -175.87 22.82 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-O 119.469 -0.628 . . . . 99.99 111.585 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 57.66 -84.32 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.254 1.422 . . . . 99.99 112.235 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -67.39 -34.44 77.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.609 0.763 . . . . 99.99 110.923 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.98 -19.96 19.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.172 0.989 . . . . 99.99 109.762 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -65.48 -12.57 56.47 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 118.779 -1.011 . . . . 99.99 115.14 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' E' ' 246' ' ' THR . 28.2 ttmt 67.65 -179.37 0.22 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.199 0.999 . . . . 99.99 110.141 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.741 ' HA ' ' HB3' ' E' ' 250' ' ' GLN . 86.7 m 82.5 -54.89 0.21 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.099 1.36 . . . . 99.99 113.544 166.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.7 -55.66 9.02 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.551 1.141 . . . . 99.99 113.876 -164.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.595 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -83.06 -68.62 0.69 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.992 0.425 . . . . 99.99 111.704 -169.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -86.74 -58.0 2.77 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.66 0.784 . . . . 99.99 111.023 -170.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.741 ' HB3' ' HA ' ' E' ' 246' ' ' THR . 23.2 tm0? -64.46 -15.14 60.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.505 1.122 . . . . 99.99 112.416 -169.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -50.22 -20.58 1.07 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.996 1.318 . . . . 99.99 113.646 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.07 -13.8 13.53 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.592 1.157 . . . . 99.99 113.644 174.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -43.9 -42.94 6.11 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.128 1.771 . . . . 99.99 114.524 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -124.62 143.22 50.84 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.88 0.472 . . . . 99.99 110.875 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.02 38.21 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 115.272 -0.876 . . . . 99.99 111.069 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -79.96 63.9 4.63 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.394 1.092 . . . . 99.99 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -99.96 -52.41 3.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.391 -0.822 . . . . 99.99 109.947 -173.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . 0.597 ' HG ' ' H ' ' E' ' 259' ' ' VAL . 14.9 tp 58.7 -156.8 0.33 Allowed 'General case' 0 CA--C 1.563 1.468 0 O-C-N 124.41 1.069 . . . . 99.99 109.616 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.597 ' H ' ' HG ' ' E' ' 258' ' ' LEU . 18.1 t 59.58 23.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 CA-C-O 122.761 1.267 . . . . 99.99 110.618 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 14.7 m -82.85 161.96 21.76 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.909 -1.041 . . . . 99.99 110.248 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 71.82 -84.94 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.816 1.246 . . . . 99.99 111.73 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.83 -68.28 0.38 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.345 0.658 . . . . 99.99 112.445 -168.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -77.8 -1.62 32.36 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.727 0.811 . . . . 99.99 111.572 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 45.5 t -94.49 -12.83 26.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.092 0.957 . . . . 99.99 111.034 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 79.8 mt 70.43 143.16 0.05 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.287 1.435 . . . . 99.99 111.28 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.94 82.84 0.16 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.241 1.016 . . . . 99.99 109.378 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.6 m -91.67 176.48 6.52 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.018 -0.992 . . . . 99.99 112.866 -163.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . 0.306 2.5 m 73.45 -28.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 C-N-CA 128.548 2.739 . . . . 99.99 114.319 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 27.6 m -147.6 -81.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.11 -0.7 . . . . 99.99 109.11 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -165.54 -68.98 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.562 -0.903 . . . . 99.99 108.562 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -86.55 3.09 45.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.106 0.78 . . . . 99.99 113.106 -171.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.542 ' HB3' ' HB2' ' E' ' 275' ' ' LYS . 7.8 m120 -58.33 -57.97 10.55 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.105 0.962 . . . . 99.99 111.616 -172.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 52.69 -82.54 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 125.219 1.408 . . . . 99.99 112.503 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.69 -35.62 80.58 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.502 1.121 . . . . 99.99 110.983 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.542 ' HB2' ' HB3' ' E' ' 272' ' ' ASN . 99.3 mttt -68.84 127.3 93.18 Favored Pre-proline 0 CA--C 1.552 1.057 0 CA-C-N 114.452 -1.249 . . . . 99.99 111.682 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.732 ' HD2' ' HB1' ' C' ' 87' ' ' ALA . 17.3 Cg_exo -67.61 -74.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.084 2.523 . . . . 99.99 111.822 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 178.37 171.33 0.75 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.947 1.299 . . . . 99.99 109.045 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.407 HD11 HD13 ' C' ' 86' ' ' ILE . 4.8 tt -126.97 119.29 26.32 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 106.748 -1.575 . . . . 99.99 106.748 168.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -161.0 89.29 0.11 Allowed Glycine 0 C--N 1.348 1.232 0 CA-C-O 120.066 -0.297 . . . . 99.99 112.874 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -170.22 111.43 0.42 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.629 -1.619 . . . . 99.99 106.629 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -160.73 71.47 0.43 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.576 0.703 . . . . 99.99 109.391 170.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -77.17 125.42 29.3 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.745 -1.116 . . . . 99.99 109.202 174.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.45 124.79 21.62 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.616 0.767 . . . . 99.99 110.023 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -156.11 162.77 31.56 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 123.533 0.521 . . . . 99.99 111.862 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -140.21 134.17 30.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.778 0.831 . . . . 99.99 109.77 -175.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' E' ' 286' ' ' MET . 1.3 mpt? -86.91 128.59 55.44 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.772 0.829 . . . . 99.99 109.32 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -64.96 100.18 0.35 Allowed 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 123.125 2.55 . . . . 99.99 111.761 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 59.0 t -122.69 125.55 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.651 0.78 . . . . 99.99 109.937 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.574 ' HB2' ' HD3' ' E' ' 446' ' ' PRO . 34.7 ttm180 -88.88 146.53 24.88 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.539 -0.912 . . . . 99.99 108.539 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -79.72 144.82 33.31 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.032 0.444 . . . . 99.99 110.076 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.68 -37.63 16.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.166 0.986 . . . . 99.99 111.351 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 72.06 79.83 0.41 Allowed Glycine 0 C--N 1.348 1.198 0 CA-C-O 119.609 -0.551 . . . . 99.99 111.989 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.47 170.94 17.63 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.875 2.383 . . . . 99.99 111.925 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -87.78 65.19 8.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.884 -0.784 . . . . 99.99 108.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' C' ' 125' ' ' GLN . . . -164.46 177.11 8.42 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.885 -1.052 . . . . 99.99 110.195 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 25.3 m 62.44 84.4 0.14 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.621 1.168 . . . . 99.99 111.311 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.633 ' H ' ' HG2' ' C' ' 124' ' ' PRO . 27.1 m-85 62.73 101.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.23 1.412 . . . . 99.99 112.68 175.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -143.71 22.96 1.78 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.514 -0.921 . . . . 99.99 108.514 173.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 95.12 -177.12 34.96 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.65 -0.705 . . . . 99.99 112.533 -173.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.98 67.7 0.89 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.442 1.097 . . . . 99.99 111.45 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.34 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 107.871 -1.159 . . . . 99.99 107.871 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -154.43 152.21 29.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.757 0.423 . . . . 99.99 111.264 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -142.3 144.31 30.7 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.564 1.546 . . . . 99.99 108.72 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.29 129.54 25.79 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.019 2.479 . . . . 99.99 112.466 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' D' ' 12' ' ' GLN . . . -68.87 132.71 47.18 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.772 0.829 . . . . 99.99 111.384 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.05 158.89 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.162 0.985 . . . . 99.99 110.1 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 10.5 t -124.01 149.66 45.79 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 122.048 -0.407 . . . . 99.99 109.934 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 23.7 p -155.23 122.41 5.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.983 0.513 . . . . 99.99 110.652 -176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 14.3 p -142.19 114.19 6.33 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 125.081 1.352 . . . . 99.99 107.486 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.75 -93.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.355 2.037 . . . . 99.99 113.903 -172.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 8.5 t30 51.07 65.11 7.1 Favored Pre-proline 0 CA--C 1.566 1.571 0 C-N-CA 124.608 1.163 . . . . 99.99 110.903 -169.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . 0.442 ' HG3' ' HA ' ' E' ' 66' ' ' ASN . 85.7 Cg_endo -79.46 83.81 2.17 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.126 2.551 . . . . 99.99 112.164 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -97.34 114.9 26.77 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.979 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.489 ' HE ' ' HB ' ' B' ' 92' ' ' THR . 32.0 tpt180 -159.34 -21.34 0.07 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.235 0.614 . . . . 99.99 111.626 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -69.87 -9.54 55.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 117.897 0.317 . . . . 99.99 111.47 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 24.5 t70 71.05 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 125.455 1.502 . . . . 99.99 109.882 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 63.6 p -143.9 136.61 27.16 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.933 0.893 . . . . 99.99 109.134 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.43 126.3 92.25 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.01 0.524 . . . . 99.99 109.701 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.98 -57.95 0.97 Allowed 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.659 2.239 . . . . 99.99 112.5 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 24.5 m 64.99 -69.02 0.1 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.555 1.542 . . . . 99.99 113.08 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.79 -54.17 25.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.21 1.004 . . . . 99.99 110.303 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 64.45 -77.68 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.908 1.283 . . . . 99.99 111.741 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -112.91 -11.59 13.4 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.411 0.684 . . . . 99.99 111.325 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.663 ' HB2' ' HD2' ' E' ' 404' ' ' LYS . 24.8 ttt -56.49 -54.02 50.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.493 0.717 . . . . 99.99 111.124 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . 0.628 HG23 ' H ' ' E' ' 326' ' ' ASP 0.254 7.2 t 37.55 -86.53 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 126.57 1.948 . . . . 99.99 114.215 -177.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.628 ' H ' HG23 ' E' ' 325' ' ' THR . 5.3 p-10 -148.1 10.79 0.91 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.646 1.179 . . . . 99.99 109.612 175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.57 93.97 0.54 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.904 1.282 . . . . 99.99 109.468 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.549 ' H ' ' HA ' ' E' ' 332' ' ' LEU . . . -87.46 -81.9 0.23 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.859 0.688 . . . . 99.99 112.859 -168.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.599 HG12 ' HB2' ' E' ' 335' ' ' ASN . 1.1 pp -89.9 -75.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 118.112 0.415 . . . . 99.99 112.054 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.529 ' H ' HD12 ' E' ' 329' ' ' ILE . 37.9 mt-10 -99.72 -64.31 1.05 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.017 0.826 . . . . 99.99 110.108 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.95 -64.16 1.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 115.184 -0.916 . . . . 99.99 111.318 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' E' ' 328' ' ' ALA . 2.2 pt? -168.53 -159.74 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.844 0.858 . . . . 99.99 109.296 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 53.1 p 74.28 -12.12 0.92 Allowed 'General case' 0 N--CA 1.507 2.382 0 C-N-CA 125.911 1.684 . . . . 99.99 114.902 165.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 61.95 23.4 13.78 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.007 0.923 . . . . 99.99 112.286 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . 0.599 ' HB2' HG12 ' E' ' 329' ' ' ILE . 11.9 t30 66.38 18.88 10.94 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.427 1.091 . . . . 99.99 111.193 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 59.95 88.88 0.07 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.19 0.996 . . . . 99.99 110.661 -174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -69.48 98.14 1.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.094 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 90.0 123.59 2.54 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -69.05 -42.01 76.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 117.697 0.748 . . . . 99.99 109.38 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 56.84 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.491 1.516 . . . . 99.99 111.88 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 88.1 mt -122.24 -7.84 8.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.472 0.709 . . . . 99.99 112.332 -174.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.04 117.67 15.05 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.561 0.696 . . . . 99.99 109.334 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 34.5 m -89.1 168.14 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.783 0 C-N-CA 124.008 0.923 . . . . 99.99 109.154 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.31 114.43 3.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -154.04 8.48 0.41 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.606 -0.725 . . . . 99.99 112.428 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -88.54 61.14 5.95 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.723 -0.843 . . . . 99.99 108.723 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.7 m -89.47 37.74 0.88 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.973 -1.012 . . . . 99.99 110.185 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 139.32 18.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 124.463 1.105 . . . . 99.99 109.879 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.45 102.64 2.71 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.092 -1.077 . . . . 99.99 108.092 172.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -72.26 86.09 1.09 Allowed 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.043 -0.725 . . . . 99.99 109.043 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -55.38 9.13 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.502 -1.295 . . . . 99.99 107.502 176.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 t70 59.94 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 O-C-N 125.308 1.63 . . . . 99.99 111.168 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -56.17 -43.55 78.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.7 0.8 . . . . 99.99 110.888 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 60.58 -173.74 0.12 Allowed 'General case' 0 CA--C 1.553 1.085 0 O-C-N 124.586 1.179 . . . . 99.99 112.488 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.73 74.54 2.08 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.291 -1.003 . . . . 99.99 108.291 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 9.1 t30 63.64 91.25 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.676 1.19 . . . . 99.99 110.536 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.54 7.85 4.27 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.977 2.452 . . . . 99.99 112.584 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 43.8 t -85.54 135.69 33.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.398 1.079 . . . . 99.99 109.98 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -87.12 -138.18 5.42 Favored Glycine 0 C--N 1.347 1.151 0 O-C-N 123.313 0.383 . . . . 99.99 113.032 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -67.66 -45.43 75.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.652 0.781 . . . . 99.99 109.899 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 28.1 pt -106.34 -151.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 107.514 -1.291 . . . . 99.99 107.514 169.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -55.18 -72.54 0.54 Allowed Glycine 0 C--N 1.363 2.043 0 N-CA-C 110.768 -0.933 . . . . 99.99 110.768 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 65.25 108.1 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.975 1.31 . . . . 99.99 112.307 167.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 41.8 m 69.08 -64.77 0.32 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.999 1.32 . . . . 99.99 110.928 -177.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.66 138.75 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.544 0.738 . . . . 99.99 109.715 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.09 151.35 27.06 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.938 0.895 . . . . 99.99 110.17 -173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.46 -21.2 65.55 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.631 0.604 . . . . 99.99 112.631 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.8 -24.52 55.95 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.888 0.475 . . . . 99.99 110.943 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.92 -32.48 73.77 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.311 0.577 . . . . 99.99 110.198 173.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.75 63.83 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.058 -0.974 . . . . 99.99 111.315 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.17 -38.87 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.307 0.575 . . . . 99.99 109.472 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.31 -18.42 64.59 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.836 -1.074 . . . . 99.99 112.709 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -57.95 -31.38 66.8 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.089 0.556 . . . . 99.99 112.354 -173.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.9 59.22 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.054 0.542 . . . . 99.99 110.645 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.25 -45.06 94.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 99.99 109.845 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.4 -46.84 78.46 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.638 1.175 . . . . 99.99 110.078 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.19 -30.44 70.39 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.507 0.723 . . . . 99.99 111.106 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.16 64.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.39 0.676 . . . . 99.99 111.235 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -71.16 -26.71 63.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.738 0.415 . . . . 99.99 110.537 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt 64.43 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.362 1.139 0 C-N-CA 125.481 1.512 . . . . 99.99 110.426 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 -42.29 0.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.232 1.013 . . . . 99.99 109.082 170.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 69.93 -82.89 0.31 Allowed Glycine 0 C--N 1.352 1.459 0 CA-C-N 116.426 -0.352 . . . . 99.99 112.689 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -146.45 7.15 0.99 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.715 0.806 . . . . 99.99 111.296 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 p -61.16 113.02 2.35 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.435 0.694 . . . . 99.99 111.846 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.63 6.68 4.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.009 1.324 . . . . 99.99 112.14 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.13 102.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 N-CA-C 107.981 -1.118 . . . . 99.99 107.981 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 26.8 pt -127.64 139.43 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.713 0.805 . . . . 99.99 109.631 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 60.1 t -103.47 111.95 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 108.221 -1.029 . . . . 99.99 108.221 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.4 t -125.33 146.62 49.49 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.957 0.903 . . . . 99.99 109.216 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.39 83.55 6.4 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -170.73 107.17 0.29 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.329 1.052 . . . . 99.99 108.848 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.4 m80 49.33 74.7 0.18 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.754 1.222 . . . . 99.99 110.812 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -59.69 96.48 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.515 -0.55 . . . . 99.99 109.515 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -61.31 -64.69 0.86 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 124.035 0.835 . . . . 99.99 109.942 -169.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 44.8 25.0 0.12 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.195 1.398 . . . . 99.99 114.311 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 31.6 t -90.45 12.88 17.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.293 1.037 . . . . 99.99 110.748 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.55 76.08 4.09 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.328 1.051 . . . . 99.99 109.698 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.68 -50.47 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.993 -1.114 . . . . 99.99 107.993 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.407 HG23 ' HD3' ' E' ' 401' ' ' PRO . 23.4 m -115.31 -171.19 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-N 114.132 -1.395 . . . . 99.99 108.1 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.67 50.56 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 108.948 -0.76 . . . . 99.99 108.948 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.407 ' HD3' HG23 ' E' ' 399' ' ' VAL . 86.8 Cg_endo -85.59 149.57 10.05 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.721 2.281 . . . . 99.99 110.72 173.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.54 120.67 33.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.129 -0.693 . . . . 99.99 109.129 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 1.2 t 65.21 152.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 127.667 2.387 . . . . 99.99 112.813 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.663 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 82.7 tttt -75.75 86.38 2.76 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.131 -1.062 . . . . 99.99 108.131 171.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -74.67 112.18 16.38 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.645 0.778 . . . . 99.99 110.068 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.5 160.0 22.42 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.753 2.302 . . . . 99.99 112.123 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -170.01 107.1 0.26 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 110.914 -0.875 . . . . 99.99 110.914 -176.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 pp -156.16 154.62 31.12 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.222 1.009 . . . . 99.99 109.966 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 63.0 p -96.01 47.35 1.09 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.474 1.11 . . . . 99.99 109.854 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 60.09 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.842 1.257 . . . . 99.99 110.103 -168.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -134.29 -86.27 0.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.678 -1.231 . . . . 99.99 107.678 169.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.11 171.68 7.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.359 0.663 . . . . 99.99 110.207 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -63.21 -41.73 99.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.409 0.684 . . . . 99.99 111.297 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 23.7 m -68.34 -62.62 1.32 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.901 -0.777 . . . . 99.99 108.901 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' E' ' 416' ' ' ASP . 17.4 ptmt -174.08 -61.45 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.775 -1.102 . . . . 99.99 109.105 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . 0.461 ' H ' ' HG3' ' E' ' 415' ' ' LYS . 32.8 t70 -126.71 -26.4 3.24 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.322 1.049 . . . . 99.99 111.084 -173.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 67.6 -117.2 8.57 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 118.866 -0.963 . . . . 99.99 111.999 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 73.1 -63.68 0.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 125.539 1.536 . . . . 99.99 112.438 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 21.3 t 60.24 65.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.64 1.176 . . . . 99.99 108.971 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 62.3 mtt -71.73 104.79 3.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.451 -1.25 . . . . 99.99 110.414 -173.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.451 ' H ' ' HG2' ' E' ' 118' ' ' PRO . 60.8 t 68.76 -96.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 125.35 1.46 . . . . 99.99 110.332 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 25.1 mmt 48.44 35.67 6.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.183 0.993 . . . . 99.99 112.441 -176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 16.0 m -74.73 85.38 2.15 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.897 0.879 . . . . 99.99 110.873 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -125.09 109.63 13.15 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 107.898 -1.149 . . . . 99.99 107.898 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 93.84 96.15 1.55 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 111.499 -0.64 . . . . 99.99 111.499 -173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -166.4 14.91 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.438 0.695 . . . . 99.99 112.448 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 36.4 t -158.42 35.89 0.23 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.0 -0.741 . . . . 99.99 109.0 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.71 90.11 7.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.396 -0.82 . . . . 99.99 111.793 -165.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 4.38 52.76 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.594 1.158 . . . . 99.99 111.553 174.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.52 -11.7 61.04 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.857 0.863 . . . . 99.99 111.343 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 7.8 p -75.28 -48.32 23.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.172 0.989 . . . . 99.99 110.926 167.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -55.44 -56.95 14.21 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.322 1.449 . . . . 99.99 112.436 -165.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 29.57 -80.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.833 2.053 . . . . 99.99 116.385 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -105.86 27.41 8.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.078 0.951 . . . . 99.99 112.182 -161.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 8.9 t -64.25 -25.95 68.29 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.584 0.353 . . . . 99.99 111.398 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -158.99 165.0 34.03 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.684 -0.566 . . . . 99.99 111.684 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 15.4 t -159.62 28.07 0.19 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.231 0.613 . . . . 99.99 109.777 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 74.99 -60.26 0.52 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.934 1.694 . . . . 99.99 111.693 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.5 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.279 1.431 . . . . 99.99 111.126 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 57.72 79.5 0.2 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.284 1.034 . . . . 99.99 110.633 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . 0.464 HD13 ' HD1' ' E' ' 444' ' ' TYR . 18.8 tt -118.26 -35.72 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.549 -0.75 . . . . 99.99 110.284 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 65.24 -73.22 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.492 1.517 . . . . 99.99 111.77 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -70.87 97.35 1.39 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.245 0.618 . . . . 99.99 109.383 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . 0.464 ' HD1' HD13 ' E' ' 441' ' ' ILE . 52.9 t80 -130.31 -78.82 0.54 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.346 -0.983 . . . . 99.99 108.346 176.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 31.73 -146.16 0.01 OUTLIER Glycine 0 C--N 1.37 2.42 0 N-CA-C 116.062 1.185 . . . . 99.99 116.062 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' E' ' 289' ' ' ARG . 87.9 Cg_endo -87.06 161.84 8.7 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.984 2.456 . . . . 99.99 111.915 171.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -117.45 -19.22 9.58 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.924 0.89 . . . . 99.99 110.217 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -154.01 152.32 30.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.523 0.729 . . . . 99.99 110.504 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -117.62 128.32 54.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.234 1.014 . . . . 99.99 109.094 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.32 135.79 44.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.371 0.668 . . . . 99.99 111.153 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.458 HG12 ' N ' ' E' ' 452' ' ' VAL . 53.2 t -122.56 172.83 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.116 1.367 . . . . 99.99 107.991 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 89' ' ' ILE . 61.0 t -46.88 96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 124.819 1.247 . . . . 99.99 111.23 170.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.407 ' N ' HD12 ' E' ' 454' ' ' LEU . . . -160.06 49.43 0.38 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.292 -1.923 . . . . 99.99 108.292 175.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 101' ' ' TYR . 4.9 mp -76.75 130.09 37.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 113.935 -1.132 . . . . 99.99 110.296 -165.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 9.0 m -62.58 142.95 57.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.199 1.0 . . . . 99.99 110.789 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 134' ' ' ASP . 3.2 p30 -149.71 -42.39 0.14 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.102 0.561 . . . . 99.99 110.493 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.5 92.62 4.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.468 0.707 . . . . 99.99 110.015 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.476 HG21 HD21 ' A' ' 132' ' ' ASN . 23.1 p -139.09 -53.85 0.57 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.211 0.604 . . . . 99.99 111.981 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 33.6 t70 77.35 128.4 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.517 1.527 . . . . 99.99 110.63 -175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.565 HD13 ' N ' ' E' ' 461' ' ' PHE . 1.0 OUTLIER -173.02 -171.26 0.72 Allowed 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 109.205 -0.665 . . . . 99.99 109.205 -166.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.565 ' N ' HD13 ' E' ' 460' ' ' LEU . 96.8 m-85 85.16 -81.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.204 1.802 . . . . 99.99 110.768 166.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -89.38 -4.86 57.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.2 0.6 . . . . 99.99 109.763 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 18.9 m -76.76 -33.72 58.07 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.592 1.157 . . . . 99.99 110.72 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -88.48 135.09 33.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.178 0.591 . . . . 99.99 109.505 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -119.89 -44.4 2.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.277 0.631 . . . . 99.99 110.405 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.31 1.63 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.369 0.668 . . . . 99.99 110.786 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -96.95 95.71 8.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.435 -0.802 . . . . 99.99 109.573 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 128' ' ' LEU . 3.9 mm? 60.54 -152.2 0.39 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.968 0.907 . . . . 99.99 110.934 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' E' ' 468' ' ' LEU . . . -158.44 -101.22 0.17 Allowed Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.148 -0.781 . . . . 99.99 111.148 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.477 HD22 ' HE1' ' A' ' 36' ' ' TRP . 95.6 mt 63.62 24.27 13.88 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.329 1.052 . . . . 99.99 111.114 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . 0.525 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 62.2 mttm . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.077 1.351 . . . . 99.99 109.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.559 0.219 . . . . 99.99 111.177 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -90.9 9.83 28.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.946 0.898 . . . . 99.99 112.166 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' C' ' 145' ' ' ALA . 2.1 mp0 -110.94 -37.88 5.26 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.225 0.61 . . . . 99.99 109.598 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.659 ' NE2' ' HB2' ' A' ' 3' ' ' GLU . 1.8 mp0 -92.12 29.17 1.69 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.579 0.752 . . . . 99.99 110.97 178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 68.8 2.97 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.753 0.821 . . . . 99.99 111.156 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 50.37 15.41 0.2 Allowed 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 125.953 1.701 . . . . 99.99 113.807 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m 56.21 -84.13 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.141 1.377 . . . . 99.99 110.211 -162.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 59.56 -75.52 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 125.638 1.575 . . . . 99.99 112.42 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 89' ' ' ILE . 21.5 ptt? -59.5 135.26 57.61 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.269 1.028 . . . . 99.99 111.411 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -155.14 126.92 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.433 0.693 . . . . 99.99 110.597 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' HD1' HD13 ' A' ' 86' ' ' ILE . 46.0 t80 -102.7 124.28 47.94 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -144.7 114.68 7.38 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.759 -0.459 . . . . 99.99 109.759 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 16' ' ' ILE . 48.5 mt -72.8 126.68 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 109.533 -0.543 . . . . 63.61 109.533 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -41.84 12.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.261 0.624 . . . . 99.99 109.496 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' B' ' 29' ' ' PRO . 64.6 ttt180 -170.99 126.77 0.7 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.457 0.303 . . . . 87.02 111.184 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 13' ' ' ILE . 45.9 mt -116.11 131.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 C-N-CA 123.447 0.699 . . . . 27.8 109.204 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 83' ' ' ILE . 18.2 p90 -163.81 150.46 11.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.163 0.985 . . . . 37.37 110.724 -172.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -81.51 116.49 21.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.497 -0.927 . . . . 12.57 108.497 174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -81.81 -23.67 36.36 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.944 -0.391 . . . . 37.56 109.944 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -155.83 142.97 19.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.904 0.881 . . . . 38.09 108.97 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 97.5 mt -134.69 151.32 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.319 1.447 . . . . 5.43 107.257 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 44.3 t -153.99 139.56 17.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.74 0.416 . . . . 6.92 110.112 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 74.2 t80 -150.36 136.05 18.26 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.059 -1.089 . . . . 5.61 108.059 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -136.59 146.45 46.11 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.75 0.82 . . . . 36.27 108.955 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -148.78 75.56 10.01 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.794 0.838 . . . . 12.68 109.158 171.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.2 -20.14 33.13 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 32.78 111.531 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' OD1' ' HG3' ' A' ' 71' ' ' GLU . 38.9 m-80 -111.0 20.19 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.078 0.951 . . . . 80.05 111.343 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.589 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -55.12 -46.42 99.68 Favored Pre-proline 0 CA--C 1.567 1.61 0 O-C-N 124.226 0.953 . . . . 31.49 110.575 163.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 3.0 Cg_exo -82.89 -30.34 1.0 Allowed 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 122.205 1.937 . . . . 44.68 114.037 172.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -74.19 -15.54 61.01 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 122.849 0.46 . . . . 99.99 112.214 -173.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -58.82 -26.5 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 124.352 1.061 . . . . 99.99 112.37 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.51 -34.06 73.55 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.217 1.007 . . . . 99.99 111.484 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -91.2 -29.93 16.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.408 0.683 . . . . 99.99 111.063 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.38 162.12 25.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.532 0.733 . . . . 99.99 111.016 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -75.82 130.6 38.84 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 107.748 -1.204 . . . . 99.99 107.748 163.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -90.4 78.18 6.45 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.858 0.837 . . . . 99.99 110.791 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -152.62 84.97 4.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.095 -1.446 . . . . 99.99 107.095 162.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.68 -175.21 1.52 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.54 2.16 . . . . 57.34 114.16 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -94.16 97.33 10.21 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.002 -1.11 . . . . 99.99 108.002 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.06 93.41 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 123.113 1.435 . . . . 48.36 109.215 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HD2' ' HB ' ' A' ' 65' ' ' THR . 8.6 tmtm? -110.9 145.13 38.84 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.317 -1.765 . . . . 99.99 108.954 -170.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.0 151.62 49.19 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.146 0.578 . . . . 97.85 110.856 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 16.9 m-20 -129.49 131.06 46.57 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.759 1.224 . . . . 85.15 107.774 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 131' ' ' VAL . 69.6 mt -115.65 117.69 30.99 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 8.7 m-20 -143.37 162.89 34.55 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.164 0.986 . . . . 78.84 108.782 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 98' ' ' LEU . 24.2 m -145.14 154.17 42.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.305 1.042 . . . . 43.33 108.95 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.88 111.87 11.95 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.684 1.194 . . . . 41.53 108.033 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 p -87.18 151.36 23.25 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 108.687 -0.857 . . . . 88.8 108.687 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.6 t -163.87 150.12 11.44 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.17 0.988 . . . . 73.87 108.68 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' TYR . 65.0 tt0 -115.99 137.68 51.89 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 168.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.7 mt -106.78 -40.51 5.48 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.147 0.579 . . . . 99.99 110.559 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . . . -151.41 -176.21 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.498 0.719 . . . . 99.99 110.472 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.18 122.2 20.62 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.087 -0.708 . . . . 99.99 109.087 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 66.18 17.04 10.65 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.883 1.273 . . . . 99.99 112.227 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 57.8 t -128.87 113.56 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 108.817 -0.809 . . . . 99.99 108.817 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' E' ' 454' ' ' LEU . 7.4 p90 -124.55 149.03 47.42 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 109.086 -0.709 . . . . 99.99 109.086 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -112.68 129.24 56.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.75 0.82 . . . . 57.04 109.237 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.38 124.1 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 N-CA-C 107.89 -1.152 . . . . 54.22 107.89 170.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 60.7 t -99.42 124.38 52.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.479 -0.934 . . . . 29.36 108.479 172.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.75 24.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 106.709 -1.589 . . . . 19.86 106.709 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.621 ' HD2' ' HG2' ' A' ' 79' ' ' GLN . 3.2 tpt180 -94.38 98.93 11.23 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.962 -1.125 . . . . 99.99 107.962 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.5 135.09 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 107.327 -1.36 . . . . 13.6 107.327 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 10.9 m -134.23 123.14 23.79 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.379 -0.6 . . . . 17.22 109.379 173.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 126' ' ' LEU . 64.0 t -114.64 109.94 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.96 0.904 . . . . 14.92 109.321 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 41' ' ' LYS . 13.3 m -103.28 148.43 25.84 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.919 -0.771 . . . . 21.43 108.919 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.91 103.9 5.11 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 106.928 -1.508 . . . . 23.61 106.928 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.62 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 24.0 t -114.03 142.86 45.65 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.895 0.379 . . . . 57.75 111.425 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.4 mt -120.11 83.6 2.08 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.334 1.053 . . . . 99.99 108.583 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.17 -125.29 7.42 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 114.427 -1.26 . . . . 93.1 110.712 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.19 -6.08 57.2 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 99.99 110.434 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' HG3' ' OD1' ' A' ' 27' ' ' ASN . 7.3 tp10 -120.48 106.2 11.58 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.543 0.737 . . . . 99.99 109.45 -165.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 85.0 m -76.6 127.13 32.21 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.462 1.105 . . . . 30.12 113.077 -168.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 27' ' ' ASN . . . -60.13 -60.55 3.64 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.526 1.131 . . . . 22.88 110.56 177.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -156.25 167.72 29.56 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.68 -0.691 . . . . 30.01 111.935 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 63.8 tp -142.03 136.61 30.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.095 1.358 . . . . 14.44 108.046 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.544 ' HG ' ' HD1' ' A' ' 23' ' ' PHE . 59.7 m -141.17 101.62 4.06 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.788 0.835 . . . . 14.43 110.383 -177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 63' ' ' THR . 38.2 tt0 -113.65 125.41 54.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.738 0.815 . . . . 35.14 108.816 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -131.89 111.63 18.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.475 0.71 . . . . 9.47 109.314 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.621 ' HG2' ' HD2' ' A' ' 61' ' ' ARG . 77.9 mt-30 -85.73 81.47 8.59 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.508 -1.223 . . . . 43.33 108.558 172.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -79.18 96.72 5.96 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.935 -1.03 . . . . 15.31 109.562 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.69 143.32 19.86 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 111.314 -0.714 . . . . 20.02 111.314 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.2 121.34 2.18 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.588 -1.005 . . . . 41.88 110.588 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HE1' ' A' ' 17' ' ' TYR . 53.5 mt -81.35 126.09 39.72 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 108.01 -1.107 . . . . 66.87 108.01 171.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -130.32 129.6 43.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.665 0.786 . . . . 77.52 109.177 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -92.42 122.02 34.47 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.676 -0.861 . . . . 99.99 108.676 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 11' ' ' PHE . 9.3 tp -129.89 159.34 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.174 0.59 . . . . 99.99 110.736 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.91 160.14 27.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.555 0.742 . . . . 99.99 111.578 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.78 -35.79 4.61 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 116.01 1.164 . . . . 99.99 116.01 158.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' SD ' ' A' ' 9' ' ' MET . 8.7 mm -126.1 162.72 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-N 118.645 1.222 . . . . 99.99 109.65 -175.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -162.89 -153.84 0.27 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.181 0.993 . . . . 99.99 109.298 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.28 -158.62 51.96 Favored Glycine 0 C--N 1.356 1.682 0 C-N-CA 123.551 0.596 . . . . 99.99 114.109 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -69.5 -28.26 65.9 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.853 0.861 . . . . 99.99 112.596 -171.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HG2' HD11 ' A' ' 141' ' ' LEU . 43.8 mt-30 -61.21 -59.13 5.79 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.912 0.863 . . . . 99.99 109.824 176.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.8 -12.83 57.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.768 -1.56 . . . . 99.99 112.041 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.65 -29.86 64.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.485 0.659 . . . . 99.99 110.989 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -84.87 -20.3 31.02 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 118.042 -0.98 . . . . 99.99 112.753 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 102' ' ' CYS . 10.0 t -50.74 -42.05 57.04 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.414 0.686 . . . . 99.99 112.661 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 46' ' ' THR . 68.8 mt -64.84 -28.7 69.73 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.188 0.595 . . . . 99.99 111.774 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.52 6.0 31.55 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.67 -0.517 . . . . 99.99 113.471 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.593 ' HA ' ' HB2' ' A' ' 133' ' ' PHE . . . -131.98 -75.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.303 0.641 . . . . 95.56 111.825 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.93 -46.98 61.5 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.787 0.835 . . . . 94.48 112.187 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 74.4 m -64.46 -47.68 76.62 Favored Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 123.712 0.805 . . . . 73.2 112.563 -176.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.0 -27.2 50.42 Favored 'Trans proline' 0 C--N 1.39 2.756 0 CA-C-N 121.217 1.47 . . . . 48.9 113.022 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.05 -41.7 77.27 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.013 0.525 . . . . 94.19 111.225 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.7 tt -78.68 -27.63 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.872 0.469 . . . . 55.88 110.617 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD21 ' HA3' ' A' ' 82' ' ' GLY . 40.8 mt -79.28 -17.8 53.96 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 21.71 112.031 175.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.56 -42.52 65.95 Favored Pre-proline 0 CA--C 1.561 1.376 0 CA-C-O 117.834 -1.079 . . . . 15.39 113.163 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -33.54 82.41 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.392 2.062 . . . . 9.95 114.221 171.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -81.89 -39.61 23.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 20.66 111.148 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.08 97.26 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.472 -0.566 . . . . 7.34 109.472 173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -56.09 -50.78 70.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.089 1.356 . . . . 15.45 110.614 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.3 -45.12 84.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.591 1.182 . . . . 46.26 111.116 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 24.1 t -61.91 -49.18 77.21 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.366 0.666 . . . . 4.41 110.653 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.12 -37.99 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.498 1.119 . . . . 7.34 110.906 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.48 HG21 ' HE2' ' C' ' 109' ' ' TYR . 81.1 m -62.43 -43.79 97.97 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.298 1.039 . . . . 7.28 111.061 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.4 t -70.92 -40.48 72.1 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.66 -0.7 . . . . 4.96 110.745 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 45.2 mtp -60.39 -44.92 95.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.168 0.987 . . . . 48.88 111.885 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 126' ' ' LEU . 26.7 m -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.311 0.382 . . . . 26.6 110.52 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -68.66 -29.33 67.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 17.97 110.825 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.484 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 90.1 mtt-85 -76.09 -30.6 58.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.037 0.935 . . . . 8.38 109.859 173.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.95 86.29 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.862 0.726 . . . . 6.18 113.371 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.2 m 66.18 20.43 11.13 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.53 1.132 . . . . 20.1 110.642 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -88.33 151.67 48.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.101 0.96 . . . . 13.71 108.725 167.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' E' ' 130' ' ' ALA . 88.0 Cg_exo -50.99 152.56 10.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 123.595 2.863 . . . . 20.05 114.634 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.3 116.89 4.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.295 0.997 . . . . 39.31 110.169 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 64' ' ' VAL . 15.7 tp -107.38 91.11 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.839 -0.8 . . . . 56.76 108.839 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.89 91.08 4.65 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 106.113 -1.81 . . . . 38.41 106.113 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' E' ' 468' ' ' LEU . 2.4 pt? -73.02 148.48 44.12 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.494 0.553 . . . . 62.97 112.494 -170.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.587 ' H ' HD22 ' E' ' 468' ' ' LEU . . . -58.51 144.16 79.52 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.324 1.45 . . . . 56.46 111.632 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.567 ' HG3' ' HB2' ' E' ' 136' ' ' LYS . 44.4 Cg_endo -77.73 160.54 31.12 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 122.695 2.263 . . . . 77.42 112.908 -169.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.541 HG13 ' HB ' ' E' ' 463' ' ' THR . 20.1 t -131.83 107.09 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 107.605 -1.257 . . . . 99.99 107.605 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -109.52 99.05 8.32 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.435 -0.95 . . . . 99.99 108.435 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.593 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 98.2 m-85 -73.79 -25.41 60.12 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.542 0.337 . . . . 99.99 111.223 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.51 -51.83 65.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.561 1.144 . . . . 99.99 112.349 -171.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.07 87.02 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.583 0.753 . . . . 99.99 111.946 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.49 -30.69 71.49 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.066 0.946 . . . . 99.99 111.085 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -89.13 -39.29 13.7 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 111.973 0.36 . . . . 99.99 111.973 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.546 ' SD ' HD23 ' A' ' 141' ' ' LEU . 11.8 mmt -61.37 -31.69 71.58 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.236 0.614 . . . . 99.99 112.548 -171.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -58.35 -27.64 64.37 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 124.011 0.82 . . . . 99.99 111.897 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -92.65 -52.94 4.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.272 1.029 . . . . 99.99 110.583 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 93' ' ' GLN . 45.2 tp -43.44 -48.17 7.14 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.123 1.369 . . . . 99.99 114.281 -160.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' C' ' 153' ' ' GLN . 24.3 tt0 -148.1 32.0 0.84 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.464 -0.939 . . . . 99.99 108.464 -173.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 77.48 -60.16 0.45 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.835 1.654 . . . . 99.99 110.173 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.98 -86.07 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.052 1.341 . . . . 99.99 109.36 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.99 86.34 0.09 Allowed 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.483 1.113 . . . . 99.99 110.214 -175.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -63.35 163.97 30.23 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 115.816 -0.629 . . . . 99.99 112.445 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.14 139.56 58.78 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.735 0.814 . . . . 99.99 112.676 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.28 82.27 0.05 OUTLIER Glycine 0 C--N 1.335 0.488 0 N-CA-C 108.269 -1.932 . . . . 99.99 108.269 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 68.8 p 59.16 26.22 14.92 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.687 1.595 . . . . 99.99 112.507 -170.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -78.18 -54.57 6.09 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.415 -0.957 . . . . 99.99 108.415 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 59.93 112.5 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.561 1.544 . . . . 99.99 112.56 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -142.95 130.33 21.06 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.998 0.919 . . . . 99.99 111.078 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -161.41 132.68 5.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.51 1.124 . . . . 99.99 108.671 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -80.31 128.77 33.93 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 C-N-CA 124.03 0.932 . . . . 99.99 108.84 -176.713 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.257 -0.275 . . . . 99.99 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -80.73 77.27 7.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.197 0.599 . . . . 99.99 109.765 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' E' ' 31' ' ' ASN . 51.5 mt-10 67.14 144.56 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.409 1.484 . . . . 99.99 111.459 -168.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.485 ' HB3' HE22 ' B' ' 143' ' ' GLN . 72.2 mt-30 60.16 -166.11 0.2 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.96 0.904 . . . . 99.99 111.993 171.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 p30 41.33 88.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 126.118 1.767 . . . . 99.99 114.594 174.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 80.28 -43.39 0.24 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.896 1.279 . . . . 99.99 112.765 169.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -88.92 37.14 0.83 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.135 0.974 . . . . 99.99 110.65 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' B' ' 4' ' ' GLN . 78.4 mt-10 -86.76 66.87 9.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.395 1.078 . . . . 99.99 108.963 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.63 ' SD ' HG13 ' B' ' 89' ' ' ILE . 7.2 tpt 66.42 168.09 0.22 Allowed 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 114.183 -1.371 . . . . 99.99 112.284 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.5 t -147.63 144.79 28.65 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.302 1.041 . . . . 99.99 108.449 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.552 ' HE1' ' SG ' ' B' ' 102' ' ' CYS . 69.7 t80 -143.55 115.92 8.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.496 -0.557 . . . . 93.55 109.496 -174.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -123.97 123.27 40.01 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.828 -1.175 . . . . 99.99 107.828 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.452 HD12 ' H ' ' B' ' 13' ' ' ILE . 3.3 mp -81.9 102.05 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 107.17 -1.419 . . . . 40.88 107.17 173.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -86.72 -39.0 16.42 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 123.325 0.391 . . . . 85.25 110.117 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.471 HH22 ' HB ' ' E' ' 129' ' ' THR . 32.3 ttt180 -167.01 141.5 3.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.213 0.605 . . . . 95.33 110.333 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 106' ' ' LEU . 31.7 mt -114.05 138.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 107.605 -1.257 . . . . 13.6 107.605 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -169.89 156.94 6.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.516 0.51 . . . . 23.1 111.687 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.674 HG21 HD11 ' B' ' 21' ' ' ILE . 62.4 m -84.9 129.68 34.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.48 0.712 . . . . 6.51 109.103 172.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.44 -41.89 7.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.545 0.738 . . . . 19.94 110.817 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.84 139.9 42.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.748 0.419 . . . . 37.8 111.22 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.674 HD11 HG21 ' B' ' 18' ' ' THR . 48.5 mm -127.11 143.67 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.779 -1.193 . . . . 5.14 107.779 166.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 47.9 t -146.4 109.92 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.173 -1.418 . . . . 19.25 107.173 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 76.7 t80 -121.99 140.52 52.37 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.908 -0.775 . . . . 9.84 108.908 174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.32 144.04 36.14 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.133 1.373 . . . . 50.65 107.78 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' B' ' 28' ' ' ALA . . . -149.87 80.29 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.526 -0.916 . . . . 18.09 108.526 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.17 -19.76 22.3 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.138 2.559 . . . . 31.77 112.63 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -126.11 30.28 5.67 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.881 0.872 . . . . 49.39 109.935 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' B' ' 25' ' ' ALA . . . -48.41 -54.31 27.12 Favored Pre-proline 0 CA--C 1.557 1.214 0 C-N-CA 124.231 1.012 . . . . 51.5 112.081 171.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 58.3 Cg_endo -67.72 -8.28 21.93 Favored 'Trans proline' 0 C--N 1.397 3.091 0 C-N-CA 122.003 1.802 . . . . 70.98 113.991 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' B' ' 33' ' ' GLN . 53.1 m170 -97.56 -6.94 32.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.985 0.735 . . . . 99.99 112.985 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -52.31 -32.83 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 113.62 0.97 . . . . 99.99 113.62 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -72.76 -30.77 64.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 112.202 0.445 . . . . 99.99 112.202 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 30' ' ' HIS . 3.0 pt20 -74.5 -29.69 61.51 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.647 0.26 . . . . 99.99 110.776 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' OE1' ' B' ' 33' ' ' GLN . 34.2 mmtp -100.98 82.86 2.43 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.259 0.624 . . . . 98.87 109.568 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -93.57 89.65 6.34 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.775 0.43 . . . . 99.99 110.444 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -168.93 177.7 4.85 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.122 0.969 . . . . 99.99 110.04 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.23 112.18 13.68 Favored Pre-proline 0 C--O 1.243 0.759 0 CA-C-N 115.277 -0.874 . . . . 99.99 108.87 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 152.51 79.74 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.003 1.802 . . . . 63.52 111.577 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.89 103.69 2.29 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.213 -1.032 . . . . 99.99 108.213 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -106.14 134.57 47.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.978 -1.01 . . . . 72.1 108.973 -167.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.776 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 10.3 mmpt? -129.15 139.99 51.71 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.984 0.513 . . . . 99.99 111.723 -164.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.454 HD21 ' H ' ' E' ' 7' ' ' ALA . 27.4 mt -86.44 131.32 34.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.52 1.128 . . . . 96.73 110.602 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.762 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 7.1 m-20 -139.05 111.59 7.63 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.677 -1.231 . . . . 92.63 107.677 172.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.83 129.04 51.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.005 -0.739 . . . . 67.27 109.005 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -124.63 154.38 40.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.222 1.009 . . . . 58.71 108.781 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -127.15 142.03 51.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.481 0.713 . . . . 66.97 110.725 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.02 119.56 6.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 35.64 108.847 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.3 m -133.8 161.8 33.73 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.264 0.625 . . . . 74.75 110.011 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.0 p -159.22 154.74 25.84 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.082 0.953 . . . . 43.74 109.346 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -92.67 133.86 35.59 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.903 -0.406 . . . . 89.61 109.903 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 71.0 mt -99.96 -51.08 3.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.53 0.732 . . . . 71.01 109.939 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.6 -165.02 2.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.907 0.883 . . . . 85.91 110.441 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.42 118.39 12.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.992 -1.004 . . . . 99.99 110.409 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.85 -2.68 0.27 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.4 1.48 . . . . 99.99 113.238 -172.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 65.8 t -104.38 115.96 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.379 -0.971 . . . . 76.71 108.379 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.93 148.38 50.92 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.133 -1.062 . . . . 98.07 108.133 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -99.87 121.5 41.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 107.32 -1.363 . . . . 46.84 107.32 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.566 HG21 HD23 ' B' ' 98' ' ' LEU . 67.1 t -125.79 131.67 71.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.942 0.897 . . . . 57.34 109.918 -169.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 t -125.26 146.59 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.182 0.993 . . . . 21.57 109.81 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 tt -128.42 111.85 13.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 106.421 -1.696 . . . . 62.33 106.421 166.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 2.6 ttt180 -87.91 127.85 35.36 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.479 1.112 . . . . 95.32 110.364 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.78 106.94 21.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.088 -1.079 . . . . 14.84 108.088 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.762 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 22.3 m -105.15 134.73 47.76 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.036 0.934 . . . . 28.15 108.758 175.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.03 111.08 19.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 124.159 0.984 . . . . 18.14 109.126 -171.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 93.1 m -90.69 143.44 26.73 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.665 -1.152 . . . . 24.35 108.731 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.65 138.1 20.73 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.56 -0.533 . . . . 26.44 109.56 174.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 64.7 m -141.04 128.76 21.57 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.713 0.633 . . . . 56.64 110.356 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 34.8 mt -97.12 102.26 14.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.201 1.001 . . . . 62.67 109.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 -110.85 3.33 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.563 -0.744 . . . . 81.37 111.38 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.63 1.64 12.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.116 0.967 . . . . 99.99 110.806 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -122.18 144.56 48.88 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.951 0.9 . . . . 99.99 108.847 -175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.5 m -67.8 128.71 37.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.129 0.49 . . . . 33.32 111.113 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.509 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -84.33 -66.13 0.93 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.701 -1.222 . . . . 25.99 107.701 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.63 143.8 23.16 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.884 -1.053 . . . . 18.76 109.59 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.54 110.94 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 106.27 -1.752 . . . . 16.93 106.27 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 48.8 t -121.02 137.02 54.85 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.771 -0.455 . . . . 12.76 109.771 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 33.7 tt0 -148.73 134.82 19.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.846 0.859 . . . . 30.38 109.208 -168.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.0 140.55 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.406 0.682 . . . . 8.91 109.839 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 17.1 mt-30 -105.36 105.2 15.13 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 106.942 -1.503 . . . . 33.15 106.942 165.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 106' ' ' LEU . 8.3 tp-100 -93.64 100.72 12.92 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.261 -1.385 . . . . 11.26 107.261 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 158.01 26.96 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 115.31 -0.859 . . . . 11.78 112.438 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -149.11 127.49 2.5 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.542 -1.023 . . . . 23.01 110.542 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -84.21 127.38 39.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 107.484 -1.302 . . . . 39.34 107.484 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.712 ' HB2' HD12 ' B' ' 86' ' ' ILE . 20.8 m-85 -138.37 163.07 32.79 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.348 -0.612 . . . . 63.88 109.348 176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 55' ' ' VAL . 33.3 p -103.96 92.22 4.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.077 -1.082 . . . . 82.93 108.077 167.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' B' ' 84' ' ' PHE . 0.2 OUTLIER -129.27 114.05 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.626 0.77 . . . . 98.2 111.361 -172.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.44 174.37 15.21 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.53 1.132 . . . . 99.99 109.682 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.55 -51.42 0.76 Allowed Glycine 0 N--CA 1.481 1.668 0 O-C-N 122.456 -0.152 . . . . 99.99 113.132 171.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.63 HG13 ' SD ' ' B' ' 9' ' ' MET . 1.2 pp -67.49 170.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 123.386 0.674 . . . . 99.99 112.559 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -163.37 158.71 21.56 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.118 0.886 . . . . 99.99 110.052 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.02 -134.39 15.87 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 116.142 -0.481 . . . . 99.99 112.918 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 34.2 m -67.78 -25.9 65.83 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.908 0.883 . . . . 99.99 111.053 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -38.35 80.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.768 0.827 . . . . 99.99 109.636 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.562 ' SD ' ' O ' ' E' ' 20' ' ' LYS . 54.5 ttm -74.12 -39.91 63.02 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.84 -0.618 . . . . 99.99 110.474 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.69 81.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.883 0.873 . . . . 99.99 111.219 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' B' ' 137' ' ' PHE . 19.8 t-80 -67.35 -47.66 69.76 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.913 0.485 . . . . 99.99 110.387 172.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' B' ' 98' ' ' LEU . 42.0 t -60.05 -53.79 53.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.864 -170.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.566 HD23 HG21 ' B' ' 58' ' ' VAL . 4.6 mp -97.53 -14.07 21.29 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.565 0.58 . . . . 71.23 112.565 -173.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.79 -23.89 21.98 Favored Glycine 0 C--N 1.342 0.884 0 O-C-N 123.484 0.49 . . . . 59.87 112.934 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' B' ' 134' ' ' ASP . . . -124.74 -53.2 1.67 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.296 0.638 . . . . 71.19 111.735 -174.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -76.47 -44.13 36.83 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.621 0.768 . . . . 99.99 111.684 -169.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.552 ' SG ' ' HE1' ' B' ' 11' ' ' PHE . 65.0 m -68.63 -53.38 16.45 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 123.561 0.744 . . . . 50.37 111.786 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' B' ' 107' ' ' PHE . 73.0 Cg_endo -70.83 -22.8 26.67 Favored 'Trans proline' 0 C--N 1.392 2.828 0 C-N-CA 121.667 1.578 . . . . 36.29 113.012 -176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 100' ' ' ALA . 58.6 t30 -53.36 -35.19 59.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.941 0.896 . . . . 87.59 112.044 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.02 -33.76 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 124.186 0.994 . . . . 37.19 110.568 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.472 HD22 HG23 ' B' ' 16' ' ' ILE . 19.7 mt -79.34 -26.24 42.16 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.224 1.01 . . . . 13.07 110.947 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 103' ' ' PRO . 1.5 t80 -63.27 -41.53 69.2 Favored Pre-proline 0 CA--C 1.56 1.349 0 C-N-CA 125.555 1.542 . . . . 99.99 114.206 -162.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.14 -44.44 42.63 Favored 'Trans proline' 0 C--N 1.389 2.669 0 C-N-CA 122.5 2.133 . . . . 10.37 113.16 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . 0.532 ' HE2' ' HA ' ' D' ' 112' ' ' GLU . 8.9 m-30 -71.92 -34.3 68.96 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.575 -0.739 . . . . 12.29 110.87 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.78 83.44 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.926 0.49 . . . . 8.75 110.162 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 128' ' ' LEU . 12.4 ttp-105 -62.19 -53.53 53.98 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.052 0.845 . . . . 59.14 110.849 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.95 -33.63 75.76 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.61 0.764 . . . . 51.9 110.445 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 117' ' ' MET . 5.3 t -69.69 -36.43 75.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.591 0.356 . . . . 13.3 110.859 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.542 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 67.3 mt -64.74 -54.4 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.152 0.581 . . . . 9.86 109.834 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . 0.472 HG23 ' H ' ' B' ' 126' ' ' LEU . 3.6 m -63.44 -25.67 68.38 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.923 0.889 . . . . 13.13 111.348 -175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.97 -50.14 63.23 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.434 0.694 . . . . 8.02 110.319 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.527 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 16.4 mmt -67.93 -34.02 75.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.042 0.537 . . . . 26.78 110.739 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.5 t -61.05 -45.86 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.818 0.847 . . . . 13.3 109.958 172.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -66.53 -30.5 70.83 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.25 -0.887 . . . . 29.79 111.397 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 85.6 mtt-85 -71.44 -36.08 71.13 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.998 0.519 . . . . 11.55 110.492 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.73 -3.06 66.21 Favored Glycine 0 C--N 1.354 1.53 0 O-C-N 123.592 0.558 . . . . 16.97 112.514 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.0 p 61.91 49.25 4.79 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.717 2.007 . . . . 23.15 111.287 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -103.21 163.21 17.94 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 113.178 -1.828 . . . . 23.84 109.489 172.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.01 155.18 40.35 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.597 2.198 . . . . 29.89 113.254 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.54 ' HB3' ' HG2' ' C' ' 125' ' ' GLN . 4.6 pm0 -55.6 148.82 15.08 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.89 1.276 . . . . 99.99 112.385 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.472 ' H ' HG23 ' B' ' 115' ' ' THR . 1.3 tm? -145.98 86.27 1.71 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.351 -1.352 . . . . 72.13 107.351 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.58 120.86 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.4 -0.818 . . . . 73.04 109.299 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' B' ' 111' ' ' ARG . 8.0 tt -63.21 143.34 57.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.385 1.074 . . . . 90.81 110.83 177.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.573 ' HB1' HG22 ' E' ' 306' ' ' VAL . . . -68.45 131.29 91.72 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 124.867 1.267 . . . . 43.15 111.898 -176.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.33 99.66 0.25 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.635 2.224 . . . . 61.27 112.093 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.49 HG11 ' H ' ' E' ' 8' ' ' LEU . 2.1 p -125.83 109.93 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.022 0.929 . . . . 99.57 109.574 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -111.62 77.3 1.03 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.892 0.853 . . . . 99.99 109.38 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -74.96 -4.39 37.91 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.586 -0.733 . . . . 99.99 110.942 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.459 ' HA ' ' HB1' ' B' ' 100' ' ' ALA . 32.9 t70 -46.86 -51.6 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.705 1.202 . . . . 99.99 110.912 173.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.37 -30.6 60.64 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.578 1.151 . . . . 99.99 113.121 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 65.9 tp -60.78 -47.57 85.71 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.112 0.965 . . . . 99.99 111.32 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.447 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 68.3 m-85 -94.12 -14.93 25.18 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.188 0.595 . . . . 99.99 111.853 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -31.26 68.47 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.461 0.705 . . . . 99.99 110.777 -172.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.13 -10.48 59.83 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.009 0.523 . . . . 99.99 111.797 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -79.28 -25.03 42.54 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.542 0.737 . . . . 99.99 110.426 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.2 mt -104.94 4.65 32.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.701 0.8 . . . . 99.99 112.605 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.662 HE22 HD13 ' E' ' 68' ' ' ILE . 20.4 mm-40 -81.56 78.57 8.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.061 0.544 . . . . 99.99 110.472 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . 0.485 HE22 ' HB3' ' B' ' 4' ' ' GLN . 26.3 tt0 -126.68 -94.46 0.46 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 122.625 0.37 . . . . 99.99 110.637 -172.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.06 88.88 3.12 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.221 -0.659 . . . . 99.99 109.221 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.37 45.1 1.22 Allowed 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.114 -0.948 . . . . 99.99 110.421 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 56.59 39.76 86.08 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 115.429 -0.805 . . . . 99.99 113.24 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 44.34 17.19 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 126.37 1.868 . . . . 99.99 114.8 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . 0.739 ' HA3' ' HB2' ' E' ' 44' ' ' ALA . . . 63.26 53.14 41.79 Favored Glycine 0 C--N 1.344 0.999 0 N-CA-C 112.08 -0.408 . . . . 99.99 112.08 -169.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 24.7 m -141.34 91.63 2.4 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.308 -1.367 . . . . 99.99 107.308 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -80.69 -66.88 0.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 50.16 -82.51 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.034 1.733 . . . . 99.99 113.729 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -87.88 1.97 52.66 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.334 0.653 . . . . 99.99 111.675 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.47 90.8 3.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -111.14 151.66 27.9 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.861 0.864 . . . . 99.99 109.434 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 99.99 108.74 179.541 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.523 ' HG2' ' H ' ' C' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 119.237 -0.411 . . . . 99.99 110.024 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' C' ' 1' ' ' MET . 5.5 m -110.34 97.98 7.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.315 -1.365 . . . . 99.99 107.315 174.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' C' ' 151' ' ' GLU . 0.7 OUTLIER -85.6 102.61 13.7 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.584 0.754 . . . . 99.99 110.426 -174.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 70.36 142.4 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.557 1.543 . . . . 99.99 112.414 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.11 -34.1 72.68 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.517 0.727 . . . . 99.99 112.031 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 54.84 -168.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.62 0.768 . . . . 99.99 112.433 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 39.9 p -119.15 -54.79 2.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.793 -0.818 . . . . 99.99 108.793 170.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -169.2 -42.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.068 1.347 . . . . 99.99 108.914 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 45.3 ttm 63.87 111.93 0.03 OUTLIER 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.063 1.745 . . . . 99.99 112.122 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 56.3 m -132.56 97.97 4.22 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.688 0.795 . . . . 99.99 109.896 168.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.412 ' HB2' HG22 ' C' ' 86' ' ' ILE . 28.7 p90 -126.7 148.78 49.83 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 170.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -142.31 130.91 22.57 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.753 0.421 . . . . 99.99 110.825 -172.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.88 114.13 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.372 -0.973 . . . . 56.3 108.372 172.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -79.24 -50.49 10.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.578 -0.526 . . . . 93.16 109.578 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.91 159.23 9.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.097 0.959 . . . . 99.99 110.762 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 24.8 mt -117.07 147.71 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 106.899 -1.519 . . . . 11.74 106.899 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -178.44 165.31 1.76 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.103 0.561 . . . . 19.28 110.361 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.476 HG21 ' SG ' ' C' ' 113' ' ' CYS . 60.5 p -89.6 120.87 31.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.275 0.63 . . . . 6.91 109.673 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -80.94 -45.61 16.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.225 -1.028 . . . . 21.95 108.225 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 13.0 t70 -132.55 135.21 45.8 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 113.874 -1.512 . . . . 50.62 109.718 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -135.93 143.13 37.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 106.14 -1.8 . . . . 5.12 106.14 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 42.7 t -159.43 154.74 25.41 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.008 0.908 . . . . 9.28 110.668 -175.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' C' ' 76' ' ' CYS . 74.9 t80 -151.42 137.81 18.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.47 -1.678 . . . . 8.82 106.47 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 45.0 mt-10 -132.29 146.32 51.91 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.573 0.624 . . . . 30.58 109.993 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.19 82.84 6.84 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.786 -1.561 . . . . 12.04 106.786 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -64.12 -26.31 65.37 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.67 2.247 . . . . 30.41 111.401 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.59 29.2 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.653 1.181 . . . . 61.38 109.863 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.581 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -58.62 -45.47 99.65 Favored Pre-proline 0 CA--C 1.563 1.468 0 N-CA-C 114.609 1.337 . . . . 26.66 114.609 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.84 -37.76 2.0 Allowed 'Trans proline' 0 C--N 1.387 2.572 0 CA-C-N 121.661 1.629 . . . . 35.22 111.65 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.12 -21.91 64.91 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.669 1.187 . . . . 48.75 113.422 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.555 HG21 ' HE1' ' C' ' 123' ' ' PHE . 13.0 p -56.75 -34.44 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 122.779 0.432 . . . . 55.24 111.932 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.88 -25.68 63.56 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.342 1.057 . . . . 99.99 113.471 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -115.48 20.16 14.94 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.682 0.623 . . . . 97.11 112.682 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.463 ' HD3' HD21 ' C' ' 68' ' ' LEU . 0.0 OUTLIER -102.11 174.28 6.0 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.036 0.834 . . . . 88.6 111.858 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.34 131.93 35.04 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.12 0.968 . . . . 99.99 109.747 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.503 ' HA ' ' HD2' ' E' ' 297' ' ' TYR . 12.0 m95 -86.19 64.47 8.58 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 121.073 0.463 . . . . 99.99 110.746 -176.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.587 ' HA ' ' HE3' ' E' ' 294' ' ' LYS . 23.2 mt-30 -152.95 70.95 7.15 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 124.275 1.03 . . . . 99.99 109.162 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.08 152.56 10.99 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 68.93 112.043 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -85.51 95.31 9.26 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 106.909 -1.515 . . . . 99.99 106.909 168.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -78.97 123.55 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.008 -0.996 . . . . 87.15 109.193 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -135.12 144.14 46.95 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.743 1.217 . . . . 99.99 109.066 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' E' ' 288' ' ' VAL . 79.2 mt -106.87 139.11 41.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.008 0.523 . . . . 94.05 109.742 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.758 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 3.7 m-20 -119.93 142.97 48.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.457 1.103 . . . . 99.99 108.437 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.473 ' H ' ' HA3' ' E' ' 436' ' ' GLY . 10.4 tt -136.08 124.67 23.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.627 -1.249 . . . . 71.87 107.627 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' C' ' 61' ' ' ARG . 45.5 m-20 -117.14 157.13 26.46 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.266 -1.013 . . . . 92.17 108.266 168.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . 0.53 HG21 ' HB3' ' E' ' 282' ' ' ALA . 30.4 p -115.5 143.74 44.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.194 0.598 . . . . 62.96 110.328 -176.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -145.88 150.61 36.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.43 0.692 . . . . 35.73 110.29 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 66.5 m -153.95 152.34 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.951 0.9 . . . . 56.22 109.818 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -147.03 151.53 37.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.157 0.583 . . . . 43.42 110.087 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -91.99 118.11 30.46 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 171.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.644 HD11 HD12 ' C' ' 83' ' ' ILE . 59.0 mt -91.13 -39.16 12.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.06 0.457 . . . . 61.44 109.817 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.45 -171.82 2.92 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.906 -1.043 . . . . 94.06 110.616 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' E' ' 274' ' ' GLN . 7.2 p-10 -65.03 119.67 11.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 113.972 -1.467 . . . . 99.99 109.565 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.544 ' HA ' ' HG3' ' E' ' 276' ' ' PRO . 0.9 OUTLIER 63.35 13.12 6.79 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.282 1.033 . . . . 99.99 112.687 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.08 117.07 52.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 N-CA-C 108.73 -0.841 . . . . 81.86 108.73 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -125.01 147.99 48.68 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.643 0.777 . . . . 99.99 108.954 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.402 ' HB2' HD11 ' C' ' 51' ' ' LEU . 39.6 tt0 -101.37 121.8 42.58 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.4 1.08 . . . . 35.21 108.841 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -96.2 113.51 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.383 -1.34 . . . . 29.6 107.383 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 92.9 t -109.35 134.74 50.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 107.744 -1.206 . . . . 20.9 107.744 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' C' ' 103' ' ' PRO . 23.4 tp -125.88 121.08 32.18 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.188 -1.041 . . . . 69.19 108.188 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' C' ' 45' ' ' ASP . 24.7 ttm180 -81.25 141.93 33.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.318 174.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.482 ' HB ' HD11 ' C' ' 114' ' ' ILE . 4.0 t -132.23 108.91 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 107.727 -1.212 . . . . 14.53 107.727 170.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.758 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 6.9 m -107.17 137.36 45.37 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.388 -1.338 . . . . 20.42 107.388 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 114' ' ' ILE . 93.0 t -122.82 128.0 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.331 -0.989 . . . . 17.7 108.331 175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -121.22 147.01 46.2 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.017 -0.734 . . . . 29.53 109.017 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.8 115.39 12.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.177 -1.416 . . . . 32.22 107.177 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -148.41 125.86 11.65 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.747 0.419 . . . . 59.66 110.149 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.486 HD23 ' H ' ' C' ' 68' ' ' LEU . 0.2 OUTLIER -87.49 58.05 4.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.113 0.965 . . . . 97.29 108.855 176.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.72 -119.81 6.65 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 109.731 -1.348 . . . . 76.35 109.731 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -84.76 -31.37 24.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.455 -0.943 . . . . 99.99 108.455 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -69.47 103.64 2.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.563 -1.199 . . . . 77.02 109.66 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -87.96 131.81 34.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.775 0.43 . . . . 37.0 110.781 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.06 -60.46 2.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.41 1.084 . . . . 34.06 109.744 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -160.85 176.8 11.05 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.487 0.66 . . . . 39.96 111.953 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 2.5 tm? -139.62 148.06 41.94 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.718 1.607 . . . . 16.54 107.17 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.424 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.5 t -147.56 153.15 39.09 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.862 -1.162 . . . . 10.97 107.862 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 0.6 OUTLIER -158.56 139.42 12.89 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.287 -0.634 . . . . 36.61 109.287 -176.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -149.33 111.69 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.162 0.985 . . . . 9.25 108.528 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.794 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 44.2 mt-30 -96.68 90.2 5.22 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 108.578 -0.897 . . . . 25.23 108.578 170.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.05 127.06 31.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.406 -1.27 . . . . 10.64 108.839 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.25 150.56 19.43 Favored Glycine 0 CA--C 1.523 0.591 0 O-C-N 123.644 0.59 . . . . 10.6 112.006 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.07 120.73 1.5 Allowed Glycine 0 CA--C 1.51 -0.265 0 N-CA-C 110.335 -1.106 . . . . 19.17 110.335 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.644 HD12 HD11 ' C' ' 51' ' ' LEU . 15.2 mm -91.1 122.09 42.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 108.825 -0.806 . . . . 30.38 108.825 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -135.63 116.45 14.07 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.241 -1.022 . . . . 49.62 108.241 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -81.37 112.9 19.08 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.132 -1.062 . . . . 92.15 108.132 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.412 HG22 ' HB2' ' C' ' 11' ' ' PHE . 2.8 pp -114.42 138.42 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 122.849 0.459 . . . . 99.99 110.628 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.73 143.08 20.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.004 0.922 . . . . 99.99 109.275 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.96 24.58 68.61 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 115.671 1.029 . . . . 99.99 115.671 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.418 ' O ' HD12 ' C' ' 89' ' ' ILE . 2.6 pp -82.54 126.09 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 117.654 0.727 . . . . 99.99 109.884 175.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.9 148.74 31.15 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 122.035 -0.416 . . . . 99.99 110.439 -165.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.09 -153.95 26.0 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.753 -0.658 . . . . 99.99 112.795 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -65.42 -19.52 65.98 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.163 0.585 . . . . 99.99 110.557 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' C' ' 96' ' ' HIS . 1.7 mp0 -60.73 -27.96 68.32 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.062 1.345 . . . . 99.99 111.469 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -59.03 4.45 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.774 0.83 . . . . 99.99 109.925 176.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.41 56.03 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.71 0.804 . . . . 99.99 111.811 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.668 ' HB3' ' HA ' ' C' ' 93' ' ' GLN . 79.2 t60 -67.37 -39.26 85.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.643 0.777 . . . . 99.99 111.749 -177.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 25.8 p -82.91 -44.62 15.16 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.808 0.337 . . . . 99.99 110.106 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.32 -54.71 5.68 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.393 0.677 . . . . 99.99 110.919 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.73 9.43 60.32 Favored Glycine 0 N--CA 1.473 1.144 0 N-CA-C 114.542 0.577 . . . . 68.51 114.542 -170.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' C' ' 134' ' ' ASP . . . -138.21 -63.57 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.29 0.545 . . . . 56.52 111.296 -175.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 21.8 t80 -65.03 -53.7 41.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.617 0.767 . . . . 99.99 111.287 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 94.0 m -58.65 -47.83 98.01 Favored Pre-proline 0 CA--C 1.556 1.175 0 CA-C-O 118.24 -0.886 . . . . 56.59 111.518 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.567 ' HB3' HD22 ' C' ' 60' ' ' LEU . 85.6 Cg_exo -53.15 -37.62 80.04 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.852 2.368 . . . . 39.21 114.348 167.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.83 -29.39 63.19 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 113.223 0.823 . . . . 71.72 113.223 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.31 -38.83 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.728 0.775 . . . . 8.71 109.867 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.83 -30.95 69.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.054 -1.43 . . . . 37.06 110.708 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.24 -49.55 79.34 Favored Pre-proline 0 CA--C 1.564 1.501 0 N-CA-C 114.943 1.46 . . . . 16.74 114.943 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.91 -34.62 77.0 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 122.446 2.098 . . . . 9.85 113.62 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.48 ' HE2' HG21 ' A' ' 115' ' ' THR . 91.7 m-85 -69.6 -41.06 76.23 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.358 -0.837 . . . . 5.88 111.28 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.94 80.37 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.011 0.524 . . . . 7.64 110.697 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 32.4 ttt180 -55.88 -45.26 78.63 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.546 1.538 . . . . 20.64 111.798 -178.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 0.0 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 110.075 -0.342 . . . . 38.86 110.075 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' C' ' 18' ' ' THR . 43.1 m -54.13 -37.17 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.189 0.596 . . . . 13.9 112.275 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.495 HG21 HG21 ' C' ' 64' ' ' VAL . 59.4 mt -66.98 -55.57 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.391 0.676 . . . . 8.58 110.949 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 5.7 m -67.34 -30.42 70.23 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 120.83 0.347 . . . . 8.54 111.454 -173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 41.9 t -65.03 -46.38 81.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.674 0.79 . . . . 6.56 109.188 174.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.741 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -61.45 -35.89 78.85 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.381 1.072 . . . . 5.22 111.603 177.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.72 -40.77 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.121 0.569 . . . . 28.53 109.908 174.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 34.0 t -74.67 -26.07 59.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.519 0.728 . . . . 17.6 112.013 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.5 mtt-85 -73.09 -42.39 63.04 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.007 -0.738 . . . . 7.72 109.007 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -73.46 -6.45 70.57 Favored Glycine 0 C--N 1.358 1.783 0 O-C-N 123.799 0.687 . . . . 10.8 112.665 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p 67.32 23.07 9.38 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.828 2.051 . . . . 15.17 112.721 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' C' ' 31' ' ' VAL . 95.8 m-85 -82.75 150.16 61.78 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 115.485 -0.78 . . . . 24.81 109.531 174.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.467 ' HA ' ' OE1' ' B' ' 125' ' ' GLN . 86.0 Cg_exo -46.58 132.84 16.51 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.574 2.849 . . . . 29.42 113.954 175.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.54 ' HG2' ' HB3' ' B' ' 125' ' ' GLN . 17.4 mm-40 -61.79 140.18 58.26 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.814 1.042 . . . . 72.03 113.814 -175.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.459 HD21 ' HH2' ' E' ' 290' ' ' TRP . 3.1 tm? -136.99 109.56 7.45 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 107.077 -1.453 . . . . 59.85 107.077 173.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -90.61 115.24 27.57 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.229 -1.026 . . . . 41.85 108.229 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.592 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 27.7 tp -66.97 137.16 56.31 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.36 1.037 . . . . 38.57 111.827 -169.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.47 145.16 78.91 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.391 1.076 . . . . 24.62 112.177 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.71 102.21 0.35 Allowed 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 123.488 2.792 . . . . 24.48 112.235 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 57.1 t -100.75 110.44 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 109.427 -0.583 . . . . 68.05 109.427 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.77 106.99 18.84 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.71 0.804 . . . . 99.99 109.451 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.67 -21.24 63.54 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.057 -0.974 . . . . 99.99 111.758 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.415 ' HB2' ' HB1' ' C' ' 100' ' ' ALA . 33.7 t70 -69.38 -23.14 63.7 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.424 0.527 . . . . 99.99 112.424 -176.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.5 80.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.269 0.627 . . . . 99.99 111.885 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 pp -72.73 -27.34 61.99 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 116.032 -0.531 . . . . 99.99 110.879 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -80.02 -41.83 25.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.14 0.576 . . . . 99.99 110.893 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 27.6 ttt -78.23 -32.82 49.97 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.979 0.911 . . . . 99.99 112.906 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.51 -32.73 74.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 112.532 0.567 . . . . 99.99 112.532 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -25.08 -77.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 126.942 2.097 . . . . 99.99 113.397 -165.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.94 79.24 1.89 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 105.115 -2.179 . . . . 99.99 105.115 175.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -72.01 -19.44 61.86 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 115.411 -0.813 . . . . 99.99 111.045 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.01 132.65 47.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.538 0.735 . . . . 99.99 110.763 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 62.52 36.32 14.02 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 124.17 0.988 . . . . 99.99 110.618 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.681 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . . . -71.87 91.36 1.17 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.974 -0.557 . . . . 99.99 109.653 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.27 -54.46 6.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.0 -1.0 . . . . 99.99 113.44 -172.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -88.36 71.91 9.0 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.145 0.578 . . . . 99.99 110.435 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 52.3 -85.3 0.01 OUTLIER Glycine 0 C--N 1.354 1.548 0 CA-C-N 114.349 -1.296 . . . . 99.99 116.156 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 34.9 m 69.73 101.39 0.06 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.157 1.783 . . . . 99.99 111.854 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.91 74.59 0.43 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.398 1.479 . . . . 99.99 113.379 172.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' C' ' 3' ' ' GLU . 25.4 mt-10 40.9 71.74 0.18 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.016 1.726 . . . . 99.99 112.994 178.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -139.8 135.6 33.2 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.085 -0.962 . . . . 99.99 109.369 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.455 ' HB3' HE21 ' A' ' 142' ' ' GLN . 53.8 tt0 -142.17 -62.77 0.44 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.45 -1.315 . . . . 99.99 107.45 175.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.15 105.2 1.51 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.011 -1.477 . . . . 99.99 107.011 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.481 0 O-C-N 124.569 1.168 . . . . 99.99 109.094 -160.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.475 ' SD ' ' N ' ' D' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.282 -1.007 . . . . 99.99 108.282 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t 57.91 62.87 1.94 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.39 1.076 . . . . 99.99 110.572 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.4 -43.38 90.8 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.606 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -134.2 174.92 9.98 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.753 -1.112 . . . . 99.99 109.388 173.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -132.99 -157.78 0.84 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.494 1.118 . . . . 99.99 108.623 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.92 -19.18 64.92 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.33 0.652 . . . . 99.99 111.767 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.7 m -75.66 85.83 2.7 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.459 -0.941 . . . . 99.99 108.459 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -92.99 147.81 22.52 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.845 -1.07 . . . . 99.99 109.6 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.614 ' SD ' HG23 ' D' ' 89' ' ' ILE . 9.4 tpt -33.31 124.68 0.4 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.895 1.278 . . . . 99.99 112.64 168.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -116.69 119.88 36.88 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.116 1.366 . . . . 99.99 107.596 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -131.59 109.15 10.03 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.557 -0.905 . . . . 76.43 108.557 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 131.18 20.63 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.471 -0.937 . . . . 99.99 108.471 168.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -88.23 131.99 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 107.516 -1.29 . . . . 41.34 107.516 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -79.88 -42.93 23.18 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.057 -0.349 . . . . 79.46 110.057 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.472 HH22 ' HB3' ' E' ' 302' ' ' ASP . 37.6 ttt85 -162.26 132.52 4.75 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.603 -168.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.528 ' H ' HD13 ' D' ' 16' ' ' ILE . 0.2 OUTLIER -112.68 149.05 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 107.761 -1.199 . . . . 53.22 107.761 167.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.581 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 46.4 p90 -171.43 152.4 3.26 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.963 0.505 . . . . 19.87 111.012 -172.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 75.4 p -82.1 112.74 19.43 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.343 -0.614 . . . . 8.43 109.343 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.536 ' HZ1' ' HB3' ' C' ' 28' ' ' ALA . 19.1 mtpp -73.59 -29.24 62.28 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.61 -0.723 . . . . 36.9 109.781 176.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' D' ' 79' ' ' GLN . 2.6 t70 -158.53 153.71 25.49 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.574 1.15 . . . . 36.68 109.268 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.741 HG21 ' HE2' ' C' ' 117' ' ' MET . 90.3 mt -145.36 148.85 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.777 1.631 . . . . 4.02 107.524 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.491 ' HB3' ' HB2' ' D' ' 77' ' ' GLU . 44.5 t -154.51 144.95 22.16 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.713 1.205 . . . . 7.64 108.65 175.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 91.0 t80 -150.81 111.39 4.23 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 105.607 -1.998 . . . . 5.08 105.607 171.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.5 109.85 15.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.429 -0.582 . . . . 28.73 109.429 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -111.23 87.28 7.24 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 107.727 -1.212 . . . . 7.19 107.727 171.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -71.27 -39.35 3.95 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.408 2.072 . . . . 13.41 111.281 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -99.03 17.48 19.64 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.779 1.232 . . . . 11.97 109.893 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -43.93 -59.84 3.25 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 125.453 1.501 . . . . 12.01 113.852 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.35 -16.47 27.82 Favored 'Trans proline' 0 C--N 1.387 2.578 0 CA-C-N 121.664 1.63 . . . . 20.55 113.12 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -79.23 -48.27 14.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.013 1.325 . . . . 22.26 109.999 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' D' ' 73' ' ' ALA . 31.5 m -83.78 2.04 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.399 0.888 . . . . 34.6 113.399 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -69.16 -13.29 62.34 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 112.304 0.483 . . . . 32.96 112.304 172.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' E' ' 263' ' ' ALA . 4.4 pt20 -77.31 -14.02 59.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.129 0.572 . . . . 99.99 111.526 173.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -85.49 88.19 7.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.94 -0.475 . . . . 31.63 109.952 -173.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.78 77.13 8.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.771 0.828 . . . . 99.99 110.671 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -168.99 177.08 5.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.639 1.176 . . . . 49.29 109.284 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -76.51 121.67 85.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.272 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.427 ' O ' HG12 ' D' ' 40' ' ' VAL . 33.2 Cg_exo -60.81 129.62 29.81 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 122.292 1.995 . . . . 31.29 109.489 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.24 107.74 8.69 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 106.446 -1.687 . . . . 99.99 106.446 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.453 HG13 HD13 ' D' ' 126' ' ' LEU . 2.6 p -144.78 100.62 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 115.145 -0.934 . . . . 52.79 111.144 -169.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.445 ' NZ ' HG12 ' E' ' 121' ' ' VAL . 9.6 ttpp -149.45 113.41 5.13 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 107.986 -1.116 . . . . 99.99 107.986 161.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' HA ' ' D' ' 64' ' ' VAL . 11.7 tp -144.23 142.32 30.42 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.371 -0.974 . . . . 74.77 108.371 164.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.718 ' HB3' HG13 ' D' ' 62' ' ' VAL . 0.0 OUTLIER -155.26 100.24 2.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 176.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.02 123.47 13.93 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 122.235 -0.291 . . . . 66.01 111.016 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.699 ' HB3' ' HB3' ' D' ' 61' ' ' ARG . 35.7 t70 -179.97 145.93 0.23 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.973 1.421 . . . . 79.72 108.818 150.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' E' ' 108' ' ' HIS . 22.5 p -119.15 145.49 45.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.633 0.773 . . . . 77.52 108.926 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' HE2' ' E' ' 106' ' ' TYR . . . -175.8 157.89 2.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.31 1.444 . . . . 38.8 108.731 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.422 ' HB3' HG23 ' D' ' 58' ' ' VAL . 8.4 p -177.48 172.89 1.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 48.36 111.632 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.6 p -150.7 132.42 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.837 0.855 . . . . 52.73 110.066 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . 0.667 ' NE2' HD23 ' E' ' 100' ' ' LEU . 56.2 tt0 -77.67 118.1 19.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.251 -0.648 . . . . 99.71 109.251 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 mt -77.41 -39.73 46.01 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.243 -0.651 . . . . 82.32 109.243 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.39 177.46 4.08 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 125.333 1.453 . . . . 96.95 108.416 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.01 131.93 47.88 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.557 -0.534 . . . . 99.99 109.557 168.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.743 ' HA ' HD12 ' E' ' 97' ' ' ILE . 6.5 m-20 81.23 11.56 0.81 Allowed 'General case' 0 N--CA 1.483 1.216 0 O-C-N 125.455 1.722 . . . . 99.99 112.945 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.71 124.03 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 121.728 0.775 . . . . 82.8 110.628 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.664 ' HB2' HD12 ' E' ' 100' ' ' LEU . 10.1 t80 -114.89 129.09 56.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.659 -1.155 . . . . 99.99 108.799 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -114.11 123.79 50.5 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 105.61 -1.996 . . . . 55.89 105.61 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' D' ' 48' ' ' SER . 12.7 p -127.93 148.07 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 121.231 0.538 . . . . 44.56 110.763 -168.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.657 HG13 ' HG3' ' D' ' 79' ' ' GLN . 92.8 t -111.47 106.37 20.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 124.755 1.222 . . . . 19.48 109.038 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 54.4 tp -97.49 98.67 10.12 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 107.305 -1.369 . . . . 52.2 107.305 161.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' D' ' 45' ' ' ASP . 12.5 ttp180 -98.07 120.51 38.6 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.821 -0.807 . . . . 99.99 108.821 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.718 HG13 ' HB3' ' D' ' 43' ' ' ASP . 56.1 t -89.84 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 124.965 1.306 . . . . 9.25 107.829 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.561 ' H ' ' HA ' ' D' ' 43' ' ' ASP . 99.2 m -138.43 113.97 9.68 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.154 -0.684 . . . . 10.79 109.154 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' D' ' 42' ' ' LEU . 72.4 t -108.36 142.04 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.001 0.813 . . . . 9.72 111.422 -166.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -127.56 128.16 45.13 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.223 1.009 . . . . 19.36 108.742 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.8 143.42 51.06 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.244 1.018 . . . . 11.33 108.995 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 49.2 m -143.38 128.01 18.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.548 0.689 . . . . 29.87 110.882 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 24.7 mt -104.17 98.68 8.45 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.432 -1.258 . . . . 24.97 109.225 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . 0.482 ' H ' HD21 ' E' ' 412' ' ' LEU . . . 82.77 -117.0 4.31 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.785 -0.643 . . . . 27.84 112.256 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.9 6.37 41.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.302 1.041 . . . . 76.3 110.58 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -135.21 145.3 47.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.231 0.612 . . . . 81.89 111.294 -168.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 94.7 m -65.55 122.99 18.48 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 124.005 0.922 . . . . 11.35 110.265 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -76.08 -65.71 0.88 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.552 -0.749 . . . . 10.67 109.279 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -157.83 161.9 38.38 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.925 -0.58 . . . . 7.73 111.818 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.44 151.08 43.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.538 1.535 . . . . 11.05 106.903 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' D' ' 114' ' ' ILE . 35.1 t -159.27 107.63 1.82 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.386 0.539 . . . . 12.97 111.211 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' D' ' 22' ' ' SER . 10.0 mp0 -116.63 120.77 39.72 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.38 -0.6 . . . . 47.96 109.38 -176.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.3 113.71 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 121.173 0.511 . . . . 5.05 110.01 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.657 ' HG3' HG13 ' D' ' 59' ' ' VAL . 28.2 tt0 -89.53 92.34 9.06 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.811 1.245 . . . . 21.68 109.522 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -89.84 127.54 36.01 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.543 -0.753 . . . . 8.01 109.497 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.457 ' HA3' ' HD2' ' D' ' 19' ' ' LYS . . . -127.14 178.77 16.72 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 123.66 0.648 . . . . 11.29 112.219 176.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.74 145.85 7.89 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-O 120.1 -0.278 . . . . 22.6 112.573 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mt -90.6 102.48 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.205 -1.035 . . . . 43.57 108.205 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.24 125.66 46.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.938 . . . . 45.01 109.06 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 46.5 m -102.58 120.73 41.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.653 -0.869 . . . . 77.58 108.653 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.49 HG12 HD11 ' E' ' 97' ' ' ILE . 0.2 OUTLIER -141.42 143.51 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.057 0.943 . . . . 88.57 109.963 -170.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.2 146.0 8.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.367 0.667 . . . . 99.99 110.475 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.75 22.12 37.55 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 121.686 -0.292 . . . . 99.99 112.798 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.614 HG23 ' SD ' ' D' ' 9' ' ' MET . 14.6 pt -96.28 143.65 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 108.447 -0.946 . . . . 99.99 108.447 173.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -133.47 150.46 51.73 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.948 -163.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' E' ' 82' ' ' ALA . . . 77.37 -142.17 26.75 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 115.257 -0.883 . . . . 99.99 114.4 172.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -95.49 -25.56 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.749 0.82 . . . . 99.99 111.731 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.595 HE21 ' HB3' ' E' ' 79' ' ' GLU . 5.8 tp-100 -67.55 -22.93 65.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.402 0.681 . . . . 99.99 110.842 176.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 27.4 ptm -46.66 -62.5 1.35 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.35 1.06 . . . . 99.99 113.693 -170.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.25 -15.76 39.75 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.178 0.591 . . . . 88.9 111.112 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -67.5 -33.94 76.11 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.689 0.396 . . . . 99.99 110.997 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.59 -26.01 63.19 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.742 0.782 . . . . 95.17 111.089 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 52.5 mt -85.28 -27.31 26.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 99.99 111.218 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.74 15.38 63.23 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 116.187 -0.46 . . . . 66.02 112.853 176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -142.91 -60.19 0.43 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.221 0.608 . . . . 54.11 111.464 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -75.91 -43.98 42.51 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 40.76 112.109 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 85.2 m -62.25 -44.09 87.49 Favored Pre-proline 0 CA--C 1.568 1.667 0 N-CA-C 113.402 0.89 . . . . 34.31 113.402 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.2 -28.65 64.54 Favored 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 121.935 1.757 . . . . 28.69 112.976 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -64.94 -29.04 69.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.883 0.473 . . . . 61.29 110.852 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.19 -40.93 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.718 0.807 . . . . 19.65 110.678 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.96 -27.14 61.65 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.229 -0.896 . . . . 13.09 112.436 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -63.05 -41.3 69.48 Favored Pre-proline 0 CA--C 1.562 1.431 0 N-CA-C 113.969 1.1 . . . . 10.47 113.969 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.68 -40.45 30.94 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.382 2.054 . . . . 6.22 114.845 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.64 -32.06 32.08 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.399 0.679 . . . . 10.48 111.704 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.91 65.88 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.582 -0.525 . . . . 4.16 109.582 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 33.7 ttp-105 -53.48 -48.01 69.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.335 -1.302 . . . . 10.22 110.699 174.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 109' ' ' TYR . 11.0 tt0 -52.6 -51.53 59.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.593 1.157 . . . . 32.24 112.442 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 117' ' ' MET . 49.3 t -59.87 -45.13 93.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.866 -1.061 . . . . 3.39 110.237 -178.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.57 HG12 ' SG ' ' D' ' 76' ' ' CYS . 72.8 mt -58.68 -52.79 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.748 0.819 . . . . 5.37 110.312 175.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 46.8 m -49.21 -47.35 46.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.186 1.794 . . . . 7.06 111.312 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 23.1 t -72.38 -42.19 65.5 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 114.185 -1.371 . . . . 6.71 110.228 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.461 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 72.8 mtm -67.71 -33.26 74.54 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.206 0.602 . . . . 5.08 112.103 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 114' ' ' ILE . 78.1 t -64.8 -46.4 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.142 0.977 . . . . 5.65 110.004 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -71.06 -30.82 67.07 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.817 -0.629 . . . . 10.21 111.065 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.472 ' HD3' ' SG ' ' C' ' 113' ' ' CYS . 49.2 mtt-85 -69.94 -24.26 63.33 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.857 0.863 . . . . 6.99 111.151 175.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.35 11.61 67.31 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-O 118.767 -1.018 . . . . 7.43 113.569 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 29.0 m 69.43 12.94 8.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 124.782 1.233 . . . . 18.26 111.448 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -89.1 151.62 47.06 Favored Pre-proline 0 N--CA 1.478 0.943 0 O-C-N 121.459 -0.776 . . . . 10.7 109.045 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.552 ' HA ' ' HB3' ' E' ' 130' ' ' ALA . 34.2 Cg_endo -62.25 149.17 91.61 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.336 2.024 . . . . 20.06 110.926 173.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -51.77 150.88 3.71 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.022 0.929 . . . . 16.85 112.102 -173.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.453 HD13 HG13 ' D' ' 40' ' ' VAL . 41.1 tp -128.41 113.22 15.28 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.98 0.512 . . . . 14.84 110.646 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -105.46 107.08 17.88 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.613 0.765 . . . . 76.73 109.565 168.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 65.2 mt -74.75 113.1 11.64 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 108.757 -0.831 . . . . 20.32 108.757 171.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.5 141.5 98.23 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.052 0.941 . . . . 28.37 111.1 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.39 118.8 5.7 Favored 'Trans proline' 0 C--N 1.386 2.5 0 C-N-CA 123.311 2.674 . . . . 32.68 112.614 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.498 HG21 HG13 ' E' ' 121' ' ' VAL . 9.8 p -108.61 149.95 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.359 0.664 . . . . 69.78 110.444 -177.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.427 ' O ' HD13 ' D' ' 136' ' ' LEU . 14.7 t30 -82.95 94.19 7.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.412 1.085 . . . . 99.99 111.099 -175.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.5 -11.96 55.05 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.404 1.261 . . . . 99.99 114.404 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.89 -60.26 3.39 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 123.461 0.704 . . . . 99.99 111.113 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.68 85.0 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.073 -0.967 . . . . 99.99 111.217 -175.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.441 HD23 HD21 ' E' ' 111' ' ' LEU . 10.7 mp -53.07 -49.64 65.98 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.859 0.864 . . . . 99.99 112.975 -172.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -74.56 -45.25 46.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.359 0.263 . . . . 99.99 111.486 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.7 -22.15 62.49 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.933 0.493 . . . . 99.99 111.859 -175.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -78.75 -24.92 44.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.04 0.936 . . . . 99.99 109.5 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.52 ' HE2' ' HE2' ' E' ' 114' ' ' LYS . 92.1 t80 -84.2 -30.86 25.43 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.861 0.464 . . . . 99.99 111.098 172.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.81 -29.79 70.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.065 0.546 . . . . 99.99 111.796 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -82.1 4.77 21.83 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.989 0.915 . . . . 99.99 112.096 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.32 94.81 4.5 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.402 1.081 . . . . 99.99 108.966 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -141.6 79.27 1.67 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 171.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 57.34 40.51 27.55 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.536 -1.211 . . . . 99.99 110.462 -172.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 100.97 -163.59 18.36 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 110.928 -0.869 . . . . 99.99 110.928 -170.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -86.27 103.73 15.15 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 69.13 60.52 5.14 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.958 0.786 . . . . 99.99 113.078 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 39.5 p 75.2 -44.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.794 2.037 . . . . 99.99 113.901 174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -98.07 -79.31 0.47 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.537 -0.542 . . . . 99.99 109.537 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 177.09 -12.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.697 0.799 . . . . 99.99 111.454 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -136.2 72.16 1.43 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.273 0.629 . . . . 99.99 110.492 -172.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -58.37 4.45 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.163 -1.051 . . . . 99.99 108.163 175.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.95 91.15 8.2 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.787 -0.819 . . . . 99.99 108.787 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.03 0.932 . . . . 99.99 108.628 179.755 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' E' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.11 84.19 0.53 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.462 0.705 . . . . 99.99 109.49 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -116.89 142.34 47.06 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.259 1.024 . . . . 99.99 109.001 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 57.4 p -66.52 -45.14 80.47 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.792 0.837 . . . . 99.99 110.034 174.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -64.68 154.07 37.69 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.755 -1.111 . . . . 99.99 110.968 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.452 HG22 HD12 ' B' ' 128' ' ' LEU . 44.8 mm -61.42 112.84 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.082 0.953 . . . . 99.99 111.069 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' B' ' 129' ' ' ALA . . . -161.98 -150.05 0.18 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.053 1.341 . . . . 99.99 108.849 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.49 ' H ' HG11 ' B' ' 131' ' ' VAL . 89.3 mt -119.66 126.99 52.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.712 -0.847 . . . . 99.99 108.712 170.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 53.85 2.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.56 0.744 . . . . 99.99 109.005 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt 58.69 -95.92 0.06 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.195 1.398 . . . . 99.99 109.27 -165.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -174.98 144.25 0.82 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.421 -0.955 . . . . 99.99 108.421 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -74.13 20.02 0.42 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.829 2.353 . . . . 99.99 113.553 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 32.1 tp 66.24 -72.19 0.08 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.0 1.72 . . . . 99.99 111.281 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.88 85.87 0.23 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.773 0.829 . . . . 99.99 109.531 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.38 -16.1 60.91 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.792 1.237 . . . . 99.99 111.08 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 17.5 m 59.78 66.68 2.01 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.419 1.088 . . . . 99.99 109.427 -167.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' E' ' 16' ' ' THR . 5.4 Cg_exo -82.39 -148.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 124.486 3.457 . . . . 99.99 112.957 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.516 HG13 HD21 ' B' ' 98' ' ' LEU . 18.6 m -52.45 -52.72 23.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 0 C-N-CA 124.807 1.243 . . . . 99.99 113.589 -175.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.0 p -141.64 66.25 1.36 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.473 0.709 . . . . 99.99 109.701 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.562 ' O ' ' SD ' ' B' ' 94' ' ' MET . 0.1 OUTLIER 60.83 -165.74 0.21 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.14 0.976 . . . . 99.99 109.592 -173.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.04 60.29 0.85 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.055 -0.72 . . . . 99.99 109.055 172.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.585 ' HG3' HG23 ' E' ' 23' ' ' THR . 12.4 ptm180 -172.97 -30.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 114.222 -1.353 . . . . 99.99 111.432 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . 0.585 HG23 ' HG3' ' E' ' 22' ' ' ARG . 27.2 p -121.48 115.88 30.95 Favored Pre-proline 0 N--CA 1.49 1.541 0 CA-C-O 118.49 -0.767 . . . . 99.99 110.861 -170.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.62 120.97 6.47 Favored 'Trans proline' 0 C--N 1.397 3.086 0 C-N-CA 123.509 2.806 . . . . 99.99 114.237 -171.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 27.65 -88.39 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.388 1.875 . . . . 99.99 113.781 -170.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 3.1 ppp? 162.17 -33.39 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 C-N-CA 127.688 2.395 . . . . 99.99 110.204 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.98 -58.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.406 3.568 0 CA-C-N 121.78 1.671 . . . . 99.99 111.373 171.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.597 HG13 ' H ' ' E' ' 29' ' ' LEU . 2.4 p -141.71 -92.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 115.645 -0.707 . . . . 99.99 110.346 177.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . 0.597 ' H ' HG13 ' E' ' 28' ' ' VAL . 16.0 tp 57.79 -67.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.774 1.63 . . . . 99.99 111.323 -164.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 73.56 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.92 1.688 . . . . 99.99 107.482 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . 0.503 ' HB3' ' HG3' ' B' ' 3' ' ' GLU . 41.3 m-80 -143.35 -14.75 0.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.506 1.122 . . . . 99.99 109.88 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -81.79 125.33 30.53 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.511 0.724 . . . . 99.99 109.643 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.35 147.45 48.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.002 0.814 . . . . 99.99 110.585 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.19 69.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.863 0.865 . . . . 99.99 112.092 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -74.81 112.33 10.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.824 -0.806 . . . . 99.99 108.824 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.32 97.26 Favored Glycine 0 C--N 1.351 1.404 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -157.4 138.46 13.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.014 0.926 . . . . 99.99 109.203 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 tp -149.87 17.26 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 124.2 1.0 . . . . 99.99 108.697 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 37.7 m 60.12 -83.42 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.933 1.293 . . . . 99.99 109.512 -166.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.96 151.77 0.19 Allowed Pre-proline 0 N--CA 1.482 1.152 0 C-N-CA 126.121 1.768 . . . . 99.99 108.828 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -67.58 99.73 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.109 1.873 . . . . 99.99 111.088 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.18 175.41 5.4 Favored Glycine 0 C--N 1.355 1.609 0 N-CA-C 115.676 1.031 . . . . 99.99 115.676 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . 0.62 ' H ' ' HA2' ' B' ' 148' ' ' GLY . . . 129.85 120.67 2.26 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 123.098 0.38 . . . . 99.99 112.65 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . 0.739 ' HB2' ' HA3' ' B' ' 148' ' ' GLY . . . -117.77 -68.3 0.93 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.107 0.563 . . . . 99.99 111.26 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 73.86 -41.85 0.5 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.713 1.605 . . . . 99.99 111.3 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -170.68 -59.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.366 1.067 . . . . 99.99 111.087 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.543 HD23 ' H ' ' E' ' 47' ' ' LEU . 2.5 pt? -120.59 -25.0 5.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.821 0.674 . . . . 99.99 112.821 -167.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' E' ' 44' ' ' ALA . 50.6 m 63.14 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.165 0.986 . . . . 99.99 110.931 -173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.9 35.25 1.51 Allowed Glycine 0 C--N 1.348 1.196 0 N-CA-C 110.843 -0.903 . . . . 99.99 110.843 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.47 76.26 10.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.628 -1.249 . . . . 99.99 107.628 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' E' ' 61' ' ' ASP . 0.0 OUTLIER -93.27 -68.48 0.8 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.846 0.684 . . . . 99.99 112.846 -169.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -93.07 -67.19 0.87 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.04 0.385 . . . . 99.99 112.04 -173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.51 -58.13 2.29 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.974 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.02 176.37 2.14 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.884 0.74 . . . . 99.99 111.303 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.59 80.19 1.08 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.691 1.196 . . . . 99.99 111.198 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.14 -164.37 1.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.761 1.224 . . . . 99.99 108.967 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.4 -60.46 3.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.764 -1.198 . . . . 99.99 107.764 162.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 44.2 t 44.55 -80.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 125.005 1.322 . . . . 99.99 114.34 164.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . 0.436 HD21 ' HA2' ' E' ' 208' ' ' GLY . 63.6 tp -168.22 157.38 9.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.131 1.373 . . . . 99.99 108.907 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -82.93 -69.65 0.61 Allowed 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 109.645 -0.502 . . . . 99.99 109.645 173.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' E' ' 51' ' ' GLN . 31.0 t70 58.05 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 125.884 1.674 . . . . 99.99 113.097 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -60.22 116.73 18.84 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 124.47 1.108 . . . . 99.99 111.16 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -72.35 -20.28 24.4 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 122.832 2.355 . . . . 99.99 112.783 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.75 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.434 1.494 . . . . 99.99 111.079 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -168.71 173.06 7.49 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.873 1.269 . . . . 99.99 107.864 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.563 HD22 HG22 ' E' ' 67' ' ' ILE . 0.5 OUTLIER -75.82 140.54 42.34 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.445 -0.946 . . . . 99.99 108.445 170.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.563 HG22 HD22 ' E' ' 66' ' ' ASN . 16.4 tt 42.16 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 C-N-CA 126.446 1.898 . . . . 99.99 114.809 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.662 HD13 HE22 ' B' ' 142' ' ' GLN . 1.8 mp -99.0 119.19 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.298 -1.371 . . . . 99.99 107.298 167.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.503 HD23 ' HG ' ' E' ' 70' ' ' LEU . 6.8 tt -140.42 98.01 3.34 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.059 -1.46 . . . . 99.99 107.059 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' E' ' 69' ' ' LEU . 43.5 mt 63.48 -166.59 0.22 Allowed 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 99.99 111.099 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' D' ' 132' ' ' ASN . 76.3 mt 72.61 84.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.32 1.048 . . . . 99.99 110.294 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' E' ' 44' ' ' ALA . . . -100.4 64.52 0.59 Allowed Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.767 -1.106 . . . . 99.99 112.417 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -86.57 179.7 6.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.843 0.857 . . . . 99.99 111.57 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.35 81.44 0.26 Allowed Glycine 0 C--N 1.348 1.242 0 N-CA-C 109.803 -1.319 . . . . 99.99 109.803 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.84 178.62 6.93 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.762 0.825 . . . . 99.99 112.851 -174.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.72 128.47 39.79 Favored Glycine 0 C--N 1.363 2.064 0 O-C-N 124.348 1.03 . . . . 99.99 114.371 -173.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -103.64 53.76 0.75 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.012 1.325 . . . . 99.99 111.648 -170.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 46.7 p -65.93 -16.37 63.8 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.115 0.966 . . . . 99.99 112.92 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.595 ' HB3' HE21 ' D' ' 93' ' ' GLN . 14.5 pt-20 -65.13 -16.53 63.59 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.439 1.096 . . . . 99.99 113.837 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.52 -52.89 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.676 0.79 . . . . 99.99 110.317 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 63.9 m -78.91 100.55 7.28 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.2 -0.909 . . . . 99.99 109.609 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . 0.445 ' HA ' ' HA3' ' D' ' 91' ' ' GLY . . . -108.81 67.69 0.66 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.66 90.99 1.11 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.492 -0.776 . . . . 99.99 110.314 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -167.69 106.78 0.54 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.927 0.891 . . . . 99.99 109.652 170.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -158.64 130.25 6.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.295 1.038 . . . . 99.99 108.465 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -138.77 169.56 17.57 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.339 0.655 . . . . 99.99 110.228 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 125.11 22.74 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.885 0.874 . . . . 99.99 111.399 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . 0.416 ' HG3' ' HD3' ' E' ' 95' ' ' LYS . 1.2 pm0 -86.57 -173.73 4.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.276 1.03 . . . . 99.99 111.444 -175.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.75 -89.77 0.09 OUTLIER Glycine 0 C--N 1.355 1.601 0 CA-C-O 120.066 -0.297 . . . . 99.99 113.625 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.41 111.75 5.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.745 0.818 . . . . 99.99 111.761 -172.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.47 45.83 1.26 Allowed Glycine 0 C--N 1.353 1.526 0 O-C-N 123.338 0.399 . . . . 99.99 113.898 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.7 -26.73 73.57 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.902 -0.479 . . . . 99.99 111.902 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.23 -160.19 0.78 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.599 1.16 . . . . 99.99 109.158 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -64.29 163.79 12.31 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.955 0.902 . . . . 99.99 110.078 172.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . 0.416 ' HD3' ' HG3' ' E' ' 88' ' ' GLU . 0.0 OUTLIER -133.76 121.47 21.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.113 0.565 . . . . 99.99 110.463 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.93 22.68 0.02 OUTLIER Glycine 0 C--N 1.347 1.185 0 CA-C-N 116.018 -0.537 . . . . 99.99 113.045 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' D' ' 54' ' ' ASP . 30.1 mt -124.99 144.2 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.89 0.876 . . . . 99.99 109.935 174.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -118.72 104.67 10.82 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.911 -1.144 . . . . 99.99 107.911 162.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 72.9 121.68 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.238 1.415 . . . . 99.99 112.988 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.68 HD21 ' H ' ' D' ' 54' ' ' ASP . 4.0 mm? -83.38 163.15 51.29 Favored Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.378 1.071 . . . . 99.99 108.662 171.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.09 73.66 5.65 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 122.729 2.286 . . . . 99.99 112.786 -171.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' D' ' 50' ' ' GLN . 3.4 mm? -123.2 35.91 4.76 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.556 -1.202 . . . . 99.99 108.735 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -57.79 92.95 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.873 1.269 . . . . 99.99 111.982 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.16 -137.02 8.49 Favored Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.767 -1.333 . . . . 99.99 109.767 -173.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -99.72 -42.3 6.92 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.389 0.676 . . . . 99.99 110.09 171.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . 0.431 ' HE2' ' HB1' ' D' ' 47' ' ' ALA . 8.6 t80 -156.28 138.86 15.01 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.664 -1.606 . . . . 99.99 106.664 -176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' E' ' 102' ' ' LEU . 3.8 m -84.15 27.33 0.68 Allowed 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.297 0.57 . . . . 99.99 111.573 -173.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' D' ' 46' ' ' THR . 81.4 t60 -89.63 96.05 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.74 -0.6 . . . . 99.99 109.736 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.429 ' HB2' ' H ' ' E' ' 110' ' ' ALA . 24.0 m-85 -125.02 -91.61 0.53 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 108.992 -0.744 . . . . 99.99 108.992 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' E' ' 109' ' ' TYR . . . -171.81 -165.86 0.39 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.121 1.368 . . . . 99.99 108.129 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.441 HD21 HD23 ' D' ' 136' ' ' LEU . 14.0 tp -142.55 141.52 32.05 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.7 -0.481 . . . . 99.99 109.7 -172.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 67.12 150.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 125.372 1.469 . . . . 99.99 112.911 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -67.27 86.07 0.16 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.92 0.888 . . . . 99.99 109.253 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . 0.52 ' HE2' ' HE2' ' D' ' 140' ' ' TYR . 51.4 pttt -63.77 104.45 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.445 -1.252 . . . . 99.99 110.421 -178.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 3.1 m -139.65 -49.94 0.49 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.484 0.713 . . . . 99.99 109.522 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.4 -112.52 0.58 Allowed Glycine 0 C--N 1.343 0.918 0 N-CA-C 111.177 -0.769 . . . . 99.99 111.177 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.48 121.5 71.1 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 108.589 -0.893 . . . . 99.99 108.589 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -73.64 65.02 4.76 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.967 2.444 . . . . 99.99 110.738 168.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -73.02 93.42 1.76 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.095 0.958 . . . . 99.99 108.92 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 17.9 t80 170.4 -42.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.16 1.784 . . . . 99.99 106.724 -170.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.498 HG13 HG21 ' D' ' 131' ' ' VAL . 16.2 t -124.1 87.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 114.276 -1.329 . . . . 99.99 107.583 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.2 t -162.45 27.36 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 122.03 0.919 . . . . 99.99 110.186 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.73 -148.56 0.26 Allowed 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 125.411 1.484 . . . . 99.99 111.39 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 27.4 m 71.27 -166.83 0.15 Allowed 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 125.076 1.35 . . . . 99.99 113.014 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 72.47 78.43 0.15 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.424 1.49 . . . . 99.99 110.225 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -139.73 38.18 2.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.963 -1.017 . . . . 96.83 109.524 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 11.0 p -153.13 146.01 24.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.41 0.684 . . . . 99.99 110.388 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' D' ' 124' ' ' PRO . . . -159.13 -171.81 3.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.266 0.626 . . . . 74.48 111.624 -171.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . 0.471 ' HB ' HH22 ' B' ' 15' ' ' ARG . 14.9 m 71.99 88.27 0.1 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.661 1.585 . . . . 99.99 111.628 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' D' ' 124' ' ' PRO . . . -173.2 112.28 0.21 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.77 0.828 . . . . 99.99 110.184 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -152.77 168.02 27.08 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.797 0.839 . . . . 99.99 108.808 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 74.7 m -84.66 137.77 33.06 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.936 -0.478 . . . . 99.99 112.153 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.532 HG21 HD12 ' A' ' 126' ' ' LEU . 22.2 p -76.33 -80.95 0.09 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 124.179 0.992 . . . . 99.99 111.509 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.47 2.22 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 119.494 -0.615 . . . . 89.58 111.799 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 13.6 p -152.61 158.17 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 117.618 0.709 . . . . 99.99 112.609 -168.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.567 ' HB2' ' HG3' ' A' ' 130' ' ' PRO . 39.2 mttm -139.19 -174.57 3.9 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.651 1.581 . . . . 99.99 108.014 172.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 18.2 m -161.9 -66.2 0.05 Allowed 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.516 1.126 . . . . 99.99 109.091 162.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 63.8 80.89 0.22 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.064 1.746 . . . . 99.99 111.12 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -159.26 158.72 33.07 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.197 0.999 . . . . 99.99 109.693 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' C' ' 96' ' ' HIS . . . -168.43 -174.68 37.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 120.166 -0.241 . . . . 99.99 113.638 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 57.29 81.47 0.14 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.915 1.286 . . . . 99.99 111.925 -174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.54 -46.12 3.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.144 0.578 . . . . 99.99 110.272 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 101.61 167.9 27.54 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-N 116.306 -0.406 . . . . 99.99 112.959 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -150.91 162.5 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.946 0.898 . . . . 99.99 108.856 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -72.62 112.03 8.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.279 -0.637 . . . . 99.99 109.279 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.0 pt -96.46 90.51 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-O 121.939 0.876 . . . . 99.99 109.265 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.56 ' HB3' ' NH2' ' E' ' 289' ' ' ARG . 40.4 t60 -145.51 159.15 43.53 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.992 -0.549 . . . . 99.99 110.112 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.66 -170.77 0.73 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.966 0.906 . . . . 99.99 111.061 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -138.07 146.98 43.6 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.962 0.505 . . . . 99.99 109.883 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.57 135.02 57.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.406 1.082 . . . . 99.99 110.778 169.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 30.75 74.97 0.41 Allowed Pre-proline 0 N--CA 1.489 1.52 0 C-N-CA 126.285 1.834 . . . . 99.99 114.404 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.63 69.22 2.82 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.123 1.882 . . . . 99.99 110.524 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 5.6 t -93.13 81.71 4.53 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.951 1.358 . . . . 99.99 111.171 -165.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.484 HG22 HD13 ' E' ' 439' ' ' LEU . 16.4 tt -82.22 -12.22 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 CA-C-N 114.04 -1.436 . . . . 99.99 108.785 164.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.87 -46.86 80.04 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.97 1.308 . . . . 99.99 110.467 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -21.77 60.56 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.911 -0.586 . . . . 99.99 109.669 177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 28.3 ttt -80.37 77.94 7.1 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.258 0.551 . . . . 99.99 110.44 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 57.31 76.19 0.33 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.095 1.358 . . . . 99.99 112.393 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -41.05 75.8 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.287 0.635 . . . . 99.99 110.789 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.21 -51.28 5.86 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.069 -0.715 . . . . 99.99 109.069 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 55.04 22.96 4.78 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.7 1.2 . . . . 99.99 111.22 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -100.04 100.21 2.16 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.689 -0.687 . . . . 99.99 112.278 -172.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.48 98.31 8.11 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.63 -1.618 . . . . 99.99 106.63 171.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -106.77 58.61 0.63 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.146 0.979 . . . . 99.99 109.443 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 11.9 t -159.31 47.62 0.3 Allowed 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 122.412 1.101 . . . . 99.99 108.308 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -54.61 102.02 0.12 Allowed Glycine 0 C--N 1.359 1.821 0 CA-C-N 113.698 -1.592 . . . . 99.99 114.268 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 76.1 -39.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 126.279 1.832 . . . . 99.99 112.878 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . 0.597 ' HA ' ' NE2' ' E' ' 174' ' ' GLN . 10.3 p -63.62 -28.39 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.661 0.785 . . . . 99.99 112.192 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 31.6 p 49.42 35.85 8.8 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.846 1.258 . . . . 99.99 112.441 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 38.1 m 72.07 96.22 0.07 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.659 1.583 . . . . 99.99 111.78 175.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . 74.67 -8.18 1.56 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.607 1.563 . . . . 99.99 114.281 169.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.67 170.73 16.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.181 0.592 . . . . 99.99 112.025 -174.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 5.7 mp -91.95 134.85 34.42 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.101 -0.954 . . . . 99.99 110.036 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.597 ' NE2' ' HA ' ' E' ' 168' ' ' VAL . 1.7 mp0 -87.05 174.85 8.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.992 0.917 . . . . 99.99 109.832 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -76.78 76.31 3.41 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.948 -1.13 . . . . 99.99 107.948 168.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.79 -39.8 79.97 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.426 -1.261 . . . . 99.99 109.74 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 5.5 t 36.28 71.86 0.86 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 126.078 1.751 . . . . 99.99 111.82 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.73 78.25 2.84 Favored 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 123.133 2.555 . . . . 99.99 110.773 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.77 18.83 6.33 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.121 0.969 . . . . 99.99 111.122 -172.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -101.14 90.85 4.28 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 123.972 0.909 . . . . 99.99 109.563 -169.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.7 165.86 13.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.103 -0.953 . . . . 99.99 108.632 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.69 132.91 30.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-N 115.919 -0.582 . . . . 99.99 109.602 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.22 140.68 58.9 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.553 -0.906 . . . . 99.99 108.553 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -57.21 -56.24 24.35 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.202 0.939 . . . . 99.99 110.945 -173.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 5.1 t 49.88 33.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 C-N-CA 124.94 1.296 . . . . 99.99 111.051 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 4.0 t -118.93 -47.69 2.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.78 -0.575 . . . . 99.99 110.292 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 38.1 t 66.24 168.02 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.615 1.166 . . . . 99.99 110.916 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.59 125.86 1.82 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.353 0.661 . . . . 99.99 109.349 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 34.8 mttm 56.48 -91.22 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 124.921 1.288 . . . . 99.99 110.977 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 84.5 m 52.9 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.004 1.722 . . . . 99.99 113.119 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -109.29 -49.38 3.12 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.12 0.968 . . . . 99.99 108.529 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 134.34 85.26 0.23 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 109.588 -1.405 . . . . 99.99 109.588 -173.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.99 -26.68 74.03 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 123.47 2.78 . . . . 99.99 113.804 -171.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 33.4 t -154.65 167.5 29.94 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.6 0.76 . . . . 99.99 110.159 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -152.31 -50.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.478 -0.934 . . . . 99.99 108.478 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 77.4 p 44.27 -97.19 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 126.122 1.769 . . . . 99.99 112.451 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 79.8 p 50.18 -76.82 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.386 1.874 . . . . 99.99 113.668 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.525 ' HG3' ' HD2' ' E' ' 199' ' ' LYS . 11.9 pt-20 -73.4 -34.83 65.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.197 0.999 . . . . 99.99 110.631 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.525 ' HD2' ' HG3' ' E' ' 198' ' ' GLU . 13.5 mptt -76.11 99.98 4.83 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.602 -0.888 . . . . 99.99 108.602 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' E' ' 205' ' ' LEU . 35.8 t 60.14 80.26 0.27 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 124.615 1.197 . . . . 99.99 111.358 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.09 3.39 4.6 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.228 2.619 . . . . 99.99 113.922 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -113.79 21.33 16.41 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 119.351 -0.694 . . . . 99.99 112.958 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.08 83.42 0.1 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.656 1.183 . . . . 99.99 111.447 174.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 59.29 23.64 12.07 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.536 1.134 . . . . 99.99 112.014 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' E' ' 200' ' ' CYS . 0.9 OUTLIER 42.28 33.36 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 126.714 2.005 . . . . 99.99 112.97 -175.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -72.9 -61.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -132.31 -82.26 0.5 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.938 -1.134 . . . . 99.99 107.938 170.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . 0.436 ' HA2' HD21 ' E' ' 59' ' ' LEU . . . 56.88 -107.27 0.89 Allowed Glycine 0 C--N 1.347 1.169 0 N-CA-C 112.006 -0.437 . . . . 99.99 112.006 -171.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.83 -11.52 78.12 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 122.836 0.255 . . . . 99.99 113.321 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' E' ' 210' ' ' LYS . 0.5 OUTLIER -85.34 93.91 8.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.607 0.763 . . . . 99.99 109.292 175.069 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -88.8 -131.43 3.99 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.9 -0.591 . . . . 99.99 112.61 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.2 t 64.3 10.79 5.89 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.074 1.349 . . . . 99.99 111.96 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.421 HD13 ' HD1' ' B' ' 137' ' ' PHE . 52.0 mt 58.85 -82.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 125.47 1.508 . . . . 99.99 110.838 -175.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.8 t -145.24 1.2 0.95 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.98 0.912 . . . . 99.99 110.408 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . 0.497 ' HA ' HH22 ' E' ' 221' ' ' ARG . 10.0 mm-40 -80.84 -9.07 59.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.889 1.275 . . . . 99.99 111.871 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -47.79 -28.84 2.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.014 1.326 . . . . 99.99 113.076 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.466 ' HB2' HH21 ' E' ' 221' ' ' ARG . 90.3 mt -52.26 110.12 0.46 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.442 1.097 . . . . 99.99 111.199 -176.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 81.2 mt 65.8 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.359 1.008 0 C-N-CA 125.278 1.431 . . . . 99.99 109.988 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -177.64 -67.23 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.667 1.187 . . . . 99.99 108.458 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.82 -86.15 0.07 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.685 0.794 . . . . 99.99 109.734 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.497 HH22 ' HA ' ' E' ' 215' ' ' GLU . 8.8 tmm_? 58.28 -70.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.083 1.753 . . . . 99.99 113.278 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . 0.486 ' HB2' ' NH1' ' E' ' 221' ' ' ARG . . . -66.24 -50.93 62.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.39 0.676 . . . . 99.99 111.227 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 59.14 -147.41 0.49 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 124.326 1.016 . . . . 99.99 110.145 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 62.0 t -68.84 124.21 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.03 157.36 31.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.22 1.008 . . . . 99.99 112.162 -175.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.64 55.32 3.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.314 1.045 . . . . 99.99 110.197 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 163.37 115.27 0.33 Allowed Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.473 -1.051 . . . . 99.99 110.473 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -172.94 139.02 4.98 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.729 -0.548 . . . . 99.99 111.729 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -123.01 -58.16 0.2 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 112.0 -0.44 . . . . 99.99 112.0 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 76.61 -46.08 0.51 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 125.791 1.636 . . . . 99.99 112.567 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -120.06 -64.04 1.3 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.893 0.877 . . . . 99.99 109.007 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 m 61.64 18.48 9.6 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.035 1.334 . . . . 99.99 112.492 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 51.94 28.68 5.37 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 124.356 1.062 . . . . 99.99 112.69 -177.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -83.2 -14.25 53.75 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.481 0.713 . . . . 99.99 111.591 -176.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -164.67 1.16 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.705 1.202 . . . . 99.99 110.34 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 36.6 m 79.07 -32.22 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.631 1.572 . . . . 99.99 112.744 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -53.04 -55.96 19.76 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.188 0.995 . . . . 99.99 111.33 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.645 HG22 ' H ' ' E' ' 239' ' ' ALA . 3.3 m 60.16 -168.57 0.16 Allowed 'General case' 0 CA--C 1.566 1.592 0 O-C-N 124.366 1.041 . . . . 99.99 110.187 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . 0.645 ' H ' HG22 ' E' ' 238' ' ' THR . . . -146.64 -48.49 0.19 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 121.697 -0.627 . . . . 99.99 109.903 169.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 76.98 -69.71 2.42 Favored Glycine 0 C--N 1.348 1.228 0 N-CA-C 110.727 -0.949 . . . . 99.99 110.727 -172.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 72.21 114.46 0.06 Allowed 'General case' 0 C--O 1.244 0.766 0 C-N-CA 125.789 1.635 . . . . 99.99 113.366 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -153.46 93.98 1.75 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-N 114.346 -1.297 . . . . 99.99 107.858 166.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.586 ' HG2' ' H ' ' E' ' 245' ' ' LYS . 61.6 tt0 71.92 145.18 0.07 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.961 1.304 . . . . 99.99 112.391 172.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -87.23 -27.99 26.48 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.659 -0.701 . . . . 99.99 111.635 170.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.586 ' H ' ' HG2' ' E' ' 243' ' ' GLN . 57.6 tptt 72.95 -91.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.572 1.549 . . . . 99.99 109.165 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' E' ' 248' ' ' ARG . 68.4 p 49.9 -153.54 0.13 Allowed 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 125.035 1.334 . . . . 99.99 114.06 171.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 20.8 tp -70.79 -9.04 56.6 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.309 1.044 . . . . 99.99 113.352 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.451 ' HD2' ' OG1' ' E' ' 246' ' ' THR . 0.0 OUTLIER -45.01 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.185 1.92 . . . . 99.99 116.185 -172.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.88 -36.34 67.52 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 119.335 0.971 . . . . 99.99 112.17 170.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -47.3 86.35 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.127 0.971 . . . . 99.99 111.026 171.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.18 70.87 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.569 -0.741 . . . . 99.99 111.077 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -42.97 68.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.478 1.111 . . . . 99.99 108.525 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.73 74.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.296 1.038 . . . . 99.99 110.907 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -66.36 -75.36 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.386 -0.824 . . . . 99.99 109.418 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 68.42 32.55 75.63 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.044 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.11 86.54 2.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.461 0.648 . . . . 99.99 110.883 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -84.38 -20.66 31.55 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.764 -1.107 . . . . 99.99 109.15 167.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 7.1 mp -75.16 -22.2 58.26 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.245 1.018 . . . . 99.99 110.976 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.1 133.23 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 108.231 -1.026 . . . . 99.99 108.231 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 88.2 p 54.65 40.7 32.05 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.847 1.259 . . . . 99.99 109.722 -166.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.17 146.35 43.72 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.161 -1.836 . . . . 99.99 112.164 -177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -79.63 -31.46 41.61 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.561 0.744 . . . . 99.99 111.777 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' D' ' 33' ' ' GLN . . . -69.31 -28.33 66.17 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.289 0.566 . . . . 99.99 110.778 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 16.4 m -85.39 -39.68 17.32 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.397 -0.819 . . . . 99.99 109.405 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.2 22.77 13.05 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.293 1.437 . . . . 99.99 109.781 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.4 m120 70.3 -52.69 0.65 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.809 1.644 . . . . 99.99 110.858 -166.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 15.5 t 75.34 175.74 0.23 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.329 1.852 . . . . 99.99 110.917 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.68 124.66 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 123.605 0.762 . . . . 99.99 110.999 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.8 t -104.98 -147.75 0.4 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 108.27 -1.011 . . . . 99.99 108.27 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.54 97.7 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.635 0.774 . . . . 99.99 109.099 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -93.55 2.27 56.46 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 117.118 -1.42 . . . . 99.99 114.25 -166.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -38.55 -43.35 0.85 Allowed 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 124.824 1.25 . . . . 99.99 113.666 -166.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -82.19 65.61 7.39 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' C' ' 53' ' ' ASP . 54.7 mt-30 -69.11 -39.72 78.77 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 116.247 -0.433 . . . . 99.99 110.637 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -109.72 124.63 33.17 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.331 -0.395 . . . . 99.99 109.941 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.544 ' HG3' ' HA ' ' C' ' 54' ' ' ASP . 36.4 Cg_endo -88.65 -159.7 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 123.064 2.509 . . . . 99.99 110.262 157.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' E' ' 277' ' ' LEU . 0.3 OUTLIER -53.06 123.03 10.56 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.22 1.008 . . . . 99.99 112.248 168.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -163.98 129.13 2.88 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 107.825 -1.176 . . . . 99.99 107.825 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -160.66 -78.19 0.03 OUTLIER Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.139 -0.384 . . . . 99.99 112.139 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.14 140.81 29.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.082 0.553 . . . . 99.99 110.026 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.37 -74.64 0.32 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.961 1.304 . . . . 99.99 107.809 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . 0.53 ' HB3' HG21 ' C' ' 46' ' ' THR . . . -175.77 105.24 0.08 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.349 1.06 . . . . 99.99 108.863 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.42 -56.36 3.67 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.926 -0.768 . . . . 99.99 108.926 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -160.22 50.22 0.37 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.166 -1.574 . . . . 99.99 109.166 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -89.77 -35.96 15.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 114.236 -0.982 . . . . 99.99 110.859 -170.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' E' ' 286' ' ' MET . 0.6 OUTLIER -78.34 113.91 38.07 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.178 0.991 . . . . 99.99 111.79 -175.357 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -76.58 -10.11 18.65 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 122.911 2.408 . . . . 99.99 111.526 171.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' C' ' 42' ' ' LEU . 91.2 t 70.56 -69.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 126.075 1.75 . . . . 99.99 110.945 -174.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.56 ' NH2' ' HB3' ' E' ' 147' ' ' HIS . 0.0 OUTLIER 64.96 95.98 0.05 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.962 1.305 . . . . 99.99 109.134 -174.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.459 ' HH2' HD21 ' C' ' 126' ' ' LEU . 35.7 t-105 -79.18 119.44 22.27 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.49 -0.93 . . . . 99.99 108.49 169.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.37 101.85 3.01 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.209 0.943 . . . . 99.99 110.298 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 90.0 -176.88 42.72 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.71 -0.495 . . . . 99.99 113.825 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.82 -59.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.045 2.496 . . . . 99.99 112.862 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' C' ' 37' ' ' GLN . 14.3 ptmm? -166.29 140.83 4.38 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.007 0.923 . . . . 99.99 109.479 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.62 29.29 4.81 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.858 0.863 . . . . 99.99 108.956 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.585 HG22 ' HD1' ' E' ' 297' ' ' TYR . 2.8 m -144.19 145.36 32.04 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.02 -0.991 . . . . 99.99 109.081 -171.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' E' ' 296' ' ' THR . 2.1 m-85 64.02 102.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.727 1.211 . . . . 99.99 110.831 -177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -149.41 134.63 18.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.453 0.301 . . . . 99.99 110.706 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 82.44 -66.54 3.88 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 123.862 0.726 . . . . 99.99 111.842 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -157.55 168.84 26.14 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.86 -1.163 . . . . 99.99 107.86 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.31 157.19 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 167.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . 0.472 ' HB3' HH22 ' D' ' 15' ' ' ARG . 24.2 t70 -56.13 121.42 9.38 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 172.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -63.23 135.88 96.44 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.714 0.805 . . . . 99.99 110.785 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -42.25 114.13 0.36 Allowed 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.101 2.534 . . . . 99.99 112.391 163.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -65.58 -26.75 67.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.824 0.85 . . . . 99.99 112.762 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.573 HG22 ' HB1' ' B' ' 129' ' ' ALA . 64.1 t -79.43 122.09 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 109.017 -0.734 . . . . 99.99 109.017 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 13.7 t -135.18 147.89 49.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.302 0.641 . . . . 99.99 110.628 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.87 157.28 26.36 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.02 0.928 . . . . 99.99 110.117 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 30.9 p -129.57 75.35 79.97 Favored Pre-proline 0 CA--C 1.558 1.256 0 C-N-CA 124.356 1.062 . . . . 99.99 110.099 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -81.93 -3.58 11.76 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 122.467 2.111 . . . . 99.99 112.405 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -100.63 161.11 24.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.44 1.496 . . . . 99.99 110.054 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.44 -177.95 2.71 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.582 2.188 . . . . 99.99 111.338 171.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -83.39 -50.55 8.22 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 122.385 -0.197 . . . . 99.99 110.795 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.67 68.95 0.24 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.201 0.524 . . . . 99.99 110.272 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 74.54 -55.09 0.66 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.691 1.596 . . . . 99.99 111.719 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 72.86 96.21 0.07 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.375 1.47 . . . . 99.99 110.321 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 32.8 t -65.15 134.67 54.23 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.225 1.01 . . . . 99.99 111.456 -176.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.66 125.56 90.82 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 123.247 0.619 . . . . 99.99 111.061 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.98 61.81 8.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.977 2.451 . . . . 99.99 111.591 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 26.5 m -83.89 111.9 19.65 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.583 -0.735 . . . . 99.99 110.575 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 7.2 tt 76.52 -64.8 0.33 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.589 1.556 . . . . 99.99 112.452 165.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' E' ' 326' ' ' ASP . . . -88.04 -52.76 5.08 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.705 0.802 . . . . 99.99 111.903 -175.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.531 ' HG2' ' H ' ' E' ' 324' ' ' MET 0.276 1.3 pm0 37.45 -92.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.869 1.668 . . . . 99.99 113.449 -165.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.531 ' H ' ' HG2' ' E' ' 323' ' ' GLN . 0.0 OUTLIER -80.13 -37.09 34.24 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.373 0.533 . . . . 99.99 110.627 -173.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.6 t -108.23 99.47 8.88 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.575 0.702 . . . . 99.99 109.627 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.551 ' HA ' ' HB1' ' E' ' 322' ' ' ALA . 28.1 t70 -57.84 -43.06 85.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.171 0.988 . . . . 99.99 111.592 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.53 ' HB3' HG12 ' E' ' 329' ' ' ILE . 38.2 tttm -163.02 172.55 14.83 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.197 0.311 . . . . 99.99 110.64 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.08 3.6 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.588 0.755 . . . . 99.99 112.437 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.53 HG12 ' HB3' ' E' ' 327' ' ' LYS . 36.8 pt -60.43 -26.25 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 123.417 0.687 . . . . 99.99 110.825 168.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.783 ' HB3' ' HB2' ' E' ' 337' ' ' LYS . 31.9 mt-10 -82.13 -17.58 45.91 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 125.052 1.341 . . . . 99.99 112.216 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 25.9 tp -82.1 -14.57 55.59 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.22 -0.9 . . . . 99.99 109.691 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.87 -178.78 7.23 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.696 0.798 . . . . 99.99 110.86 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 82.8 p 58.5 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.777 2.031 . . . . 99.99 112.75 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -135.27 16.46 3.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.655 0.782 . . . . 99.99 111.67 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' E' ' 339' ' ' PHE . 10.4 m120 59.63 29.55 19.12 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.727 0.811 . . . . 99.99 110.846 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -56.09 -46.21 79.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.184 0.994 . . . . 99.99 113.5 -165.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.783 ' HB2' ' HB3' ' E' ' 330' ' ' GLU . 72.8 mmtt -105.61 -22.63 12.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.647 0.379 . . . . 99.99 110.72 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -78.9 -36.46 28.43 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 123.366 0.416 . . . . 99.99 113.363 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . 0.478 ' HB2' ' HB3' ' E' ' 335' ' ' ASN . 89.9 t80 -95.26 148.93 21.88 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.091 0.957 . . . . 99.99 109.779 -177.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -142.86 -170.51 3.25 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 99.99 109.364 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.51 88.21 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.354 0.661 . . . . 99.99 110.538 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -90.41 78.07 6.46 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.975 0.91 . . . . 99.99 110.633 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.42 128.69 48.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 114.461 -1.245 . . . . 99.99 108.443 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.92 149.57 21.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.709 0.403 . . . . 99.99 109.982 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -99.68 14.55 60.43 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.884 -0.598 . . . . 99.99 111.623 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -79.13 84.49 5.1 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.835 0.854 . . . . 99.99 110.548 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 34.0 p -116.35 16.71 15.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.491 1.117 . . . . 99.99 109.46 173.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.2 mp -79.03 110.75 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.751 -0.833 . . . . 99.99 108.751 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.85 156.02 38.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.244 0.617 . . . . 99.99 109.797 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -43.42 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.497 1.519 . . . . 99.99 112.569 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -78.71 -24.58 44.86 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.346 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -69.91 86.3 0.52 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.93 0.871 . . . . 99.99 109.4 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.46 -62.77 1.29 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.322 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -165.06 24.51 0.06 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.529 0.732 . . . . 99.99 109.975 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 74.47 -23.95 0.22 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.043 1.737 . . . . 99.99 113.72 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 7.6 t30 58.28 96.15 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 124.724 1.21 . . . . 99.99 110.817 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.32 82.45 0.29 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.008 2.472 . . . . 99.99 112.456 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.1 p -81.95 -29.9 31.98 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.006 0.922 . . . . 99.99 110.804 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.58 -24.75 21.84 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.889 -0.596 . . . . 99.99 113.194 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 63.67 -81.76 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.099 1.36 . . . . 99.99 110.281 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 13.6 tt -101.6 26.6 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 CA-C-O 122.021 0.915 . . . . 99.99 109.613 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -64.19 -25.97 70.09 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-N 115.292 -0.867 . . . . 99.99 113.201 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.02 -34.27 77.71 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.731 0.812 . . . . 99.99 110.084 174.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 18.5 m 58.92 71.18 0.6 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.786 1.234 . . . . 99.99 111.562 171.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 74.8 t -124.53 119.66 56.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 C-N-CA 123.768 0.827 . . . . 99.99 108.868 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -82.59 84.47 7.24 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.279 0.632 . . . . 99.99 109.465 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.91 -4.55 50.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.038 0.935 . . . . 99.99 112.141 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 6.6 p-10 -61.84 -33.26 73.83 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.524 0.729 . . . . 99.99 111.945 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.72 -28.34 68.35 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 111.756 0.28 . . . . 99.99 111.756 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.72 86.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.751 0.42 . . . . 99.99 110.774 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.32 -21.76 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.145 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 79.2 mt-30 -63.35 -50.92 68.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.59 0.356 . . . . 99.99 110.559 172.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -40.99 91.87 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.399 -0.364 . . . . 99.99 110.487 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -67.13 -28.36 68.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.213 0.605 . . . . 99.99 111.924 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.14 -41.81 85.48 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.117 0.967 . . . . 99.99 108.607 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.18 -31.53 66.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.416 -0.811 . . . . 99.99 111.587 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -77.64 -19.06 56.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.018 0.527 . . . . 99.99 110.727 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -67.77 -39.55 84.11 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.221 0.534 . . . . 99.99 109.872 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -69.2 -49.38 57.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 114.855 -1.066 . . . . 99.99 109.216 172.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' E' ' 380' ' ' LYS . 10.5 mmpt? -98.9 57.64 1.11 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 114.345 -1.298 . . . . 99.99 109.929 -175.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.7 125.3 23.87 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.639 -0.71 . . . . 99.99 109.372 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -71.94 80.92 0.56 Allowed Glycine 0 C--N 1.347 1.165 0 O-C-N 124.095 0.872 . . . . 99.99 113.571 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.12 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.487 1.515 . . . . 99.99 112.534 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.1 p -82.58 176.23 9.54 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.219 -0.66 . . . . 99.99 109.219 165.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.86 97.01 1.33 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.958 -1.127 . . . . 99.99 107.958 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.21 131.1 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.993 0.517 . . . . 99.99 111.273 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 2.2 mp -112.06 113.69 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.369 -1.345 . . . . 99.99 107.369 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 6.4 p -71.09 112.58 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.943 -0.762 . . . . 99.99 108.943 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 58.6 p -74.83 132.24 41.38 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.465 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -121.31 120.06 34.0 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.779 1.231 . . . . 99.99 108.017 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.55 156.7 36.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.201 0.6 . . . . 99.99 110.019 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -78.58 -36.6 44.15 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.557 0.743 . . . . 99.99 112.295 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.93 6.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.745 0.418 . . . . 99.99 111.228 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -65.83 -46.92 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.761 0.824 . . . . 99.99 110.52 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -165.7 105.07 0.71 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.538 0.735 . . . . 99.99 109.992 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 58.6 p -151.46 -75.93 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.829 0.452 . . . . 99.99 110.785 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -131.47 10.73 4.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.901 0.88 . . . . 99.99 110.032 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.84 -16.18 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.406 0 C-N-CA 123.706 0.802 . . . . 99.99 111.431 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 14.0 p -138.22 141.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.486 0.714 . . . . 99.99 109.735 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 71.33 148.36 0.12 Allowed Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 125.501 1.52 . . . . 99.99 113.218 173.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 130.45 22.92 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 122.463 2.108 . . . . 99.99 111.659 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -140.25 99.48 3.67 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.831 0.852 . . . . 99.99 108.95 -172.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 2.0 m -140.79 -60.99 0.5 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.652 0.263 . . . . 99.99 110.41 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.482 ' HG2' ' HD2' ' E' ' 406' ' ' PRO . 0.0 OUTLIER -169.14 169.3 9.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.352 0.661 . . . . 99.99 110.024 -176.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.15 6.4 Favored Pre-proline 0 CA--C 1.565 1.521 0 CA-C-O 118.526 -0.75 . . . . 99.99 112.959 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' E' ' 404' ' ' LYS . 6.1 Cg_exo -76.09 -169.5 0.7 Allowed 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 122.419 2.079 . . . . 99.99 113.398 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -70.99 -39.85 63.12 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-N 115.565 -0.743 . . . . 99.99 112.033 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.43 -109.57 0.21 Allowed 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 118.445 -0.788 . . . . 99.99 109.173 173.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 37.9 m 64.03 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.679 1.192 . . . . 99.99 111.692 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.42 133.11 34.68 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.523 0.729 . . . . 99.99 109.461 -176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 66.97 16.8 10.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.793 1.237 . . . . 99.99 112.997 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.482 HD21 ' H ' ' D' ' 69' ' ' GLY . 7.8 mp 61.78 -147.41 0.4 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 124.496 1.119 . . . . 99.99 109.587 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -164.62 129.24 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.083 0.856 . . . . 99.99 110.712 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 22.8 p -62.57 -58.68 6.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.752 1.221 . . . . 99.99 112.041 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -82.28 11.24 5.62 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.088 -0.96 . . . . 99.99 111.439 -170.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.08 -37.53 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.915 0.886 . . . . 99.99 109.456 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.66 -38.3 3.38 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 110.633 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.51 7.38 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.982 1.313 . . . . 99.99 111.691 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.11 71.28 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 CA-C-O 123.183 1.468 . . . . 99.99 109.594 -176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 36.7 ttp -89.66 90.29 8.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.059 -1.428 . . . . 99.99 107.845 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.53 HG22 ' H ' ' E' ' 422' ' ' MET . 9.3 p -82.47 -152.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.882 0 CA-C-N 114.185 -1.37 . . . . 99.99 109.09 -176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . 0.53 ' H ' HG22 ' E' ' 421' ' ' VAL . 84.8 mtp 70.79 -159.04 0.14 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.84 1.256 . . . . 99.99 109.897 -172.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 29.0 m 69.03 -178.07 0.22 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.491 1.117 . . . . 99.99 110.231 -169.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -85.79 -83.32 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.642 -0.503 . . . . 99.99 109.642 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 64.03 -130.91 39.25 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.107 0.255 . . . . 99.99 113.466 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -87.68 22.19 2.35 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.169 0.988 . . . . 99.99 111.294 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 46.8 t -84.44 59.02 5.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.845 0.858 . . . . 99.99 109.805 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 64.55 7.67 3.87 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.263 1.425 . . . . 99.99 113.723 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -83.02 -19.92 36.02 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.305 0.574 . . . . 99.99 110.059 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.26 -10.74 7.43 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.368 1.067 . . . . 99.99 112.257 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 42.6 m -62.25 -16.55 54.34 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.963 0.905 . . . . 99.99 112.123 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -75.29 -0.01 18.18 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.622 0.769 . . . . 99.99 112.474 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.508 ' HA ' ' NH1' ' C' ' 61' ' ' ARG . 10.6 pt-20 -69.88 169.08 13.85 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.351 0.66 . . . . 99.99 111.527 175.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 51.55 54.48 10.96 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.453 1.101 . . . . 99.99 113.487 160.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 12.1 m -141.27 51.68 1.58 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 122.326 1.06 . . . . 99.99 109.181 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . 0.473 ' HA3' ' H ' ' C' ' 44' ' ' LEU . . . -86.88 -122.53 1.52 Allowed Glycine 0 C--N 1.344 1.012 0 CA-C-N 114.504 -1.225 . . . . 99.99 112.503 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 66.4 m -144.33 104.45 4.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.236 0.614 . . . . 99.99 110.189 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -152.36 94.33 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 99.99 109.624 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.484 HD13 HG22 ' E' ' 154' ' ' ILE . 46.2 tp -174.34 -49.31 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 99.99 108.48 170.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -80.79 -64.23 1.23 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.805 -0.634 . . . . 99.99 109.976 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' E' ' 289' ' ' ARG . 49.4 mm 57.58 -82.37 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 125.241 1.416 . . . . 99.99 109.206 -172.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 60.88 -74.38 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.778 1.631 . . . . 99.99 113.057 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . 57.27 62.31 2.23 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.977 1.311 . . . . 99.99 110.839 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -87.19 -25.97 23.79 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.605 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -68.82 141.77 37.0 Favored Glycine 0 C--N 1.356 1.671 0 CA-C-O 118.448 -1.195 . . . . 99.99 111.787 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -52.74 161.66 2.95 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 124.173 3.249 . . . . 99.99 115.772 -172.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -117.34 12.67 14.35 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.672 0.789 . . . . 99.99 110.5 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -63.68 120.51 11.95 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.61 0.764 . . . . 99.99 110.697 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -146.09 -159.57 1.03 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.312 1.045 . . . . 99.99 109.088 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.79 85.84 1.69 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.846 0.831 . . . . 99.99 109.164 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.02 142.64 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.762 -1.108 . . . . 99.99 110.172 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.534 HG21 ' SG ' ' A' ' 97' ' ' CYS . 17.4 m -109.75 -155.63 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.882 0.873 . . . . 99.99 110.412 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -153.56 174.82 32.11 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.852 -0.499 . . . . 99.99 111.852 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 56' ' ' TYR . 59.9 tp -118.06 144.29 45.72 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.26 -1.015 . . . . 99.99 108.26 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 4.4 t -162.33 -54.6 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.657 0.783 . . . . 99.99 109.584 174.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.17 162.94 13.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.202 1.001 . . . . 99.99 108.871 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -96.02 148.86 22.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.222 0.609 . . . . 99.99 110.595 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 38.2 p -119.19 7.03 11.24 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.398 0.679 . . . . 99.99 110.661 169.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 23.2 t70 68.76 166.33 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.593 1.157 . . . . 99.99 112.184 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.551 HD22 ' H ' ' E' ' 460' ' ' LEU . 1.8 mm? -65.07 140.91 58.88 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.097 0.959 . . . . 99.99 108.546 175.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 133' ' ' PHE . 33.0 p90 -131.48 29.96 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.471 0.308 . . . . 99.99 111.812 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 52.9 t80 68.5 141.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.567 1.147 . . . . 99.99 112.587 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . 0.541 ' HB ' HG13 ' A' ' 131' ' ' VAL . 28.3 m -149.73 -68.95 0.2 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.569 1.148 . . . . 99.99 108.105 166.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . . . . . . . . . 3.0 tpt 43.72 85.98 0.02 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.865 1.266 . . . . 99.99 111.859 -172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -90.03 98.26 11.67 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.295 -0.631 . . . . 99.99 109.295 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . 67.54 -172.54 0.19 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.314 1.446 . . . . 99.99 112.089 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -139.25 178.08 7.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.646 0.778 . . . . 99.99 109.612 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 129' ' ' ALA . 1.4 pt? -122.52 141.49 51.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.708 0.803 . . . . 99.99 109.722 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.11 116.39 4.46 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 110.511 -1.036 . . . . 99.99 110.511 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.454 ' HA ' HG22 ' E' ' 133' ' ' THR . 2.0 tt -73.64 96.29 2.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.344 -0.614 . . . . 99.99 109.344 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 C-N-CA 124.396 1.078 . . . . 99.99 110.403 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.964 -0.384 . . . . 99.99 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 61.25 -146.48 0.44 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.743 0.817 . . . . 99.99 109.597 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 64.09 70.54 0.5 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.836 0.855 . . . . 99.99 110.778 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 74.84 -37.48 0.35 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.419 1.487 . . . . 99.99 112.46 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.28 76.49 0.53 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 124.365 1.066 . . . . 99.99 109.404 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 44.23 70.7 0.3 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.825 1.65 . . . . 99.99 110.553 -173.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -58.59 -73.78 0.07 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.434 -0.803 . . . . 99.99 109.915 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -137.97 -86.9 0.27 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.457 -1.312 . . . . 99.99 107.457 166.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.0 ptp 173.67 134.19 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.701 1.6 . . . . 99.99 108.585 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -175.95 145.12 0.64 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.557 0.577 . . . . 99.99 112.557 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -136.99 120.33 16.89 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 106.965 -1.494 . . . . 99.99 106.965 162.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -146.98 134.15 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.658 0.383 . . . . 99.99 110.094 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mt -70.29 104.95 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 109.018 -0.734 . . . . 63.61 109.018 173.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -79.45 -40.33 30.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 99.99 108.965 174.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.406 HH21 ' HG1' ' B' ' 122' ' ' THR . 63.5 ttt180 -168.79 127.65 1.08 Allowed 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.892 -0.595 . . . . 87.02 110.684 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.0 mt -108.44 133.18 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.279 -1.008 . . . . 27.8 108.279 168.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.53 157.4 19.55 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.552 0.741 . . . . 37.37 111.184 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -92.8 116.69 29.26 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.241 -0.652 . . . . 12.57 109.241 174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -83.28 -32.9 26.15 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.733 -0.469 . . . . 37.56 109.733 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 13.8 t70 -145.99 132.8 20.06 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.095 -0.957 . . . . 38.09 109.345 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 78' ' ' VAL . 42.8 mt -131.79 125.7 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.464 -1.68 . . . . 5.43 106.464 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 t -140.94 136.83 32.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.808 -0.812 . . . . 6.92 108.808 -169.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 57.0 t80 -146.7 117.43 7.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.468 -1.678 . . . . 5.61 106.468 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.32 110.28 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.025 -0.731 . . . . 36.27 109.025 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.93 81.76 56.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.935 -1.135 . . . . 12.68 107.935 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.03 -33.46 31.99 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 122.675 2.25 . . . . 32.78 111.113 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' HIS . 91.6 m-20 -102.66 28.08 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.411 -1.268 . . . . 80.05 110.084 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -56.2 -44.9 99.92 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.728 0.811 . . . . 31.49 111.895 169.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 -28.05 57.21 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.437 1.425 . . . . 44.68 112.59 172.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 14.2 m170 -74.92 -31.77 61.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.582 0.753 . . . . 99.99 111.362 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' ALA . 16.7 m -67.26 -12.04 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 112.642 0.608 . . . . 99.99 112.642 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -80.78 -35.87 32.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.594 0.758 . . . . 99.99 110.097 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -97.91 -33.54 11.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.77 0.828 . . . . 99.99 112.204 -173.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.1 171.14 14.04 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.135 0.574 . . . . 99.99 111.138 -172.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.57 122.23 16.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.454 0.702 . . . . 99.99 110.395 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -84.96 74.63 10.49 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.582 0.706 . . . . 99.99 109.695 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.17 56.43 2.41 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.109 -0.95 . . . . 99.99 110.431 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG2' ' HG ' ' E' ' 470' ' ' LEU . 72.6 Cg_endo -77.28 161.23 32.18 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 121.547 1.498 . . . . 57.34 112.064 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pp20? -96.09 127.37 42.05 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.595 -0.891 . . . . 99.99 108.595 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG21 HD12 ' E' ' 468' ' ' LEU . 16.7 t -86.11 102.13 11.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.729 -0.841 . . . . 48.36 108.729 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HB3' ' HB ' ' A' ' 65' ' ' THR . 58.1 tttm -86.07 114.34 22.86 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.117 -1.068 . . . . 99.99 108.117 169.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mp -96.98 107.04 19.49 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 106.942 -1.503 . . . . 97.85 106.942 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -120.05 128.57 53.62 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 107.273 -1.38 . . . . 85.15 107.273 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -140.55 154.41 46.52 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 118.251 0.478 . . . . 99.99 110.548 -173.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -149.94 150.72 32.27 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.549 -1.205 . . . . 78.84 109.734 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -137.22 136.96 38.59 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.329 1.052 . . . . 43.33 109.185 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.13 46.34 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.104 0.962 . . . . 41.53 108.864 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 p -109.25 155.9 20.57 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.31 0.644 . . . . 88.8 109.574 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -147.18 119.25 8.22 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.235 -1.024 . . . . 73.87 108.235 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -79.71 106.56 11.83 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 57' ' ' GLU . 46.9 mt -82.01 -47.31 12.81 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.523 -0.762 . . . . 99.99 109.169 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.01 -174.44 4.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.444 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -68.16 118.57 11.46 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 108.571 -0.899 . . . . 99.99 108.571 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.77 18.49 9.73 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.55 1.14 . . . . 99.99 112.416 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.88 122.08 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 108.671 -0.863 . . . . 99.99 108.671 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -141.25 141.55 33.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.189 0.519 . . . . 99.99 110.158 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 51' ' ' LEU . 27.3 tt0 -95.15 131.74 40.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.416 1.086 . . . . 57.04 109.025 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.14 112.9 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.827 -1.175 . . . . 54.22 107.827 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 59.9 t -99.02 115.77 40.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.21 -0.663 . . . . 29.36 109.21 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -94.02 109.15 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.571 -1.27 . . . . 19.86 107.571 175.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -100.51 101.56 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.96 -0.756 . . . . 99.99 108.96 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 32.3 t -94.6 129.0 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.427 -0.953 . . . . 13.6 108.427 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.6 m -117.47 137.21 52.68 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.878 0.847 . . . . 17.22 109.218 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 67.7 t -131.37 107.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.069 -1.456 . . . . 14.92 107.069 -174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 41' ' ' LYS . 17.6 m -111.38 144.81 39.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.243 -0.651 . . . . 21.43 109.243 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' A' ' 39' ' ' GLU . . . -136.49 124.83 23.29 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.33 -0.989 . . . . 23.61 108.33 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.3 m -134.86 132.93 39.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.036 0.38 . . . . 57.75 111.134 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -85.52 85.44 7.43 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.788 -1.19 . . . . 99.99 107.788 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.26 -86.71 0.8 Allowed Glycine 0 C--N 1.344 1.008 0 CA-C-N 114.375 -1.284 . . . . 93.1 111.257 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -114.64 -28.55 7.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.632 0.773 . . . . 99.99 110.498 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -93.54 122.94 36.5 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.076 0.55 . . . . 99.99 109.702 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 86.6 m -72.47 130.85 41.63 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.816 0.341 . . . . 30.12 111.385 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.26 -58.38 3.32 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.692 1.197 . . . . 22.88 109.706 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.99 167.61 29.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.059 -0.973 . . . . 30.01 110.985 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.4 tp -139.72 136.46 34.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.665 1.186 . . . . 14.44 108.414 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 118' ' ' VAL . 36.8 m -132.6 138.98 47.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 14.43 109.08 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.2 tt0 -150.01 131.6 14.87 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 122.915 0.486 . . . . 35.14 110.016 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 21' ' ' ILE . 79.6 t -132.79 120.05 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 109.12 -0.696 . . . . 9.47 109.12 177.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 73.8 mt-30 -95.32 84.79 4.1 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.047 0.939 . . . . 43.33 109.207 174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -77.1 96.35 4.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.653 -1.158 . . . . 15.31 109.747 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -84.87 145.64 21.76 Favored Glycine 0 C--N 1.342 0.871 0 N-CA-C 111.496 -0.641 . . . . 20.02 111.496 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.4 120.2 1.07 Allowed Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.119 -0.792 . . . . 41.88 111.119 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.1 mt -82.95 130.41 35.77 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 108.7 -0.852 . . . . 66.87 108.7 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 53.7 m-85 -132.59 154.19 50.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.096 0.959 . . . . 77.52 108.864 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.5 m -85.63 124.75 32.52 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.784 0.834 . . . . 99.99 109.211 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD12 HG23 ' E' ' 452' ' ' VAL . 9.7 tp -117.32 136.87 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.566 0.347 . . . . 99.99 111.873 -175.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.84 159.92 0.87 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.933 0.893 . . . . 99.99 111.348 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.8 -39.01 2.74 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.971 -1.013 . . . . 99.99 113.584 163.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 90' ' ' GLU . 8.5 mt -143.32 172.87 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.746 -1.205 . . . . 99.99 107.746 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -163.03 -160.81 0.65 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.054 0.942 . . . . 99.99 110.462 176.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.99 -161.26 54.39 Favored Glycine 0 C--N 1.35 1.312 0 C-N-CA 123.985 0.803 . . . . 99.99 114.261 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 t -73.52 -26.3 60.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.125 0.57 . . . . 99.99 111.448 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.47 -35.84 80.58 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.326 0.65 . . . . 99.99 110.216 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 32.4 mmt -86.42 -13.23 46.89 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.326 1.232 . . . . 99.99 114.326 173.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.11 -26.43 49.77 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.338 0.517 . . . . 99.99 112.238 177.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -84.11 -18.71 35.96 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.425 0.528 . . . . 99.99 112.425 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.406 ' SG ' HG12 ' E' ' 452' ' ' VAL . 49.5 t -63.55 -57.95 8.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.779 0.431 . . . . 99.99 110.227 176.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -10.33 59.64 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.443 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.59 -8.36 49.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-O 119.617 -0.546 . . . . 99.99 114.005 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' A' ' 133' ' ' PHE . . . -134.73 -65.38 0.63 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 118.229 1.015 . . . . 95.56 111.119 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.91 -52.93 62.93 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.389 0.676 . . . . 94.48 111.939 -170.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 27.4 m -65.48 -48.36 66.49 Favored Pre-proline 0 CA--C 1.567 1.633 0 C-N-CA 123.618 0.767 . . . . 73.2 112.235 -176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -64.98 -33.34 51.76 Favored 'Trans proline' 0 C--N 1.391 2.793 0 C-N-CA 121.686 1.59 . . . . 48.9 113.641 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -71.49 -22.18 61.83 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.739 0.699 . . . . 94.19 112.588 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.7 tp -85.8 -24.63 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-O 121.269 0.556 . . . . 55.88 110.14 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.8 mt -81.23 -20.01 41.96 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.143 0.977 . . . . 21.71 111.214 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 128' ' ' LEU . 16.3 t80 -69.32 -38.23 10.13 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 113.826 1.047 . . . . 15.39 113.826 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.52 -35.9 97.21 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 121.93 1.754 . . . . 9.95 113.283 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.68 -41.76 44.24 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.524 0.73 . . . . 20.66 111.628 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.89 89.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 109.704 -0.48 . . . . 7.34 109.704 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.742 HH22 ' HG3' ' A' ' 130' ' ' PRO . 37.4 ttm180 -52.06 -57.19 10.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.187 1.395 . . . . 15.45 110.857 177.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.12 -42.37 98.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.096 0.873 . . . . 46.26 111.123 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -62.13 -33.61 74.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.989 0.515 . . . . 4.41 111.357 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.16 -51.67 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.912 0.885 . . . . 7.34 109.788 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 m -59.83 -30.22 68.79 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 124.611 1.164 . . . . 7.28 110.806 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 t -70.74 -60.88 2.0 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.194 0.998 . . . . 4.96 110.326 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -68.5 -30.68 69.55 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.363 0.665 . . . . 48.88 112.774 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.586 HG12 ' SG ' ' A' ' 76' ' ' CYS . 32.8 m -66.6 -39.13 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 123.165 0.291 . . . . 26.6 110.241 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 t -72.92 -31.08 64.39 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.515 0.726 . . . . 17.97 110.217 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -69.61 -27.08 64.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.034 0.934 . . . . 8.38 110.149 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.58 3.23 87.06 Favored Glycine 0 C--N 1.351 1.363 0 CA-C-N 115.584 -0.735 . . . . 6.18 113.813 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.433 ' HB ' HH21 ' B' ' 15' ' ' ARG . 20.1 m 64.59 40.0 6.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 123.049 1.404 . . . . 20.1 109.98 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' HE1' HG11 ' A' ' 31' ' ' VAL . 94.8 m-85 -116.08 146.31 36.83 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-N 114.258 -1.337 . . . . 13.71 108.13 171.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -60.18 119.33 6.46 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.213 1.942 . . . . 20.05 110.85 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -62.43 148.93 44.0 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 123.531 0.519 . . . . 39.31 109.869 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.95 137.99 31.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.936 0.398 . . . . 56.76 110.791 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -105.85 97.34 7.17 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.454 -0.943 . . . . 38.41 108.454 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.434 HD22 ' HZ ' ' A' ' 107' ' ' PHE . 1.8 tt -68.87 120.85 15.43 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 109.176 -0.676 . . . . 62.97 109.176 -178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' E' ' 135' ' ' VAL . . . -68.41 141.51 93.49 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.646 0.778 . . . . 56.46 112.276 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.742 ' HG3' HH22 ' A' ' 111' ' ' ARG . 24.1 Cg_exo -62.17 148.05 93.92 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.19 2.593 . . . . 77.42 111.475 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.52 153.76 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.624 0.769 . . . . 99.99 110.106 -175.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -104.31 112.13 25.04 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.332 1.053 . . . . 99.99 111.525 -170.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.631 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 9.0 t80 -61.68 -33.88 74.76 Favored 'General case' 0 C--O 1.204 -1.335 0 CA-C-O 118.535 -0.745 . . . . 99.99 111.241 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.99 -27.81 20.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.517 0.727 . . . . 99.99 112.332 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.05 -59.14 5.84 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 123.448 0.468 . . . . 99.99 110.653 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.79 -8.27 59.68 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.234 1.014 . . . . 99.99 112.111 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.71 -39.89 56.65 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 123.57 0.748 . . . . 99.99 110.05 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.4 mmt -63.62 -35.74 81.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.718 0.771 . . . . 99.99 109.145 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -71.09 -25.96 62.83 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 113.874 -1.512 . . . . 99.99 111.94 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.65 -33.72 13.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.454 0.702 . . . . 99.99 111.506 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.29 -44.58 72.04 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.131 1.772 . . . . 99.99 112.625 -168.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -157.8 -15.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.348 -0.842 . . . . 99.99 111.444 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -76.73 -47.06 22.99 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.369 -0.604 . . . . 99.99 109.369 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 50.88 49.62 20.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 99.99 110.884 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 62.49 -152.0 0.35 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.884 -1.053 . . . . 99.99 111.064 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.533 ' HA3' ' HA ' ' A' ' 150' ' ' GLU . . . -67.46 102.79 0.85 Allowed Glycine 0 C--N 1.351 1.392 0 CA-C-N 117.804 0.274 . . . . 99.99 112.518 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -51.61 62.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.094 1.357 . . . . 99.99 112.124 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.27 -13.12 66.45 Favored Glycine 0 N--CA 1.47 0.91 0 N-CA-C 115.037 0.775 . . . . 99.99 115.037 -172.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -155.45 -46.78 0.08 Allowed 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 117.792 0.796 . . . . 99.99 112.951 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.533 ' HA ' ' HA3' ' A' ' 146' ' ' GLY . 37.8 tt0 74.12 -57.07 0.63 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.785 1.634 . . . . 99.99 111.572 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.72 160.29 43.32 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.023 -1.103 . . . . 99.99 108.023 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -71.14 75.95 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.505 0.669 . . . . 99.99 109.91 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.29 -47.24 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.042 -1.466 . . . . 99.99 107.042 -170.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.2 -103.03 0.14 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.43 -1.259 . . . . 99.99 111.034 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.717 -0.658 . . . . 99.99 109.665 -174.418 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t 64.22 -172.83 0.17 Allowed 'General case' 0 C--O 1.253 1.246 0 C-N-CA 124.527 1.131 . . . . 99.99 109.641 -171.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 67.2 171.0 0.26 Allowed 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.758 0.823 . . . . 99.99 110.571 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.51 ' N ' HE21 ' B' ' 4' ' ' GLN . 0.0 OUTLIER -105.82 13.03 30.12 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.358 -0.839 . . . . 99.99 110.894 177.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.462 ' HB2' HE21 ' B' ' 93' ' ' GLN . 9.5 t30 65.37 -72.69 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.164 1.386 . . . . 99.99 110.104 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -135.4 -70.2 0.49 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.115 0.966 . . . . 99.99 109.218 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.4 p -86.25 -73.9 0.44 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.023 0.529 . . . . 99.99 109.854 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 4' ' ' GLN . 35.8 tt0 175.09 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.264 1.426 . . . . 99.99 109.615 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.519 ' HA ' ' HA3' ' B' ' 88' ' ' GLY . 15.2 ttt 67.35 163.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.091 1.757 . . . . 99.99 111.741 -168.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.501 ' N ' ' HG2' ' B' ' 9' ' ' MET . 10.1 t -159.18 142.84 14.9 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.198 1.399 . . . . 99.99 107.258 168.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' B' ' 85' ' ' SER . 53.8 p90 -149.59 154.07 38.09 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.626 0.77 . . . . 93.55 109.14 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -148.94 137.61 21.21 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.53 -0.544 . . . . 99.99 109.53 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.669 ' H ' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -75.13 101.5 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 115.064 -0.971 . . . . 40.88 108.672 175.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.43 -39.26 39.27 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.83 -1.077 . . . . 85.25 109.895 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.433 HH21 ' HB ' ' A' ' 122' ' ' THR . 44.8 ttt180 -163.0 136.27 5.77 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.234 0.614 . . . . 95.33 110.171 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.541 ' HB ' HD21 ' D' ' 127' ' ' ASN . 56.3 mt -114.94 133.18 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 107.635 -1.246 . . . . 13.6 107.635 173.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' HE1' HG13 ' B' ' 83' ' ' ILE . 11.7 p90 -168.49 158.38 9.53 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.583 0.353 . . . . 23.1 111.764 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -85.04 129.1 34.86 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.391 0.676 . . . . 6.51 109.593 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -97.48 -36.74 10.23 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.546 0.738 . . . . 19.94 110.164 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 14.3 t70 -140.59 138.57 34.54 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.39 -0.823 . . . . 37.8 111.024 -169.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' B' ' 113' ' ' CYS . 27.5 mm -125.39 145.03 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.539 1.135 . . . . 5.14 108.256 167.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 22.7 t -150.12 125.01 9.87 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.967 -1.015 . . . . 19.25 108.544 170.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 88.0 t80 -137.85 111.58 8.23 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 106.676 -1.601 . . . . 9.84 106.676 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.77 114.31 17.1 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.376 0.67 . . . . 50.65 109.457 -172.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 86.52 2.18 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 106.481 -1.674 . . . . 18.09 106.481 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -64.9 -29.12 58.27 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.252 2.635 . . . . 31.77 113.392 -164.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 30' ' ' HIS . 6.2 p30 -125.37 35.28 4.78 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 124.58 1.152 . . . . 49.39 109.213 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . . . -40.46 -45.06 5.07 Favored Pre-proline 0 CA--C 1.577 2.006 0 N-CA-C 115.689 1.737 . . . . 51.5 115.689 -176.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.04 -48.9 10.88 Favored 'Trans proline' 0 C--N 1.394 2.925 0 C-N-CA 122.195 1.93 . . . . 70.98 112.919 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -59.8 -51.08 71.29 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.185 1.394 . . . . 99.99 112.751 -177.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' B' ' 73' ' ' ALA . 9.8 p -67.19 -11.66 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.556 0 N-CA-C 113.631 0.974 . . . . 99.99 113.631 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.71 -33.84 70.65 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.865 0.866 . . . . 99.99 112.818 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -68.07 -18.79 64.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.64 0.776 . . . . 99.99 112.622 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -92.75 105.87 17.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.378 0.671 . . . . 98.87 110.678 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -108.0 91.14 3.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.988 0.915 . . . . 99.99 110.53 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -169.69 173.43 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.06 0.944 . . . . 99.99 109.821 168.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 123.43 89.33 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 109.211 -0.663 . . . . 99.99 109.211 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.17 149.83 58.63 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.33 2.02 . . . . 63.52 113.124 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.23 105.14 1.33 Allowed 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.468 HG21 HD11 ' B' ' 126' ' ' LEU . 3.8 p -85.33 144.52 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.506 0.722 . . . . 72.1 110.179 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.419 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 21.0 ttmt -143.41 132.09 22.52 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.216 -1.402 . . . . 99.99 107.216 -172.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' E' ' 8' ' ' LEU . 0.5 OUTLIER -126.83 128.85 47.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.276 0.56 . . . . 96.73 110.018 -170.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' B' ' 63' ' ' THR . 6.6 m-20 -128.88 150.78 50.2 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.771 1.628 . . . . 92.63 107.106 175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' E' ' 8' ' ' LEU . 2.9 mm? -119.54 146.48 45.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.254 -0.647 . . . . 67.27 109.254 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.676 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 5.4 t70 -123.75 140.57 52.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.373 -1.343 . . . . 58.71 107.373 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.439 HG22 ' HG ' ' B' ' 60' ' ' LEU . 35.7 p -124.34 102.35 7.63 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.426 0.631 . . . . 66.97 109.918 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -120.11 131.33 55.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.714 -1.13 . . . . 35.64 108.359 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 m -129.66 165.99 20.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.039 0.536 . . . . 74.75 109.687 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 61.4 p -152.35 136.41 16.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.603 0.761 . . . . 43.74 109.609 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -85.21 129.0 34.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.737 -0.468 . . . . 89.61 109.737 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -100.68 -39.39 7.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.829 0.851 . . . . 71.01 110.566 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.97 -175.43 5.42 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.619 0.768 . . . . 85.91 110.609 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.49 112.69 3.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.718 -1.128 . . . . 99.99 109.229 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 68.31 6.43 5.32 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.229 1.411 . . . . 99.99 112.898 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.09 104.59 17.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.641 -1.244 . . . . 76.71 107.641 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.78 139.57 52.1 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.987 -1.006 . . . . 98.07 108.334 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -110.45 97.16 6.67 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.837 -1.542 . . . . 46.84 106.837 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.58 124.71 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.667 0.787 . . . . 57.34 109.395 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.66 135.52 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.812 0.845 . . . . 21.57 110.018 -175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' HG22 ' B' ' 46' ' ' THR . 9.3 mp -117.04 104.51 11.33 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.462 -1.31 . . . . 62.33 107.462 168.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 52.2 ttt180 -85.42 131.97 34.3 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.09 1.356 . . . . 95.32 109.444 -176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -104.3 104.67 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.448 -0.945 . . . . 14.84 108.448 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' B' ' 43' ' ' ASP . 16.0 m -97.7 108.88 21.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 28.15 109.388 -177.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' B' ' 42' ' ' LEU . 63.7 t -103.62 120.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 123.636 0.774 . . . . 18.14 109.042 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 89.1 m -103.12 137.06 41.79 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.832 -1.173 . . . . 24.35 107.832 164.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.21 134.69 40.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.715 -1.217 . . . . 26.44 107.715 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.439 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 51.9 p -134.63 144.21 47.73 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.193 0.597 . . . . 56.64 110.241 -176.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -112.76 105.15 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.203 -1.406 . . . . 62.67 107.203 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.74 -134.0 14.49 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-N 116.032 -0.531 . . . . 81.37 112.566 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 8.06 34.94 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.981 0.913 . . . . 99.99 111.113 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -126.73 149.55 49.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.338 1.055 . . . . 99.99 109.713 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 74.8 m -71.38 138.52 49.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.036 0.534 . . . . 33.32 110.473 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.75 ' HA ' HG21 ' B' ' 31' ' ' VAL . . . -92.44 -63.13 1.27 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.862 0.865 . . . . 25.99 108.82 176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.14 165.47 36.32 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.105 -0.952 . . . . 18.76 110.94 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 mt -130.14 108.98 10.47 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 106.458 -1.682 . . . . 16.93 106.458 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' B' ' 114' ' ' ILE . 38.0 t -117.34 135.79 53.6 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.27 -1.011 . . . . 12.76 108.27 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 40.7 tt0 -158.66 134.62 9.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.76 -0.459 . . . . 30.38 109.76 -166.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' B' ' 113' ' ' CYS . 57.7 t -134.71 145.5 32.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.394 -0.821 . . . . 8.91 109.076 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -106.75 109.64 21.6 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 106.913 -1.514 . . . . 33.15 106.913 163.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.544 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 7.6 tp-100 -98.96 98.12 9.21 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 105.297 -2.112 . . . . 11.26 105.297 169.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.21 149.88 21.02 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.49 -1.232 . . . . 11.78 111.13 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.2 125.24 3.46 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.161 -1.176 . . . . 23.01 110.161 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' B' ' 17' ' ' TYR . 61.7 mt -83.71 127.63 39.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.138 -1.801 . . . . 39.34 106.138 170.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HG22 ' B' ' 13' ' ' ILE . 38.1 m-85 -130.37 138.46 50.41 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.047 -0.723 . . . . 63.88 109.047 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 18.7 t -90.35 88.87 7.37 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 106.42 -1.696 . . . . 82.93 106.42 165.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.4 tt -132.46 125.67 53.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 123.887 0.875 . . . . 98.2 111.257 -161.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.82 172.82 16.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.623 0.769 . . . . 99.99 110.245 172.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' B' ' 9' ' ' MET . . . 108.07 -27.98 13.11 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.141 0.276 . . . . 99.99 112.952 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.792 HG21 ' SG ' ' B' ' 97' ' ' CYS . 5.1 pt -80.54 139.55 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 113.191 0.812 . . . . 99.99 113.191 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.477 ' HG3' ' HG2' ' E' ' 336' ' ' GLU . 0.1 OUTLIER -163.72 174.39 11.71 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.813 -1.54 . . . . 99.99 108.85 171.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.84 -129.22 21.3 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 116.105 -0.498 . . . . 99.99 113.647 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 26.5 m -81.85 -59.87 2.44 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.476 0.711 . . . . 99.99 111.863 -171.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' B' ' 5' ' ' ASN . 22.0 mt-30 -69.44 -14.94 63.16 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.982 0.734 . . . . 99.99 112.982 -171.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttt -51.35 -53.7 33.65 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.378 0.424 . . . . 99.99 111.032 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.89 -18.5 64.26 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.266 0.626 . . . . 99.99 111.903 -174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' B' ' 100' ' ' ALA . 46.6 t-80 -81.45 -32.52 32.57 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.428 0.691 . . . . 99.99 111.431 174.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' B' ' 89' ' ' ILE . 28.1 p -79.98 -68.49 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.988 -0.445 . . . . 99.99 111.192 -172.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.501 ' N ' ' SG ' ' B' ' 97' ' ' CYS . 2.0 pt? -82.71 -3.03 55.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.649 . . . . 71.23 111.265 -173.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.29 -6.01 42.44 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.462 -0.632 . . . . 59.87 113.75 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 96' ' ' HIS . . . -151.29 -55.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 117.919 0.859 . . . . 71.19 111.73 -174.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -69.97 -64.72 0.83 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.83 0.852 . . . . 99.99 111.708 -172.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 105' ' ' ILE . 55.5 m -64.87 -43.4 68.52 Favored Pre-proline 0 CA--C 1.572 1.79 0 C-N-CA 124.208 1.003 . . . . 50.37 113.268 -174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.78 0.34 8.91 Favored 'Trans proline' 0 C--N 1.394 2.973 0 C-N-CA 121.964 1.776 . . . . 36.29 113.998 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . 0.518 ' HB3' ' HB ' ' E' ' 67' ' ' ILE . 15.0 t-20 -67.33 -24.8 65.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.973 0.509 . . . . 87.59 111.0 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.506 HG21 HG21 ' B' ' 13' ' ' ILE . 17.5 tt -75.37 -24.7 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.868 0.867 . . . . 37.19 111.219 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -83.52 -36.41 24.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 13.07 110.311 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -54.03 -44.64 98.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 114.898 1.444 . . . . 99.99 114.898 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.16 -39.43 91.0 Favored 'Trans proline' 0 C--N 1.389 2.693 0 C-N-CA 122.229 1.953 . . . . 10.37 113.435 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -69.05 -45.13 71.15 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.542 0.737 . . . . 12.29 110.449 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -64.01 -37.61 88.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.269 0.628 . . . . 8.75 111.341 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -57.44 -53.39 58.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.599 1.16 . . . . 59.14 110.609 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.44 -30.83 71.27 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.113 0.565 . . . . 51.9 109.783 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' B' ' 21' ' ' ILE . 3.0 t -70.89 -27.82 64.09 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.019 0.528 . . . . 13.3 111.323 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.526 HG23 ' SG ' ' B' ' 76' ' ' CYS . 72.5 mt -79.66 -53.37 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.387 0.675 . . . . 9.86 110.264 175.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.2 m -57.18 -35.15 69.24 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.159 0.984 . . . . 13.13 111.705 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 48.0 t -61.39 -49.07 78.37 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.475 0.71 . . . . 8.02 110.678 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 21.8 mmt -67.73 -32.0 72.31 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.147 0.579 . . . . 26.78 111.549 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.28 -50.1 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.633 0.773 . . . . 13.3 111.043 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 57.8 p -71.83 -26.16 62.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.829 -0.623 . . . . 29.79 111.8 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 96.7 mtt-85 -64.12 -33.16 75.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.284 0.634 . . . . 11.55 111.257 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -87.72 14.85 57.36 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 123.256 0.347 . . . . 16.97 113.079 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.406 ' HG1' HH21 ' A' ' 15' ' ' ARG . 30.6 p 63.01 24.82 14.74 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.247 1.819 . . . . 23.15 112.838 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -90.63 152.4 44.98 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.163 0.585 . . . . 23.84 109.742 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.3 -179.01 2.83 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.924 2.416 . . . . 29.89 112.781 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -52.64 136.07 33.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.579 1.152 . . . . 99.99 113.362 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.468 HD11 HG21 ' B' ' 40' ' ' VAL . 26.3 tp -147.62 113.58 5.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.92 -1.036 . . . . 72.13 108.249 168.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -131.86 121.64 24.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.29 1.036 . . . . 73.04 108.797 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.68 146.1 24.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.436 0.695 . . . . 90.81 111.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' E' ' 304' ' ' PRO . . . -85.42 154.54 59.61 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.609 0.764 . . . . 43.15 111.473 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -73.94 77.59 2.69 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 122.691 2.26 . . . . 61.27 110.885 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.42 ' O ' HD22 ' E' ' 8' ' ' LEU . 83.6 t -87.37 109.28 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.913 -0.773 . . . . 99.57 108.913 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.448 ' H ' HG11 ' E' ' 306' ' ' VAL . 44.6 m-80 -87.63 90.57 8.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.819 -1.178 . . . . 99.99 107.819 176.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -74.02 -6.59 48.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.798 1.239 . . . . 99.99 111.835 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.423 ' HB2' ' CD2' ' B' ' 96' ' ' HIS . 4.8 p-10 -50.59 -34.66 26.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.895 1.678 . . . . 99.99 113.755 -169.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.88 62.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.393 0.677 . . . . 99.99 110.625 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.01 -45.89 82.73 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.254 -1.017 . . . . 99.99 108.254 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' B' ' 141' ' ' LEU . 19.6 t80 -61.59 -42.78 99.36 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.358 -1.292 . . . . 99.99 110.795 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.27 -37.02 85.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.427 1.091 . . . . 99.99 111.239 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -75.49 -33.98 60.84 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.321 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -71.07 -22.18 62.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.895 0.878 . . . . 99.99 111.709 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 88.2 mt -77.32 -11.71 59.86 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.646 -0.693 . . . . 99.99 112.185 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 40.38 88.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.437 1.495 . . . . 99.99 111.603 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.02 74.53 1.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 122.328 1.061 . . . . 99.99 112.233 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -174.15 -63.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.932 1.293 . . . . 99.99 108.045 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.57 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.356 1.062 . . . . 99.99 110.719 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 57.63 45.28 93.43 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 114.831 0.693 . . . . 99.99 114.831 169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.04 -21.09 27.92 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.348 0.659 . . . . 99.99 110.932 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.62 42.09 5.22 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.724 -0.671 . . . . 99.99 112.651 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 8.9 t -84.21 158.39 21.3 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.457 -0.571 . . . . 99.99 109.457 173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 51.5 90.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.478 1.111 . . . . 99.99 112.28 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 64.96 68.79 0.5 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.451 1.1 . . . . 99.99 111.438 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -161.3 -81.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.733 0.813 . . . . 99.99 110.123 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -83.94 -70.42 0.57 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.317 0.647 . . . . 99.99 110.129 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 176.48 -164.52 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.517 1.527 . . . . 99.99 108.632 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.626 0.77 . . . . 99.99 109.593 174.573 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.951 -0.759 . . . . 99.99 108.951 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -71.93 149.87 44.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.332 0.653 . . . . 99.99 109.989 172.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.99 -20.96 66.28 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.927 0.891 . . . . 99.99 112.032 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 59.65 35.5 22.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.174 0.99 . . . . 99.99 111.407 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' E' ' 444' ' ' TYR . 28.4 p-10 -61.56 -17.09 53.46 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 99.99 111.806 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -72.09 -2.42 18.41 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.088 1.355 . . . . 99.99 112.965 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -97.59 10.76 39.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.147 0.579 . . . . 99.99 110.573 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' E' ' 443' ' ' ALA . 9.2 tp10 -90.18 -78.58 0.37 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.293 -1.002 . . . . 99.99 108.293 171.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' C' ' 88' ' ' GLY . 18.1 mmt 61.7 154.51 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.006 1.322 . . . . 99.99 113.7 175.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 75.9 m -101.6 98.63 8.91 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.719 0.808 . . . . 99.99 108.966 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.431 ' HE2' ' HD1' ' C' ' 101' ' ' TYR . 1.8 t80 -118.55 123.98 46.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.578 1.151 . . . . 99.99 108.168 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.616 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.2 tp60 -143.96 126.94 16.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.796 0.438 . . . . 99.99 111.553 -172.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.438 ' HA ' ' HD2' ' C' ' 84' ' ' PHE . 45.9 mt -74.84 134.34 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 122.702 0.401 . . . . 56.3 109.937 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.67 -51.85 2.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.523 0.729 . . . . 93.16 109.491 173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 160.43 21.9 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.424 0.689 . . . . 99.99 110.99 174.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.18 140.86 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 107.619 -1.252 . . . . 11.74 107.619 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.473 ' HE1' HG12 ' C' ' 83' ' ' ILE . 18.2 p90 -171.45 166.69 6.89 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.487 0.66 . . . . 19.28 111.678 -173.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -89.42 110.08 20.93 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.46 -0.791 . . . . 6.91 109.345 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -69.76 -49.56 51.85 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.755 0.788 . . . . 21.95 108.936 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.5 t70 -135.4 142.98 45.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.382 -1.281 . . . . 50.62 108.467 -175.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.3 mt -138.93 146.88 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.363 -1.717 . . . . 5.12 106.363 173.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 43.4 t -155.34 152.0 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.372 0.606 . . . . 9.28 110.246 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -148.9 144.49 26.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.913 -1.514 . . . . 8.82 106.913 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -140.12 155.13 47.12 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.403 1.081 . . . . 30.58 108.355 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' C' ' 28' ' ' ALA . . . -153.96 84.71 4.06 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.649 -1.241 . . . . 12.04 107.649 171.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.66 -18.3 22.47 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 122.787 2.325 . . . . 30.41 112.218 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -122.34 30.87 6.36 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.369 1.068 . . . . 61.38 109.211 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.46 ' HB1' ' HE2' ' D' ' 17' ' ' TYR . . . -53.75 -46.89 98.2 Favored Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.754 1.222 . . . . 26.66 113.773 -177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 4.4 Cg_exo -79.22 -35.18 0.93 Allowed 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.872 1.715 . . . . 35.22 112.346 173.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -70.13 -26.44 63.95 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.653 0.781 . . . . 48.75 112.975 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.53 HG23 HD11 ' C' ' 68' ' ' LEU . 11.5 p -77.84 -23.46 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 122.878 0.471 . . . . 55.24 111.104 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.64 -35.85 81.99 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 122.967 0.507 . . . . 99.99 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -90.0 24.38 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.95 0.9 . . . . 97.11 111.146 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.674 ' HG2' HD13 ' C' ' 68' ' ' LEU . 0.3 OUTLIER -125.01 164.77 19.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.337 0.655 . . . . 88.6 110.783 -176.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.19 130.01 44.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.782 0.833 . . . . 99.99 109.992 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -77.57 73.43 4.14 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.894 0.878 . . . . 99.99 110.459 -171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -163.35 78.61 1.68 Allowed Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 122.937 0.495 . . . . 99.99 111.417 -173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' E' ' 296' ' ' THR . 3.1 Cg_endo -88.9 157.29 5.98 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.483 2.789 . . . . 68.93 111.293 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -88.55 100.98 13.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 115.82 -0.627 . . . . 99.99 109.416 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 ' HE1' ' E' ' 290' ' ' TRP . 2.3 p -66.4 119.58 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.238 0.615 . . . . 87.15 109.752 171.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -135.67 125.42 25.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.623 1.169 . . . . 99.99 109.022 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 128' ' ' LEU . 91.2 mt -88.57 131.96 34.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.973 0.509 . . . . 94.05 111.47 -176.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.414 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 5.8 m-20 -123.6 103.56 8.49 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 170.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.473 HD22 HG21 ' E' ' 288' ' ' VAL . 9.7 mp -108.24 148.17 30.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.247 -0.649 . . . . 71.87 109.247 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 26.7 t70 -147.22 156.43 42.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.382 1.073 . . . . 92.17 109.794 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . 0.446 HG23 ' HB2' ' E' ' 285' ' ' ASN . 68.0 p -114.56 145.9 41.4 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.316 0.646 . . . . 62.96 110.436 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -149.18 153.41 37.62 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.294 1.038 . . . . 35.73 108.731 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -162.76 170.97 17.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 122.678 0.391 . . . . 56.22 110.652 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 71.0 p -165.93 147.02 6.81 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.081 0.863 . . . . 43.42 109.614 174.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.62 117.75 20.83 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.012 -1.107 . . . . 99.99 108.012 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' C' ' 57' ' ' GLU . 60.6 mt -94.13 -34.58 12.89 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.347 0.659 . . . . 61.44 110.185 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.58 -173.08 2.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.04 -0.982 . . . . 94.06 110.458 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.93 114.54 5.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.531 -1.213 . . . . 99.99 110.014 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' C' ' 87' ' ' ALA . 31.9 m-20 65.54 24.23 11.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.704 1.202 . . . . 99.99 111.52 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.49 114.42 39.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 N-CA-C 107.781 -1.192 . . . . 81.86 107.781 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -127.74 124.94 38.99 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.38 -1.341 . . . . 99.99 107.38 -174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' C' ' 51' ' ' LEU . 40.7 tt0 -82.64 135.23 35.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.385 0.674 . . . . 35.21 109.9 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.48 114.42 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 107.766 -1.198 . . . . 29.6 107.766 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 60.6 t -120.4 133.82 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.382 -0.97 . . . . 20.9 108.382 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.488 HD12 HG22 ' C' ' 62' ' ' VAL . 0.7 OUTLIER -124.5 111.24 15.46 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.09 -1.078 . . . . 69.19 108.09 176.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 46.2 ttt180 -81.9 106.14 13.58 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.641 0.777 . . . . 99.99 109.441 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.488 HG22 HD12 ' C' ' 60' ' ' LEU . 11.5 t -101.16 117.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.439 -0.949 . . . . 14.53 108.439 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 27.2 m -123.41 135.56 54.18 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.913 -1.144 . . . . 20.42 107.913 -175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' C' ' 114' ' ' ILE . 65.9 t -120.04 125.03 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.813 0.845 . . . . 17.7 108.892 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -104.61 146.22 29.22 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.704 0.802 . . . . 29.53 109.289 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.51 110.35 7.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.462 -1.31 . . . . 32.22 107.462 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -137.69 142.95 41.07 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.161 0.505 . . . . 59.66 111.709 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' C' ' 34' ' ' LYS . 19.9 mt -88.32 54.09 2.95 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.278 1.431 . . . . 97.29 108.575 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.04 -89.96 0.95 Allowed Glycine 0 C--N 1.347 1.188 0 N-CA-C 110.503 -1.039 . . . . 76.35 110.503 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -103.84 -33.97 8.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 99.99 109.156 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.79 96.47 1.64 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.658 0.783 . . . . 77.02 110.729 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 37.9 m -71.25 112.71 7.61 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.26 0.552 . . . . 37.0 110.881 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.72 71.5 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 114.305 -1.316 . . . . 34.06 109.432 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.68 160.74 25.95 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.713 -1.13 . . . . 39.96 110.264 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.409 HD13 ' N ' ' C' ' 76' ' ' CYS . 3.3 tm? -133.99 143.63 48.25 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.578 -1.638 . . . . 16.54 106.578 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.409 ' N ' HD13 ' C' ' 75' ' ' LEU . 53.1 t -140.11 150.46 44.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.234 -1.024 . . . . 10.97 108.234 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 37.0 tt0 -157.95 140.5 14.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.069 0.548 . . . . 36.61 109.822 -176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' C' ' 110' ' ' ALA . 50.7 t -147.26 111.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.938 -1.134 . . . . 9.25 107.938 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 59.7 mt-30 -91.12 92.06 8.53 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.457 -0.942 . . . . 25.23 108.457 171.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.7 tp-100 -78.69 105.87 10.29 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.125 -0.943 . . . . 10.64 109.783 -177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.83 154.62 30.98 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.625 -0.716 . . . . 10.6 111.686 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.468 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -155.31 119.08 0.89 Allowed Glycine 0 CA--C 1.496 -1.113 0 N-CA-C 109.917 -1.273 . . . . 19.17 109.917 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.486 HD12 HD11 ' C' ' 51' ' ' LEU . 12.3 mm -87.82 127.07 41.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.08 -0.711 . . . . 30.38 109.08 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.438 ' HD2' ' HA ' ' C' ' 13' ' ' ILE . 60.3 m-85 -137.67 139.01 39.99 Favored 'General case' 0 C--O 1.244 0.783 0 O-C-N 124.277 0.986 . . . . 49.62 108.942 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 19.9 m -73.76 106.74 5.63 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.95 -1.13 . . . . 92.15 107.95 169.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.32 102.86 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.193 0.997 . . . . 99.99 109.582 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' C' ' 54' ' ' ASP . . . -131.25 143.73 50.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 99.99 109.056 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' C' ' 9' ' ' MET . . . 162.39 -88.95 0.11 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.304 -1.118 . . . . 99.99 110.304 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.453 ' H ' ' HG3' ' C' ' 94' ' ' MET . 11.3 tp 176.26 155.23 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 C-N-CA 125.222 1.409 . . . . 99.99 110.534 163.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.479 ' HB3' ' HA ' ' E' ' 278' ' ' LEU . 0.0 OUTLIER -78.06 -167.29 0.97 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.564 1.545 . . . . 99.99 113.93 -163.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.44 ' HA3' ' HG2' ' E' ' 149' ' ' LYS . . . 77.44 -149.44 35.34 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 110.244 -1.142 . . . . 99.99 110.244 -178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.621 ' HA ' ' HB3' ' C' ' 95' ' ' ALA . 0.3 OUTLIER -70.81 -16.77 62.76 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.013 0.525 . . . . 99.99 111.327 177.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.447 ' NE2' ' HE3' ' E' ' 149' ' ' LYS . 35.2 mt-30 -57.83 -68.34 0.25 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.755 1.222 . . . . 99.99 111.46 -174.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' C' ' 89' ' ' ILE . 34.5 mtm -75.06 -21.17 59.16 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.236 0.458 . . . . 99.99 112.236 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.677 ' HA ' ' HB3' ' C' ' 98' ' ' LEU . . . -60.54 -19.22 56.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 112.775 0.657 . . . . 99.99 112.775 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -47.83 -59.76 3.08 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.486 0.314 . . . . 99.99 110.18 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' E' ' 141' ' ' ALA . 34.6 m -72.53 -48.76 37.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.79 -0.641 . . . . 99.99 109.936 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' E' ' 281' ' ' PHE . 61.1 tp -62.5 -46.64 87.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.701 1.2 . . . . 99.99 113.777 -169.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.07 -10.03 79.21 Favored Glycine 0 N--CA 1.467 0.758 0 O-C-N 123.318 0.386 . . . . 68.51 113.648 -173.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.17 -67.42 0.81 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.011 0.524 . . . . 56.52 111.521 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.431 ' HD1' ' HE2' ' C' ' 11' ' ' PHE . 52.4 t80 -74.96 -35.55 62.1 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.477 0.711 . . . . 99.99 112.404 -170.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 52.5 m -66.64 -48.55 53.77 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.499 0.72 . . . . 56.59 111.594 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 28.2 Cg_exo -64.71 -24.27 62.32 Favored 'Trans proline' 0 C--N 1.392 2.854 0 C-N-CA 122.167 1.911 . . . . 39.21 112.906 173.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.22 -35.7 81.88 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 122.879 0.472 . . . . 71.72 110.695 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.51 -44.4 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.148 0.579 . . . . 8.71 110.381 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.468 HD21 ' HA3' ' C' ' 82' ' ' GLY . 91.2 mt -73.37 -28.11 61.85 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.718 -0.674 . . . . 37.06 111.67 -174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.18 -53.07 62.97 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.626 1.171 . . . . 16.74 114.004 -171.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.87 -37.1 76.82 Favored 'Trans proline' 0 C--N 1.39 2.742 0 C-N-CA 122.49 2.127 . . . . 9.85 113.915 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -70.09 -47.24 62.7 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.483 0.713 . . . . 5.88 110.77 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.25 -37.8 88.77 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.003 -0.544 . . . . 7.64 110.989 177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.36 -51.52 69.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.784 1.634 . . . . 20.64 111.086 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 2.0 tm-20 -69.43 -35.34 75.59 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.629 0.581 . . . . 38.86 110.16 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.84 -28.68 68.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.044 0.537 . . . . 13.9 111.22 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.461 HD13 HG23 ' C' ' 64' ' ' VAL . 56.1 mt -72.68 -53.05 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.332 0.653 . . . . 8.58 109.809 173.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.8 m -59.08 -30.04 67.78 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.528 0.731 . . . . 8.54 110.913 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 36.3 t -67.55 -52.53 37.67 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.121 0.969 . . . . 6.56 109.768 174.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.58 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -58.26 -36.86 73.87 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.317 1.047 . . . . 5.22 112.621 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.446 HG23 ' O ' ' C' ' 114' ' ' ILE . 61.0 t -65.03 -42.36 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 O-C-N 123.573 0.545 . . . . 28.53 109.557 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' C' ' 125' ' ' GLN . 45.3 t -70.82 -22.9 62.28 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.734 0.814 . . . . 17.6 112.04 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' C' ' 116' ' ' SER . 86.1 mtt-85 -76.66 -35.89 57.68 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.283 0.633 . . . . 7.72 110.185 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.38 3.02 55.51 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.978 -0.555 . . . . 10.8 112.424 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 39.3 p 69.69 21.74 6.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.35 2.26 . . . . 15.17 112.32 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -90.84 158.51 42.04 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.477 1.111 . . . . 24.81 108.646 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -64.14 162.66 28.8 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 123.207 2.604 . . . . 29.42 114.395 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' C' ' 119' ' ' SER . 23.6 mm-40 -61.48 113.0 2.43 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.438 -0.801 . . . . 72.03 110.567 175.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -107.34 97.8 7.51 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.062 -1.088 . . . . 59.85 108.062 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.96 112.01 23.77 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.987 -1.006 . . . . 41.85 109.575 -174.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.488 HD11 HD11 ' C' ' 42' ' ' LEU . 14.9 tp -76.75 141.7 40.71 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.04 0.536 . . . . 38.57 109.997 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.75 153.73 91.33 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.701 0.8 . . . . 24.62 111.131 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.09 103.05 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.809 2.339 . . . . 24.48 112.029 172.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.02 116.83 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.556 0.742 . . . . 68.05 109.925 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -86.31 106.45 17.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.91 0.884 . . . . 99.99 109.661 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -61.67 -24.5 66.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.716 0.806 . . . . 99.99 112.826 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.2 -54.76 43.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.524 0.73 . . . . 99.99 110.142 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.9 65.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.465 -0.789 . . . . 99.99 111.244 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' E' ' 288' ' ' VAL . 0.2 OUTLIER -68.14 -26.06 65.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.556 0.743 . . . . 99.99 111.272 -177.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -61.64 -31.42 71.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.825 0.45 . . . . 99.99 111.483 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ttt -77.49 -45.09 26.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.709 0.404 . . . . 99.99 110.252 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -54.88 -36.02 64.68 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.787 0.835 . . . . 99.99 111.624 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . 0.576 ' HD1' ' HD2' ' E' ' 287' ' ' PRO . 56.3 t80 -40.67 -83.07 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.514 1.526 . . . . 99.99 112.427 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.68 -37.25 85.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.569 0.748 . . . . 99.99 110.841 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.3 -59.47 4.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.336 0.654 . . . . 99.99 111.864 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -156.0 112.04 3.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.893 0.477 . . . . 99.99 111.381 -171.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.99 -31.54 59.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.196 0.598 . . . . 99.99 110.878 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' E' ' 289' ' ' ARG . . . 52.77 -161.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.891 1.276 . . . . 99.99 112.179 -174.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.88 -56.18 4.64 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 112.185 -0.366 . . . . 99.99 112.185 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 70.97 130.7 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.717 1.607 . . . . 99.99 111.517 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -74.12 84.15 0.72 Allowed Glycine 0 C--N 1.343 0.958 0 N-CA-C 112.001 -0.44 . . . . 99.99 112.001 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 12.3 t -78.9 164.89 24.08 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.696 0.798 . . . . 99.99 109.884 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.51 -55.26 1.33 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.802 0.441 . . . . 99.99 110.725 -172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.08 91.36 0.05 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.969 1.308 . . . . 99.99 108.423 -169.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -66.02 -22.93 66.47 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.941 0.719 . . . . 99.99 112.941 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 68.95 140.47 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.656 1.183 . . . . 99.99 111.972 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.04 -70.76 0.27 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.727 0.411 . . . . 99.99 110.018 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.753 0.821 . . . . 99.99 109.057 -177.536 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.409 ' HB3' ' O ' ' D' ' 5' ' ' ASN . 25.2 ttt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.637 -0.134 . . . . 99.99 110.637 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m 74.13 -26.62 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.073 1.349 . . . . 99.99 113.907 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -67.05 -63.82 0.98 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.201 1.0 . . . . 99.99 109.56 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -97.12 8.9 43.54 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.793 0.837 . . . . 99.99 109.166 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' D' ' 1' ' ' MET . 65.0 t30 63.2 -65.52 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.299 1.84 . . . . 99.99 110.782 -164.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.56 89.45 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.246 1.419 . . . . 99.99 110.892 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.43 142.78 31.34 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.976 -1.12 . . . . 99.99 107.976 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -91.27 43.89 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 99.99 111.44 -170.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.428 ' SD ' HG23 ' D' ' 89' ' ' ILE . 10.6 tpt -33.7 129.94 0.3 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.044 1.337 . . . . 99.99 113.13 170.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.597 ' HB ' HD21 ' E' ' 85' ' ' ASN . 9.2 t -136.39 136.75 39.85 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.683 0.793 . . . . 99.99 108.915 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.515 ' HZ ' ' HG ' ' D' ' 102' ' ' CYS . 12.0 t80 -142.95 114.19 7.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.869 -1.16 . . . . 76.43 107.869 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -132.51 128.87 38.27 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.551 0.74 . . . . 99.99 109.127 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.569 HD13 HG21 ' D' ' 105' ' ' ILE . 9.8 mt -85.06 120.79 36.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 123.972 0.795 . . . . 41.34 109.058 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -99.07 -23.5 15.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.85 -0.595 . . . . 79.46 112.546 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -175.72 134.23 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 99.99 110.29 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.43 HD11 HG21 ' D' ' 13' ' ' ILE . 4.3 mp -117.71 133.02 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.498 -1.297 . . . . 53.22 107.498 170.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.46 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 6.7 p90 -165.45 151.88 9.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.41 0.684 . . . . 19.87 111.194 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.3 p -76.24 116.88 17.36 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.672 -0.862 . . . . 8.43 108.672 171.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -83.99 -23.9 30.82 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.062 -0.347 . . . . 36.9 110.062 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 14.6 t70 -159.26 140.12 12.59 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.906 -1.043 . . . . 36.68 108.83 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.58 HG21 ' HE2' ' C' ' 117' ' ' MET . 76.0 mt -134.06 151.78 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.892 1.277 . . . . 4.02 107.888 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 77' ' ' GLU . 38.3 t -152.49 145.53 24.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.157 0.983 . . . . 7.64 109.151 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 87.4 t80 -153.65 128.11 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.852 -1.907 . . . . 5.08 105.852 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 43.4 mt-10 -128.06 148.95 50.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.259 0.624 . . . . 28.73 109.378 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -147.63 75.91 10.98 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 107.859 -1.163 . . . . 7.19 107.859 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.62 -48.8 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.612 2.208 . . . . 13.41 111.969 -175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -87.19 7.68 27.24 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.952 0.901 . . . . 11.97 111.202 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -41.52 -61.35 1.44 Allowed Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 114.905 1.446 . . . . 12.01 114.905 -166.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.59 -19.35 19.0 Favored 'Trans proline' 0 C--N 1.378 2.083 0 CA-C-N 121.034 1.405 . . . . 20.55 112.959 -171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.05 -40.53 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.425 1.49 . . . . 22.26 110.019 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' D' ' 68' ' ' LEU . 2.8 p -85.03 -17.93 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 C-N-CA 123.173 0.589 . . . . 34.6 111.194 -172.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.65 -26.75 68.2 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.126 0.57 . . . . 32.96 111.502 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -59.72 -24.35 63.93 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.76 0.824 . . . . 99.99 110.762 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -87.61 80.5 7.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.314 1.046 . . . . 31.63 109.029 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -85.68 72.94 10.5 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.177 0.991 . . . . 99.99 111.234 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -147.72 -175.25 4.79 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.762 -1.108 . . . . 49.29 109.084 170.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -75.83 116.28 53.97 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 122.935 0.494 . . . . 99.99 110.544 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HG2' ' D' ' 124' ' ' PRO . 15.3 Cg_exo -69.19 149.93 71.08 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.646 2.231 . . . . 31.29 111.173 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.19 154.15 41.92 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.446 -1.316 . . . . 99.99 107.446 165.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.461 HG23 HG13 ' D' ' 64' ' ' VAL . 2.5 p -134.77 111.48 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.611 -0.885 . . . . 52.79 108.611 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' HD3' ' E' ' 114' ' ' LYS . 79.2 tttt -83.74 128.47 34.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.41 -1.329 . . . . 99.99 107.41 170.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -94.04 114.03 26.12 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.381 -1.711 . . . . 74.77 106.381 173.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.531 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.5 t70 -105.75 110.99 23.48 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 105.452 -2.055 . . . . 99.99 105.452 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.17 131.09 51.83 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 110.612 -0.144 . . . . 66.01 110.612 -165.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -145.8 156.28 43.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.24 0.616 . . . . 79.72 109.388 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.436 HG23 ' HB3' ' E' ' 106' ' ' TYR . 6.7 t -145.35 143.53 30.19 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.605 -0.887 . . . . 77.52 108.605 172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.23 39.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.707 -1.22 . . . . 38.8 107.707 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 6.7 p -167.44 -169.78 1.3 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.344 0.258 . . . . 48.36 110.489 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -161.76 138.93 8.54 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.923 0.489 . . . . 52.73 109.847 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -74.93 115.08 14.14 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.255 -1.387 . . . . 99.71 107.255 163.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.3 12.97 6.08 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.386 1.074 . . . . 82.32 109.17 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -156.68 156.08 32.84 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.05 -0.977 . . . . 96.95 110.676 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.45 116.57 29.28 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.577 -0.897 . . . . 99.99 108.577 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.63 19.89 8.46 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.308 1.043 . . . . 99.99 111.222 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.441 ' HB ' ' HB1' ' D' ' 52' ' ' ALA . 64.2 t -144.18 137.8 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 106.941 -1.503 . . . . 82.8 106.941 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' D' ' 98' ' ' LEU . 29.0 t80 -135.79 132.95 37.38 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 110.015 -0.365 . . . . 99.99 110.015 -176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -97.84 114.92 27.1 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.682 -1.229 . . . . 55.89 107.682 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.548 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 10.9 p -111.06 135.73 49.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.047 -0.723 . . . . 44.56 109.047 176.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.96 119.9 63.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 124.063 0.945 . . . . 19.48 108.525 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -96.46 112.65 24.32 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.001 -1.111 . . . . 52.2 108.001 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' D' ' 79' ' ' GLN . 24.0 ttm180 -89.72 103.99 16.59 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.782 0.833 . . . . 99.99 109.32 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.407 HG11 HD13 ' D' ' 128' ' ' LEU . 89.3 t -90.64 121.77 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 N-CA-C 108.535 -0.913 . . . . 9.25 108.535 171.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 7.4 m -118.37 147.29 43.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.57 -0.9 . . . . 10.79 108.57 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 51.0 t -132.15 121.08 45.57 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 125.482 1.513 . . . . 9.72 107.501 -172.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -121.46 93.93 4.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.139 -1.43 . . . . 19.36 107.139 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.97 148.58 22.82 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.544 -0.753 . . . . 11.33 109.722 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 17.4 m -143.55 133.94 24.7 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.539 0.685 . . . . 29.87 112.426 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.441 ' HB2' HG22 ' D' ' 31' ' ' VAL . 25.5 mt -106.38 113.36 26.83 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.866 -1.161 . . . . 24.97 107.866 168.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.77 -112.64 3.51 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 112.48 -0.248 . . . . 27.84 112.48 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 3.45 10.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.493 0.717 . . . . 76.3 110.82 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -124.06 168.05 13.38 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.467 0.707 . . . . 81.89 109.831 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 33.4 m -71.12 125.96 28.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.548 -0.751 . . . . 11.35 111.045 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.48 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -75.01 -70.72 0.4 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.837 -1.172 . . . . 10.67 107.837 170.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -148.3 160.81 42.61 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.632 -0.713 . . . . 7.73 110.15 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 73.7 mt -115.04 153.55 30.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.97 1.308 . . . . 11.05 108.093 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.658 ' SG ' HG12 ' D' ' 114' ' ' ILE . 46.4 t -159.26 145.19 16.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.059 -0.719 . . . . 12.97 109.059 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 22' ' ' SER . 34.4 tt0 -155.99 122.11 5.06 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.203 0.456 . . . . 47.96 110.74 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.41 117.36 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.118 0.567 . . . . 5.05 110.01 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 47.2 mt-30 -89.61 93.01 9.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.218 -0.901 . . . . 21.68 109.318 171.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -85.62 104.98 15.85 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.206 -0.906 . . . . 8.01 108.719 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.67 144.11 17.05 Favored Glycine 0 C--N 1.34 0.765 0 O-C-N 123.346 0.404 . . . . 11.29 112.426 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.08 136.06 7.51 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 111.874 -0.49 . . . . 22.6 111.874 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.49 110.26 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 108.204 -1.035 . . . . 43.57 108.204 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -118.11 125.97 51.33 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.521 0.729 . . . . 45.01 109.167 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 36.6 m -101.91 127.65 48.65 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 123.118 0.567 . . . . 77.58 109.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.485 ' HB ' HD11 ' D' ' 89' ' ' ILE . 30.3 pt -138.04 143.49 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 88.57 110.708 -170.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.728 ' HA ' ' HB ' ' E' ' 97' ' ' ILE . . . -161.38 165.82 28.34 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.122 -0.945 . . . . 99.99 109.483 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.06 24.83 65.51 Favored Glycine 0 C--N 1.345 1.033 0 C-N-CA 121.58 -0.343 . . . . 99.99 112.853 -177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' D' ' 86' ' ' ILE . 3.0 pt -137.21 162.68 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.011 0.924 . . . . 99.99 110.73 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.81 176.1 12.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.609 -1.178 . . . . 99.99 109.829 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.8 -141.44 33.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 123.319 0.387 . . . . 99.99 114.024 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 79.9 p -85.57 -45.19 11.99 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.41 0.684 . . . . 99.99 110.809 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' D' ' 96' ' ' HIS . 28.6 tt0 -55.95 -29.46 60.21 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.372 1.069 . . . . 99.99 111.863 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.463 ' SD ' ' HB3' ' E' ' 99' ' ' ALA . 33.5 ttp -47.17 -65.24 0.6 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.098 1.359 . . . . 99.99 112.706 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.465 ' HB1' HD23 ' E' ' 102' ' ' LEU . . . -87.22 -13.83 42.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.345 0.658 . . . . 88.9 111.566 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . 0.492 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 20.3 t-80 -59.99 -31.09 69.59 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.563 0.345 . . . . 99.99 110.612 171.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 83.9 m -59.94 -40.09 87.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.959 0.504 . . . . 95.17 110.693 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.687 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 26.7 mt -74.92 -23.19 58.31 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.108 0.963 . . . . 99.99 111.611 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.69 15.11 34.85 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.773 -0.46 . . . . 66.02 113.8 -176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.41 -60.05 0.24 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.208 0.504 . . . . 54.11 111.188 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . 0.443 ' CE1' ' SG ' ' E' ' 308' ' ' CYS . 89.9 t80 -71.16 -48.19 53.33 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.59 0.356 . . . . 40.76 111.284 -177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.687 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 56.3 m -63.0 -47.1 87.12 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-O 118.448 -0.787 . . . . 34.31 111.929 -176.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' D' ' 102' ' ' CYS . 86.8 Cg_exo -56.1 -33.06 88.96 Favored 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 122.581 2.187 . . . . 28.69 113.685 170.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -67.76 -30.95 70.54 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.782 0.833 . . . . 61.29 110.311 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.569 HG21 HD13 ' D' ' 13' ' ' ILE . 43.5 mm -71.6 -43.77 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.057 0.543 . . . . 19.65 110.298 172.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 76.9 mt -74.51 -26.1 59.77 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 115.275 -0.875 . . . . 13.09 111.759 -172.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.0 -42.11 49.72 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 113.908 1.077 . . . . 10.47 113.908 -171.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -48.3 -40.28 35.47 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.396 2.064 . . . . 6.22 114.044 169.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -83.59 -33.9 25.28 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.482 0.713 . . . . 10.48 112.156 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.47 92.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.993 0.517 . . . . 4.16 109.795 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.485 ' NH2' HG13 ' B' ' 105' ' ' ILE . 36.7 ttp-105 -70.24 -44.2 69.01 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 115.053 -0.976 . . . . 10.22 110.166 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.39 -48.15 74.76 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.848 0.859 . . . . 32.24 110.796 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.6 -45.29 94.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.378 -0.828 . . . . 3.39 111.082 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.658 HG12 ' SG ' ' D' ' 76' ' ' CYS . 89.8 mt -62.02 -46.35 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.639 0.776 . . . . 5.37 110.711 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 66.3 m -59.31 -42.62 91.79 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 124.514 1.126 . . . . 7.06 110.256 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 28.0 t -69.35 -41.87 76.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.553 -1.203 . . . . 6.71 110.802 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.422 ' HE3' ' SG ' ' D' ' 76' ' ' CYS . 73.3 mtm -69.67 -35.47 75.17 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.399 0.518 . . . . 5.08 112.399 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 114' ' ' ILE . 98.9 t -64.93 -45.8 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 122.959 0.504 . . . . 5.65 110.391 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -65.01 -35.59 81.67 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.601 -0.727 . . . . 10.21 110.202 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -68.55 -28.23 66.79 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.896 0.878 . . . . 6.99 110.936 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.03 6.9 82.88 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 118.822 -0.988 . . . . 7.43 114.199 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.586 HG23 ' NE1' ' E' ' 131' ' ' TRP . 58.2 m 70.87 13.91 7.01 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.045 0.926 . . . . 18.26 111.65 177.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . 0.427 ' HB2' HG13 ' D' ' 118' ' ' VAL . 95.9 m-85 -96.76 150.35 36.83 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 120.853 -1.154 . . . . 10.7 109.226 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.414 ' HG2' ' HD3' ' D' ' 38' ' ' PRO . 90.5 Cg_exo -49.41 133.85 31.38 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.459 2.773 . . . . 20.06 112.928 175.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -50.1 123.93 9.23 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.312 1.008 . . . . 16.85 111.564 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -109.29 97.97 7.47 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.411 0.625 . . . . 14.84 110.652 -176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.541 HD21 ' HB ' ' B' ' 16' ' ' ILE . 6.0 m-20 -98.69 93.57 6.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.255 -1.387 . . . . 76.73 107.255 170.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.407 HD13 HG11 ' D' ' 62' ' ' VAL . 84.0 mt -50.62 120.82 5.04 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 124.294 0.996 . . . . 20.32 110.989 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -54.85 122.09 38.7 Favored Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 124.76 1.288 . . . . 28.37 111.142 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' D' ' 129' ' ' ALA . 33.2 Cg_exo -61.51 113.33 1.75 Allowed 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 123.019 2.479 . . . . 32.68 110.818 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . 0.448 ' HA ' HD13 ' E' ' 71' ' ' ILE . 14.8 p -117.41 140.37 40.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 123.084 0.554 . . . . 69.78 110.026 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.59 114.11 18.27 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.066 -0.716 . . . . 99.99 109.066 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.05 -31.88 70.97 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.21 1.004 . . . . 99.99 111.82 -169.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.29 -61.03 2.63 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.732 0.813 . . . . 99.99 111.436 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.41 71.38 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.21 -0.905 . . . . 99.99 111.057 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' E' ' 120' ' ' TYR . 24.8 tp -50.54 -48.81 57.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.11 1.364 . . . . 99.99 112.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -60.18 -48.69 80.67 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.613 0.765 . . . . 99.99 111.397 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 71.6 mtm -70.91 -36.32 72.65 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 114.477 -1.238 . . . . 99.99 111.544 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.33 -26.31 62.78 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.58 0.352 . . . . 99.99 111.783 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.99 -49.69 60.12 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.349 0.595 . . . . 99.99 110.186 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.98 -34.96 59.78 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.698 -1.137 . . . . 99.99 111.842 -169.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -73.23 -2.04 20.19 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.576 0.584 . . . . 99.99 112.576 -173.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -150.63 47.6 0.87 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.611 1.196 . . . . 99.99 108.629 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -147.33 133.54 19.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.325 -1.307 . . . . 99.99 108.258 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.14 118.46 9.24 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.547 0.739 . . . . 99.99 109.626 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.67 157.74 47.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 70.17 130.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.457 1.103 . . . . 99.99 111.124 -175.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -71.7 78.9 0.6 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.536 -1.026 . . . . 99.99 110.536 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 21.6 m -67.2 -28.23 67.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.033 0.933 . . . . 99.99 110.593 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 61.14 22.69 12.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.161 1.384 . . . . 99.99 112.26 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -61.37 -26.25 67.7 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.192 0.997 . . . . 99.99 111.298 175.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -64.96 -35.62 81.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.072 0.949 . . . . 99.99 110.156 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -93.88 -18.77 21.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.947 0.899 . . . . 99.99 111.152 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 61.96 43.97 8.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.88 1.272 . . . . 99.99 110.257 -166.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.177 1.391 . . . . 99.99 110.551 -177.248 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.159 -0.312 . . . . 99.99 110.159 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.462 ' HD2' ' HA ' ' E' ' 48' ' ' THR . 11.0 ptpt -164.81 -5.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 124.034 0.934 . . . . 99.99 110.935 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HD3' ' E' ' 303' ' ' LYS . 21.4 mp0 -76.91 172.58 12.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.253 1.021 . . . . 99.99 109.858 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 23.8 t -171.97 133.4 0.72 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.418 0.687 . . . . 99.99 109.841 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.474 ' HB ' ' HB2' ' B' ' 129' ' ' ALA . 15.7 m -90.73 136.52 33.01 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 108.682 -0.858 . . . . 99.99 108.682 173.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.85 164.64 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.99 0.516 . . . . 99.99 111.143 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.95 165.62 0.7 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.031 1.333 . . . . 99.99 109.753 168.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' B' ' 42' ' ' LEU . 7.5 mp 60.98 -173.1 0.13 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.024 1.33 . . . . 99.99 113.15 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.71 -165.4 2.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.477 1.111 . . . . 99.99 108.73 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.12 -28.73 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.652 0.381 . . . . 99.99 111.087 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mp 66.61 77.95 0.26 Allowed Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 124.301 1.041 . . . . 99.99 111.33 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -82.61 56.37 5.67 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 123.004 2.469 . . . . 99.99 110.813 171.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.532 HD12 ' N ' ' E' ' 14' ' ' LEU . 1.5 pp -117.24 -39.94 3.15 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.265 1.026 . . . . 99.99 110.025 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.532 ' N ' HD12 ' E' ' 13' ' ' LEU . 3.6 mm? 64.11 119.64 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 125.214 1.406 . . . . 99.99 112.788 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.59 145.12 41.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.247 0.619 . . . . 99.99 109.488 167.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.55 ' HB ' ' HD3' ' E' ' 17' ' ' PRO . 40.1 m -142.42 -49.23 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.502 0 C-N-CA 123.162 0.585 . . . . 99.99 110.355 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.55 ' HD3' ' HB ' ' E' ' 16' ' ' THR . 60.3 Cg_endo -98.32 158.85 0.79 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.039 1.826 . . . . 99.99 112.039 163.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.64 -19.59 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 CA-C-O 121.436 0.636 . . . . 99.99 109.37 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . 0.424 HG22 ' HB2' ' E' ' 17' ' ' PRO . 14.6 t -83.46 -19.43 35.87 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.433 1.093 . . . . 99.99 112.055 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -152.43 177.18 10.87 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.836 0.854 . . . . 99.99 111.031 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.37 171.2 10.8 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.578 1.151 . . . . 99.99 109.051 171.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -90.57 158.5 16.95 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.169 0.588 . . . . 99.99 111.382 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 44.5 p -94.24 141.45 23.59 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 170.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.26 135.67 12.22 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.281 1.987 . . . . 99.99 112.437 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -71.22 148.97 46.72 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 166.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' E' ' 353' ' ' HIS . 55.2 ttm -39.06 95.69 0.1 OUTLIER Pre-proline 0 N--CA 1.502 2.135 0 C-N-CA 125.538 1.535 . . . . 99.99 114.042 -168.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.53 -13.88 3.28 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.172 2.581 . . . . 99.99 113.779 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.96 -32.45 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 119.023 -0.513 . . . . 99.99 111.78 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 59.23 -81.84 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.131 0.894 . . . . 99.99 109.412 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -70.88 0.73 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 166.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -148.75 93.83 2.18 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.616 0.766 . . . . 99.99 109.761 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 59.73 7.95 1.2 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 125.206 1.402 . . . . 99.99 112.274 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 178.94 167.48 0.93 Allowed 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.685 1.594 . . . . 99.99 108.925 -170.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.26 -52.73 20.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.056 0.542 . . . . 99.99 110.141 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 66.1 -73.21 0.07 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.074 1.35 . . . . 99.99 111.794 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.81 131.04 7.18 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 109.948 -1.261 . . . . 99.99 109.948 -173.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.82 83.59 0.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.331 1.062 . . . . 99.99 110.797 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 tp -88.94 101.38 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 107.366 -1.346 . . . . 99.99 107.366 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -77.47 74.13 4.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.783 0.802 . . . . 99.99 109.801 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.52 67.64 1.39 Allowed Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.839 1.256 . . . . 99.99 108.686 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.23 120.42 6.98 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.444 2.096 . . . . 99.99 110.961 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.7 134.26 44.21 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.301 0.376 . . . . 99.99 112.188 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.71 -69.71 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 N-CA-C 112.137 -0.385 . . . . 99.99 112.137 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.94 26.11 6.0 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.306 1.042 . . . . 99.99 112.277 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 73.16 -58.39 0.6 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.947 1.699 . . . . 99.99 110.124 -169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -141.43 104.17 4.54 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.813 0.845 . . . . 99.99 109.198 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.85 -86.68 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.085 0.554 . . . . 99.99 110.071 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . 0.462 ' HA ' ' HD2' ' E' ' 2' ' ' LYS . 14.4 t 37.11 37.98 0.09 Allowed 'General case' 0 CA--C 1.565 1.545 0 C-N-CA 126.345 1.858 . . . . 99.99 114.972 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.73 139.32 26.18 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.917 -0.583 . . . . 99.99 111.735 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -80.19 85.89 5.67 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.968 0.89 . . . . 99.99 111.862 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -88.12 -14.23 39.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.03 -1.441 . . . . 99.99 108.052 161.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -44.45 -16.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 128.076 2.55 . . . . 99.99 115.328 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.09 22.93 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.019 0.928 . . . . 99.99 112.844 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.55 44.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.541 0.736 . . . . 99.99 112.099 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' E' ' 58' ' ' SER . 0.2 OUTLIER 64.12 22.07 12.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 125.267 1.427 . . . . 99.99 111.384 177.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.72 -79.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 126.914 2.086 . . . . 99.99 111.646 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.74 -61.0 2.0 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.252 1.421 . . . . 99.99 110.889 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' E' ' 55' ' ' LEU . 36.0 t 44.51 79.26 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.472 1.509 . . . . 99.99 113.062 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.06 -55.05 0.15 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.182 0.193 . . . . 99.99 111.434 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -155.65 -163.02 1.42 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.848 0.859 . . . . 99.99 109.27 -174.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.87 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.616 0.766 . . . . 99.99 109.387 170.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' E' ' 305' ' ' ALA . 0.5 OUTLIER -166.25 108.76 0.7 Allowed Pre-proline 0 CA--C 1.543 0.689 0 CA-C-O 118.435 -0.793 . . . . 99.99 109.543 175.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.44 100.72 0.11 Allowed 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.196 2.597 . . . . 99.99 113.338 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.46 -179.66 2.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.308 1.443 . . . . 99.99 108.64 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.533 ' HA ' ' HA ' ' E' ' 308' ' ' CYS . 0.0 OUTLIER -154.26 91.67 1.45 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.307 -0.997 . . . . 99.99 108.307 171.217 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.79 157.43 18.08 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.36 -0.836 . . . . 99.99 109.239 173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' B' ' 104' ' ' ASN . 15.6 tt -50.33 -55.5 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.26 0.624 . . . . 99.99 111.86 -174.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 36.9 mm 56.93 105.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.515 1.126 . . . . 99.99 111.728 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' D' ' 130' ' ' PRO . 2.3 mm? -75.76 83.08 2.73 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.459 -0.791 . . . . 99.99 110.94 -172.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -100.68 84.37 2.72 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.097 -1.446 . . . . 99.99 107.097 171.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' D' ' 131' ' ' VAL . 42.1 pt -87.31 8.6 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 N-CA-C 112.633 0.605 . . . . 99.99 112.633 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.78 -118.4 0.44 Allowed Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.664 -0.574 . . . . 99.99 111.664 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.17 137.01 35.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.936 0.894 . . . . 99.99 111.021 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -168.59 139.01 5.43 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.869 -0.892 . . . . 99.99 110.869 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.44 158.1 38.26 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.444 0.697 . . . . 99.99 110.362 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' E' ' 315' ' ' ASN . . . -136.54 122.87 2.73 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 110.805 -0.918 . . . . 99.99 110.805 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . 0.484 ' HA ' ' ND2' ' E' ' 315' ' ' ASN . 10.6 t70 -77.36 148.06 35.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.278 0.539 . . . . 99.99 111.076 -172.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 39.7 m -59.03 -27.86 65.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.525 1.13 . . . . 99.99 113.346 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.653 ' HG3' HG13 ' E' ' 80' ' ' ILE . 8.2 pt-20 -48.64 -42.06 33.13 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.486 1.114 . . . . 99.99 112.955 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.653 HG13 ' HG3' ' E' ' 79' ' ' GLU . 57.3 mt -95.17 103.31 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 108.7 -0.852 . . . . 99.99 108.7 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 95.4 m -122.12 140.37 52.63 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.218 -1.031 . . . . 99.99 108.218 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.65 77.94 0.19 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.099 0.96 . . . . 99.99 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 179.42 -44.17 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.13 1.372 . . . . 99.99 108.65 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.35 80.84 2.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.721 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.597 HD21 ' HB ' ' D' ' 10' ' ' THR . 28.2 t-20 -160.87 105.09 1.36 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.969 . . . . 99.99 108.963 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -167.92 156.21 8.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.575 1.15 . . . . 99.99 108.953 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 75.13 -59.79 0.53 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.662 1.585 . . . . 99.99 111.993 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . 0.631 ' HG3' ' HA3' ' E' ' 96' ' ' GLY . 1.7 mp0 -65.17 95.74 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.33 1.052 . . . . 99.99 111.426 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . 0.51 ' HA2' ' HD1' ' E' ' 94' ' ' PHE . . . 174.03 -145.44 8.14 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.142 -0.481 . . . . 99.99 113.034 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 76.82 -70.19 0.14 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.279 1.431 . . . . 99.99 114.142 168.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.21 87.56 0.32 Allowed Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.891 0.716 . . . . 99.99 114.891 -167.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.93 -69.78 2.62 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 123.916 0.421 . . . . 99.99 112.442 176.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -116.24 -82.23 0.62 Allowed 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 108.596 -0.891 . . . . 99.99 108.596 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . 0.51 ' HD1' ' HA2' ' E' ' 89' ' ' GLY . 60.4 m-85 -149.17 168.17 23.96 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.215 1.006 . . . . 99.99 110.702 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -149.82 155.76 40.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.48 1.112 . . . . 99.99 109.666 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . 0.631 ' HA3' ' HG3' ' E' ' 88' ' ' GLU . . . 106.75 34.29 3.08 Favored Glycine 0 N--CA 1.472 1.073 0 N-CA-C 114.472 0.549 . . . . 99.99 114.472 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.728 ' HB ' ' HA ' ' D' ' 87' ' ' ALA . 6.4 tt -115.7 134.65 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 108.298 -1.001 . . . . 99.99 108.298 170.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.13 -69.76 0.27 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.968 0.507 . . . . 99.99 110.911 -171.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . 0.463 ' HB3' ' SD ' ' D' ' 94' ' ' MET . . . -92.62 -156.98 0.5 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 170.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -168.45 -53.35 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.642 -0.694 . . . . 99.99 111.77 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.3 165.41 30.53 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.146 1.897 . . . . 99.99 114.02 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.465 HD23 ' HB1' ' D' ' 95' ' ' ALA . 81.7 mt -68.54 -30.07 68.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.02 0.928 . . . . 99.99 111.333 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 68.8 p 58.27 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.492 1.917 . . . . 99.99 114.165 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.09 92.7 0.09 OUTLIER Glycine 0 CA--C 1.533 1.197 0 C-N-CA 123.229 0.443 . . . . 99.99 113.594 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 63.27 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.603 1.561 . . . . 99.99 111.809 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . 0.436 ' HB3' HG23 ' D' ' 46' ' ' THR . 95.0 m-85 -135.9 -56.07 0.77 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.42 1.088 . . . . 99.99 108.523 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 3.6 t -151.7 61.88 0.87 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.987 -1.116 . . . . 99.99 107.987 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 64.64 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.399 -1.273 . . . . 99.99 110.569 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -74.41 155.82 37.67 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.93 0.892 . . . . 99.99 109.746 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -19.03 64.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.933 0.893 . . . . 99.99 112.351 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 32.6 tp 78.05 -53.6 0.5 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.407 1.883 . . . . 99.99 111.3 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 66.67 -172.78 0.19 Allowed 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.34 1.056 . . . . 99.99 111.453 173.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.51 164.3 19.22 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.375 1.07 . . . . 99.99 109.886 -170.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' D' ' 41' ' ' LYS . 79.2 tttt -69.39 154.26 42.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.416 0.687 . . . . 99.99 110.277 174.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 29.9 m 83.06 -47.06 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.859 1.664 . . . . 99.99 110.791 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.82 -43.58 83.19 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 110.65 -0.98 . . . . 99.99 110.65 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 87.14 46.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.277 1.031 . . . . 99.99 108.487 167.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -96.37 34.86 0.13 Allowed 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.944 3.096 . . . . 99.99 112.4 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.22 -66.08 0.73 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.057 0.543 . . . . 99.99 110.881 -169.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.575 ' HB3' HD12 ' D' ' 136' ' ' LEU . 33.5 t80 -99.86 -24.5 14.65 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.917 -0.583 . . . . 99.99 110.356 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.73 89.83 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.255 1.026 . . . . 99.99 110.01 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 25.8 m -120.88 151.04 40.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.939 -1.028 . . . . 99.99 108.99 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -75.82 157.71 33.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.168 0.587 . . . . 99.99 110.225 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 35.6 t -161.17 123.5 3.08 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.797 -1.186 . . . . 99.99 107.797 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 64.49 -158.83 0.3 Allowed 'General case' 0 CA--C 1.555 1.153 0 O-C-N 124.338 1.024 . . . . 99.99 110.672 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 66.27 72.19 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.911 0.884 . . . . 96.83 111.391 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 55.0 m -139.24 129.45 25.35 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.727 -0.669 . . . . 99.99 110.994 -175.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -165.76 -171.68 2.14 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.74 1.216 . . . . 74.48 109.755 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.4 t -130.93 160.92 33.09 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.386 0.674 . . . . 99.99 110.497 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.39 152.65 28.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.715 -0.675 . . . . 99.99 110.028 174.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' D' ' 122' ' ' THR . 59.9 p-90 -115.33 169.39 9.18 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.681 0.792 . . . . 99.99 110.487 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 41.5 m -139.03 -42.93 0.47 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.793 0.837 . . . . 99.99 111.468 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 71.4 p 55.8 173.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 126.536 1.934 . . . . 99.99 113.627 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.56 44.04 1.44 Allowed Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.97 -0.559 . . . . 89.58 112.342 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 129' ' ' ALA . 59.6 t -72.83 93.7 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.233 0.613 . . . . 99.99 109.441 177.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -128.56 32.73 4.78 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.672 0.789 . . . . 99.99 110.222 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 36.7 m -141.59 91.65 2.39 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.371 0.668 . . . . 99.99 109.503 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . 0.467 ' HD1' ' HD2' ' A' ' 130' ' ' PRO . 69.8 t80 -164.54 150.93 10.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.211 0.605 . . . . 99.99 110.815 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -171.15 148.07 2.65 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.092 -1.447 . . . . 99.99 107.092 168.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -168.69 116.82 0.68 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 112.135 -0.386 . . . . 99.99 112.135 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.4 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . . . -116.08 116.0 27.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.744 0.818 . . . . 99.99 110.047 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 68.5 tp -157.38 110.26 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.01 -1.107 . . . . 99.99 108.01 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.99 175.4 47.66 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.524 0.515 . . . . 99.99 114.299 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.44 150.87 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 125.374 1.469 . . . . 99.99 111.839 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.38 160.84 3.75 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.593 1.157 . . . . 99.99 112.701 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 31.6 mm -58.29 104.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 114.765 -1.107 . . . . 99.99 110.558 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . 0.568 ' H ' HG21 ' C' ' 92' ' ' THR . 38.5 p-80 -140.58 132.6 27.81 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.68 -1.23 . . . . 99.99 107.68 172.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 57.64 78.56 0.23 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.046 0.927 . . . . 99.99 110.767 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . 0.447 ' HE3' ' NE2' ' C' ' 93' ' ' GLN . 10.6 tmtt? -122.21 98.13 5.79 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.265 -1.754 . . . . 99.99 106.265 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.68 161.9 29.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.412 0.685 . . . . 99.99 109.226 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 64.04 72.69 0.51 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.852 1.261 . . . . 99.99 111.707 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.78 138.63 23.86 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.355 2.037 . . . . 99.99 111.394 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 70.9 p 52.52 46.7 26.2 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.39 1.476 . . . . 99.99 112.59 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 13.7 tt -88.81 -29.85 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.419 -0.81 . . . . 99.99 112.853 -174.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.564 HD23 HD12 ' E' ' 277' ' ' LEU . 26.9 tp -88.34 -8.85 54.45 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.87 1.063 . . . . 99.99 113.87 -160.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.65 4.11 8.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.509 -0.744 . . . . 99.99 112.408 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 56.6 mtt 76.21 -61.78 0.44 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.77 1.628 . . . . 99.99 111.339 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -149.19 169.38 20.86 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.659 1.184 . . . . 99.99 108.914 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -70.07 -50.71 38.34 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.416 0.627 . . . . 99.99 109.498 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.05 -14.85 59.77 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.702 -0.681 . . . . 99.99 110.931 171.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.911 1.684 . . . . 99.99 110.27 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -80.2 35.24 2.17 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.279 0.471 . . . . 99.99 114.279 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 6.3 mp -110.74 -72.83 0.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.995 0.918 . . . . 99.99 108.803 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 58.98 98.71 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.794 1.237 . . . . 99.99 110.998 -172.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 6.0 m -82.79 143.96 30.48 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.115 0.566 . . . . 99.99 110.404 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 110.56 146.56 10.93 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 110.77 -0.932 . . . . 99.99 110.77 -172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' E' ' 171' ' ' ALA . 95.1 m-20 68.73 -67.98 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 125.346 1.458 . . . . 99.99 111.809 -176.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 23.5 t -63.07 -22.4 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.695 1.198 . . . . 99.99 111.043 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 19.3 p -87.6 43.07 1.08 Allowed 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.991 0.916 . . . . 99.99 110.61 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 79.7 p 50.06 88.28 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.201 1.801 . . . . 99.99 112.783 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' E' ' 167' ' ' ASN . . . -69.75 145.61 52.1 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.359 0.664 . . . . 99.99 110.66 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -141.05 141.06 34.32 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.415 0.686 . . . . 99.99 110.064 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . 0.633 HD23 ' H ' ' E' ' 173' ' ' LEU . 1.2 pt? -90.63 129.32 36.77 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.711 -0.848 . . . . 99.99 108.711 174.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.405 HE22 ' HB2' ' E' ' 176' ' ' ALA . 16.1 tm0? -82.84 116.77 22.31 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.932 -0.766 . . . . 99.99 108.932 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.37 -61.47 1.7 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.372 0.669 . . . . 99.99 110.881 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . 0.405 ' HB2' HE22 ' E' ' 174' ' ' GLN . . . 73.05 -18.88 0.34 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.249 1.42 . . . . 99.99 113.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 30.1 m 56.87 82.68 0.23 Allowed Pre-proline 0 CA--C 1.556 1.211 0 C-N-CA 125.087 1.355 . . . . 99.99 111.192 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.53 -65.79 0.1 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.953 2.435 . . . . 99.99 111.488 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 66.14 -7.54 0.39 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 115.408 1.633 . . . . 99.99 115.408 167.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 59.92 -161.91 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.387 1.075 . . . . 99.99 111.62 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 97.9 mt -107.33 124.39 49.74 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.701 -0.852 . . . . 99.99 108.701 171.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.12 107.0 11.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.353 0.661 . . . . 99.99 110.313 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.19 74.85 1.52 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.987 0.915 . . . . 99.99 109.713 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -147.95 -60.14 0.26 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.436 1.094 . . . . 99.99 108.371 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 51.4 t 54.94 80.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 124.973 1.309 . . . . 99.99 111.615 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 7.7 m 69.52 -73.9 0.09 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.561 1.544 . . . . 99.99 112.986 165.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 25.1 p -84.69 -81.81 0.18 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.051 0.54 . . . . 99.99 109.996 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -150.48 -17.76 0.23 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.953 0.501 . . . . 99.99 110.57 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -163.12 -59.02 0.04 OUTLIER 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.702 0.801 . . . . 99.99 109.767 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . 0.418 ' O ' HG21 ' E' ' 232' ' ' THR . 94.3 m 73.85 -38.19 0.39 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.914 1.686 . . . . 99.99 112.84 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -61.92 94.59 0.05 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.618 0.767 . . . . 99.99 110.176 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -178.42 93.07 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 99.99 110.472 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.59 -24.22 74.32 Favored 'Trans proline' 0 C--N 1.382 2.313 0 C-N-CA 123.407 2.738 . . . . 99.99 113.096 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 21.2 m 76.76 -56.95 0.54 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.771 1.628 . . . . 99.99 112.784 171.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -73.21 -96.06 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 118.484 -0.769 . . . . 99.99 109.929 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 20.4 p 38.0 63.69 0.78 Allowed 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.637 1.175 . . . . 99.99 111.718 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 38.9 m -60.22 -35.31 75.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.259 -0.882 . . . . 99.99 112.572 -167.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 12.3 pt-20 39.79 -71.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 127.486 2.314 . . . . 99.99 115.548 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 57.7 tptt -70.19 -37.85 75.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.226 1.011 . . . . 99.99 111.335 -177.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.82 -47.81 80.48 Favored Pre-proline 0 CA--C 1.566 1.567 0 N-CA-C 113.604 0.965 . . . . 99.99 113.604 -172.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.96 85.42 1.77 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 121.982 1.788 . . . . 99.99 110.735 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -146.82 -59.1 0.02 OUTLIER Glycine 0 C--N 1.342 0.889 0 N-CA-C 110.864 -0.894 . . . . 99.99 110.864 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 64.26 -173.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.979 1.311 . . . . 99.99 111.179 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -67.88 101.13 1.04 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.418 0.687 . . . . 99.99 110.501 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.43 119.41 12.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.382 0.673 . . . . 99.99 110.578 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 66.36 109.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.843 1.257 . . . . 99.99 112.86 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -149.62 171.23 16.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.013 1.325 . . . . 99.99 107.74 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -58.81 84.77 0.01 OUTLIER Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.026 0.346 . . . . 99.99 112.652 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -84.16 65.84 4.02 Favored Glycine 0 C--N 1.34 0.792 0 N-CA-C 111.217 -0.753 . . . . 99.99 111.217 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -99.96 164.61 11.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 99.99 109.404 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.2 -165.74 20.53 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 111.036 -0.826 . . . . 99.99 111.036 166.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 15.3 m 68.39 4.44 4.24 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.323 1.049 . . . . 99.99 112.712 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 72.4 mt -93.57 -26.28 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.098 0.959 . . . . 99.99 110.035 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 26.1 m 78.27 -48.05 0.46 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.235 1.814 . . . . 99.99 111.74 -175.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.75 -11.55 59.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.562 1.145 . . . . 99.99 113.135 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -63.79 -15.43 58.71 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.195 0.598 . . . . 99.99 112.253 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 78.2 mt -72.21 -2.58 19.35 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.38 0.672 . . . . 99.99 112.475 176.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.45 94.7 0.09 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.275 0.63 . . . . 99.99 109.707 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . 0.434 ' HA ' HH11 ' E' ' 221' ' ' ARG . 6.7 p30 -92.2 15.24 14.03 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.263 -0.881 . . . . 99.99 111.203 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -99.3 116.38 31.34 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.564 0.745 . . . . 99.99 109.993 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.434 HH11 ' HA ' ' E' ' 219' ' ' ASN . 0.0 OUTLIER -140.53 -69.33 0.4 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.768 0.827 . . . . 99.99 109.826 175.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -100.01 -8.34 23.97 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.863 0.865 . . . . 99.99 112.537 -170.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.57 92.96 0.87 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 99.99 110.254 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 11.2 p -136.21 167.87 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 123.977 0.911 . . . . 99.99 109.501 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 42.5 m -49.27 116.81 1.85 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.784 1.233 . . . . 99.99 111.278 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . 0.41 ' H ' HD23 ' E' ' 226' ' ' LEU . 2.4 pt? -60.93 150.55 32.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.911 0.884 . . . . 99.99 111.458 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -89.82 6.66 82.78 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.232 -0.44 . . . . 99.99 113.268 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -85.34 56.56 4.95 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.887 0.343 . . . . 99.99 113.184 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 62.35 46.93 92.86 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 123.304 0.478 . . . . 99.99 112.983 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -73.26 -15.64 61.42 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.882 0.697 . . . . 99.99 112.882 -174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -134.29 -72.75 0.48 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.73 -0.841 . . . . 99.99 108.73 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.466 HG22 ' H ' ' E' ' 233' ' ' PHE . 3.0 m -87.66 175.65 7.79 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 109.009 -0.738 . . . . 99.99 109.009 177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . 0.466 ' H ' HG22 ' E' ' 232' ' ' THR . 94.4 m-85 76.97 -71.74 0.11 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.497 1.519 . . . . 99.99 111.063 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 67.35 158.22 0.13 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.233 1.413 . . . . 99.99 111.146 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 66.73 -73.74 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.83 1.252 . . . . 99.99 110.344 -172.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 9.0 t -159.69 169.68 23.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.975 1.31 . . . . 99.99 109.202 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -110.42 86.65 2.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.03 0.932 . . . . 99.99 108.611 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 71.5 m -140.9 -63.26 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.382 0.673 . . . . 99.99 110.197 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -151.1 110.93 4.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.289 0.636 . . . . 99.99 109.362 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -61.39 -25.88 65.54 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 123.655 0.597 . . . . 99.99 113.445 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -153.72 162.07 41.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.919 0.887 . . . . 99.99 108.976 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 36.2 p90 -129.35 161.73 29.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 99.99 109.639 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . 0.449 ' HB3' HD21 ' E' ' 247' ' ' LEU . 75.6 mt-30 64.4 -149.7 0.28 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.974 0.91 . . . . 99.99 111.651 176.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 132.96 -130.18 5.69 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 111.408 -0.677 . . . . 99.99 111.408 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -84.69 7.35 20.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.293 0.637 . . . . 99.99 110.672 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' E' ' 251' ' ' ALA . 5.2 m -77.51 0.94 20.95 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 125.559 1.544 . . . . 99.99 111.753 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' E' ' 243' ' ' GLN . 4.4 mm? -90.92 -17.39 26.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 117.857 -1.068 . . . . 99.99 113.737 -173.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -52.3 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.385 0.883 . . . . 99.99 113.385 -155.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.02 -69.11 0.85 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.95 1.705 . . . . 99.99 111.495 146.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -86.5 -79.54 0.26 Allowed 'General case' 0 C--N 1.372 1.544 0 N-CA-C 109.733 -0.469 . . . . 99.99 109.733 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' E' ' 246' ' ' THR . . . -109.65 -77.95 0.59 Allowed 'General case' 0 C--N 1.362 1.121 0 CA-C-N 118.917 0.78 . . . . 99.99 110.71 152.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -102.19 -32.8 9.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.812 1.245 . . . . 99.99 112.135 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -42.56 -37.19 1.58 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.056 1.873 . . . . 99.99 116.056 -151.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -77.19 129.2 35.64 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.837 0.351 . . . . 99.99 111.529 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -79.28 98.63 1.64 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.544 -1.822 . . . . 99.99 108.544 163.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -52.03 120.11 5.04 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.209 1.004 . . . . 99.99 111.26 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 65.13 12.74 8.22 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.485 1.114 . . . . 99.99 112.264 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.16 89.5 5.44 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 106.853 -1.536 . . . . 99.99 106.853 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.72 -27.06 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.928 -1.033 . . . . 99.99 111.35 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 33.7 m 75.38 -56.29 0.61 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.508 1.523 . . . . 99.99 111.125 -175.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.69 53.81 2.83 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.499 0.719 . . . . 99.99 110.744 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.86 61.43 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.792 0.837 . . . . 99.99 109.597 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -80.8 -16.72 53.02 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.311 1.044 . . . . 99.99 111.816 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 46.3 m 66.09 35.32 6.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.029 1.331 . . . . 99.99 111.345 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 58.8 tp 70.77 -72.33 0.11 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.288 1.435 . . . . 99.99 112.719 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 75.85 -42.44 0.46 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.938 1.695 . . . . 99.99 113.072 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 38.7 p -77.3 81.25 3.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.436 0.695 . . . . 99.99 110.698 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 2.8 p -166.35 96.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 124.47 1.108 . . . . 99.99 108.783 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . 0.592 HG23 ' HG3' ' E' ' 432' ' ' GLN . 30.7 p 46.48 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.164 1.386 . . . . 99.99 112.995 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.84 114.95 1.29 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.232 0.613 . . . . 99.99 110.852 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -60.34 -21.26 61.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.624 1.17 . . . . 99.99 112.769 -172.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -73.76 -29.95 62.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 99.99 111.271 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -89.12 -53.59 4.5 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.736 0.815 . . . . 99.99 110.599 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.08 -39.42 10.61 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.806 0.669 . . . . 99.99 112.806 -167.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -95.65 125.75 48.04 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 112.198 0.444 . . . . 99.99 112.198 -159.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -96.58 -178.6 0.4 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.699 2.933 . . . . 99.99 113.118 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.621 HD13 ' H ' ' E' ' 278' ' ' LEU . 0.2 OUTLIER -164.97 165.94 19.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.734 0.813 . . . . 99.99 109.853 177.246 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.621 ' H ' HD13 ' E' ' 277' ' ' LEU . 1.9 tt -118.76 142.44 47.69 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.917 1.287 . . . . 99.99 109.58 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . 0.415 ' N ' HD23 ' E' ' 278' ' ' LEU . . . -152.86 71.6 0.28 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 123.538 0.524 . . . . 99.99 111.929 173.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -169.22 94.08 0.3 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.326 0.65 . . . . 99.99 110.116 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.694 ' HB2' HD21 ' C' ' 98' ' ' LEU . 42.9 t80 -174.63 64.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.937 0.895 . . . . 99.99 108.927 171.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -168.84 -170.91 1.25 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.539 -0.755 . . . . 99.99 110.384 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 33.3 t70 70.96 13.34 7.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.687 1.195 . . . . 99.99 112.018 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 124.73 177.84 15.1 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 116.187 -0.46 . . . . 99.99 112.303 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' C' ' 45' ' ' ASP . 7.2 t30 -149.88 154.57 38.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.439 0.695 . . . . 99.99 110.339 -176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.426 ' HB2' HD12 ' C' ' 136' ' ' LEU . 2.7 mpp? -58.28 118.88 30.78 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.673 1.189 . . . . 99.99 110.295 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . 0.576 ' HD2' ' HD1' ' C' ' 140' ' ' TYR . 18.3 Cg_endo -57.8 107.23 0.29 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.676 2.251 . . . . 99.99 111.327 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.513 ' HA ' HD11 ' C' ' 136' ' ' LEU . 60.7 t -63.98 97.04 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.065 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.562 ' HB2' ' HB3' ' C' ' 145' ' ' ALA . 3.6 ppt_? -65.27 111.2 2.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.252 -0.886 . . . . 99.99 108.723 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.579 ' HE1' HG13 ' C' ' 40' ' ' VAL . 63.7 t-105 -87.96 153.66 21.12 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.18 -0.918 . . . . 99.99 110.748 -174.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.58 -61.05 1.92 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.91 1.284 . . . . 99.99 110.773 -173.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 160.91 -150.33 20.11 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.327 -0.707 . . . . 99.99 113.68 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -59.45 135.15 62.98 Favored 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 123.511 2.808 . . . . 99.99 112.912 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -155.13 83.41 1.07 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.244 0.618 . . . . 99.99 110.371 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . 44.02 33.51 0.79 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.484 1.513 . . . . 99.99 114.752 165.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' C' ' 38' ' ' PRO . 7.5 m -69.5 -21.55 63.67 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.971 0.909 . . . . 99.99 112.295 -168.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.98 31.28 1.6 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.322 0.582 . . . . 99.99 109.494 174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -92.08 75.77 5.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.142 -1.059 . . . . 99.99 108.142 173.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.12 27.02 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.013 -0.539 . . . . 99.99 113.369 -172.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -95.31 -30.42 13.96 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.845 0.858 . . . . 99.99 110.936 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 41.6 mt 73.51 130.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 125.021 1.329 . . . . 99.99 111.813 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.44 107.85 2.18 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 122.735 0.414 . . . . 99.99 110.051 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.54 ' HD3' ' HB2' ' E' ' 3' ' ' GLN . 0.0 OUTLIER -145.75 107.56 4.34 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.359 -0.608 . . . . 99.99 109.359 163.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.52 ' HB3' ' HB1' ' B' ' 129' ' ' ALA . 64.7 Cg_endo -80.02 -166.76 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 122.798 2.332 . . . . 99.99 111.905 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' E' ' 62' ' ' LYS . . . -149.57 80.03 1.39 Allowed 'General case' 0 C--O 1.238 0.468 0 N-CA-C 106.85 -1.537 . . . . 99.99 106.85 170.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.448 HG11 ' H ' ' B' ' 132' ' ' ASN . 14.9 m -141.4 123.99 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.059 0.944 . . . . 99.99 110.228 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 67.1 m -135.87 145.59 46.53 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.226 -1.027 . . . . 99.99 108.226 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' E' ' 65' ' ' LYS . 17.1 p -69.41 115.21 8.41 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.405 -0.961 . . . . 99.99 108.405 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 34.1 m -84.31 106.87 9.11 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 123.766 0.826 . . . . 99.99 109.849 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . 0.409 ' HG2' HG22 ' E' ' 80' ' ' ILE . 84.8 Cg_endo -88.85 139.73 3.92 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 123.126 2.551 . . . . 99.99 112.582 -176.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.85 71.96 9.58 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 115.33 -0.85 . . . . 99.99 109.497 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -92.65 129.38 0.87 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.953 2.435 . . . . 99.99 112.111 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . 0.622 ' H ' HG22 ' E' ' 318' ' ' VAL . 1.6 tm0? -71.86 -46.02 59.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.929 -0.767 . . . . 99.99 108.929 175.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -117.03 -98.94 0.45 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 171.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . 0.484 ' ND2' ' HA ' ' E' ' 77' ' ' ASP . 16.6 m120 -142.8 13.2 1.89 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.993 0.917 . . . . 99.99 109.376 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -158.45 -152.98 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.967 0.907 . . . . 99.99 109.746 -162.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 16.0 m -56.92 116.78 3.39 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.615 1.166 . . . . 99.99 111.801 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . 0.622 HG22 ' H ' ' E' ' 313' ' ' GLN . 99.6 t -75.26 133.32 75.0 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.189 -1.041 . . . . 99.99 108.189 173.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.62 89.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.769 2.313 . . . . 99.99 112.205 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 88.2 m -97.3 119.63 36.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.937 -1.029 . . . . 99.99 108.762 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.57 -85.33 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.999 -0.741 . . . . 99.99 108.999 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 44.66 42.11 5.51 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.17 0.988 . . . . 99.99 111.199 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.454 ' HB2' HG12 ' E' ' 329' ' ' ILE . 18.9 pt20 -103.05 -34.4 8.91 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.658 -1.155 . . . . 99.99 110.078 -171.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.413 ' HG3' ' HG3' ' E' ' 323' ' ' GLN . 63.4 mtt -88.75 22.23 2.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.171 0.988 . . . . 99.99 110.239 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.2 t -77.58 73.5 4.14 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.024 0.916 . . . . 99.99 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 11.3 t70 72.52 -27.17 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.264 1.426 . . . . 99.99 113.433 170.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.746 ' HG3' HD12 ' E' ' 331' ' ' LEU . 14.2 ttmm -166.49 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 115.109 1.522 . . . . 99.99 115.109 -156.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -40.33 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.744 1.217 . . . . 99.99 114.163 -160.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' E' ' 323' ' ' GLN . 2.9 pp -86.96 -21.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.244 0.218 . . . . 99.99 110.84 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.06 -51.68 55.88 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 99.99 112.136 -165.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.746 HD12 ' HG3' ' E' ' 327' ' ' LYS . 82.8 mt -88.86 1.31 55.54 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.04 0.536 . . . . 99.99 111.719 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' E' ' 333' ' ' SER . 1.1 pt? 33.69 -69.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 127.868 2.467 . . . . 99.99 116.448 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . 0.423 ' H ' ' HG ' ' E' ' 332' ' ' LEU . 24.1 m -59.46 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.391 1.076 . . . . 99.99 112.389 -174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' E' ' 334' ' ' LYS . 0.1 OUTLIER 164.06 -164.38 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.058 2.143 . . . . 99.99 107.755 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -117.85 174.29 6.27 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.196 0.598 . . . . 99.99 109.912 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . 0.477 ' HG2' ' HG3' ' B' ' 90' ' ' GLU . 0.0 OUTLIER -59.75 -25.57 64.97 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.706 1.202 . . . . 99.99 112.178 178.353 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -84.16 62.76 7.29 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.743 0.783 . . . . 99.99 109.108 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -90.33 45.85 2.99 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.579 -0.737 . . . . 99.99 111.361 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -98.14 124.12 42.52 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 108.511 -0.922 . . . . 99.99 108.511 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -61.26 -27.33 68.38 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.657 0.598 . . . . 99.99 111.073 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 3.5 pp 53.45 9.04 0.15 Allowed 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 127.082 2.153 . . . . 99.99 114.757 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -88.32 68.14 8.86 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 107.668 -1.234 . . . . 99.99 107.668 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 32.2 m -106.18 143.95 16.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 114.925 -1.034 . . . . 99.99 109.725 -177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.46 145.39 55.04 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 108.326 -0.99 . . . . 99.99 108.326 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.54 -57.22 18.95 Favored Glycine 0 C--N 1.347 1.158 0 O-C-N 123.355 0.409 . . . . 99.99 112.41 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 178.2 -76.96 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.659 1.184 . . . . 99.99 109.463 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 69.9 m 52.25 24.69 2.95 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.663 1.185 . . . . 99.99 112.806 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.88 156.51 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.37 0.605 . . . . 99.99 111.734 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -108.08 154.05 22.25 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.622 1.169 . . . . 99.99 108.965 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.27 -50.98 68.12 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.098 0.874 . . . . 99.99 109.422 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 61.54 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.292 1.437 . . . . 99.99 113.176 167.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.18 -35.5 8.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.85 1.26 . . . . 99.99 110.044 -176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' E' ' 26' ' ' MET . 50.3 m170 -82.7 -2.36 53.92 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.896 0.879 . . . . 99.99 112.518 -174.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -63.17 97.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.231 0.613 . . . . 99.99 110.133 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.01 40.26 18.97 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.32 1.048 . . . . 99.99 112.037 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -66.25 -48.0 59.26 Favored Pre-proline 0 CA--C 1.566 1.568 0 CA-C-O 118.333 -0.841 . . . . 99.99 112.51 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.56 85.31 0.59 Allowed 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 121.893 1.729 . . . . 99.99 111.636 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.2 m -74.5 -56.37 4.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.121 0.969 . . . . 99.99 110.987 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 89.12 74.54 1.29 Allowed Glycine 0 C--N 1.347 1.176 0 CA-C-N 116.152 -0.476 . . . . 99.99 112.032 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 69.72 -73.42 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.883 1.673 . . . . 99.99 111.85 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.445 ' H ' HD13 ' E' ' 361' ' ' ILE . 0.2 OUTLIER -133.89 5.69 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.146 0.978 . . . . 99.99 110.742 178.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -57.12 113.03 4.03 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 123.788 0.68 . . . . 99.99 112.483 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.52 -41.31 80.6 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.403 1.081 . . . . 99.99 110.94 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 80.1 p 47.53 70.3 0.43 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.439 1.496 . . . . 99.99 112.55 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.69 165.93 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.406 -0.815 . . . . 99.99 110.4 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.93 152.66 35.89 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.221 0.608 . . . . 99.99 111.373 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.84 -36.41 69.97 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.824 1.25 . . . . 99.99 113.019 -164.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' E' ' 372' ' ' GLN . 9.7 p-10 -61.0 -53.43 57.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.499 0.499 . . . . 99.99 110.107 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' E' ' 373' ' ' ARG . 43.1 tt0 -71.89 -33.84 68.66 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.508 0.723 . . . . 99.99 110.834 -176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.07 87.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.625 0.77 . . . . 99.99 110.614 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.66 -37.96 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.097 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 368' ' ' ASP . 73.6 mt-30 -61.45 -58.89 6.38 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.116 0.566 . . . . 99.99 111.453 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' E' ' 369' ' ' GLU . 12.2 ptp180 -67.3 -40.32 86.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.338 0.655 . . . . 99.99 111.389 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' E' ' 378' ' ' ALA . . . -81.31 -14.87 56.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.964 0.905 . . . . 99.99 112.391 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -39.24 -58.65 1.15 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.372 1.869 . . . . 99.99 115.493 -159.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.18 -77.6 0.28 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 118.466 -0.778 . . . . 99.99 112.34 -159.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -95.01 -88.92 0.24 Allowed 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.179 1.354 . . . . 99.99 110.735 171.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' E' ' 374' ' ' ALA . . . -106.06 -61.83 1.46 Allowed 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.2 1.4 . . . . 99.99 112.037 161.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.24 -38.4 14.26 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 113.42 -1.718 . . . . 99.99 114.991 -155.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.67 157.31 19.86 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.196 0.522 . . . . 99.99 111.57 -169.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.99 143.76 28.73 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.497 -1.229 . . . . 99.99 110.572 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . -80.79 -77.74 0.97 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.233 -1.147 . . . . 99.99 110.233 170.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -164.98 81.87 0.36 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.547 1.139 . . . . 99.99 108.76 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 86.2 m -140.55 91.39 2.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.55 -0.75 . . . . 99.99 110.392 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.3 -78.83 0.44 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 106.918 -1.512 . . . . 99.99 106.918 167.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 23.3 m -127.18 137.28 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.761 1.224 . . . . 99.99 107.717 168.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 38.6 pt -88.19 103.64 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.28 0.562 . . . . 99.99 109.623 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.19 112.01 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-O 121.572 0.701 . . . . 99.99 109.413 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 5.3 t -142.85 123.01 13.71 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.847 -0.615 . . . . 99.99 111.585 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.46 91.93 5.41 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.17 -1.419 . . . . 99.99 107.17 167.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -123.76 144.57 49.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.576 0.751 . . . . 99.99 111.605 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 54.6 m80 65.96 167.09 0.2 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.317 1.447 . . . . 99.99 111.958 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -84.13 150.64 25.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.086 0.554 . . . . 99.99 111.434 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.64 -16.58 34.04 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.718 0.807 . . . . 99.99 112.25 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -136.2 -46.3 0.63 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.26 1.024 . . . . 99.99 109.632 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 40.3 t -75.81 82.68 2.75 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.391 -0.822 . . . . 99.99 110.382 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -67.28 131.65 46.16 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.398 -0.819 . . . . 99.99 109.276 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 5.0 tp -65.72 94.41 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 122.084 0.945 . . . . 99.99 110.628 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.39 -44.6 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 114.451 -1.25 . . . . 99.99 109.449 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 58.11 97.71 0.04 OUTLIER Pre-proline 0 C--N 1.36 1.063 0 C-N-CA 125.393 1.477 . . . . 99.99 111.254 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.5 129.18 31.33 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.329 2.02 . . . . 99.99 111.665 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.5 -43.57 98.63 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.989 0.916 . . . . 99.99 110.938 -173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.7 m 63.2 85.02 0.14 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.855 1.262 . . . . 99.99 111.02 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -152.93 112.83 3.93 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 -177.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -103.92 128.66 26.77 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.425 0.69 . . . . 99.99 110.853 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.26 158.32 57.53 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.524 2.149 . . . . 99.99 111.843 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 162.73 -138.36 5.31 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.789 -0.925 . . . . 99.99 110.789 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 69.15 -69.97 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.497 1.519 . . . . 99.99 111.24 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 9.6 t -58.61 137.78 57.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.018 0.927 . . . . 99.99 112.047 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -165.43 -42.93 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.907 1.283 . . . . 99.99 107.625 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -112.65 144.92 41.34 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.275 -1.38 . . . . 99.99 107.275 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.43 -32.28 73.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.977 0.511 . . . . 99.99 111.22 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 78.42 -42.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.143 1.777 . . . . 99.99 111.362 174.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 64.8 p -53.13 134.48 38.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.172 1.389 . . . . 99.99 111.826 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -59.01 151.23 22.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.306 0.642 . . . . 99.99 110.539 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -59.58 -14.2 12.35 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.495 1.118 . . . . 99.99 113.244 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 109.35 24.51 5.9 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 111.479 -0.648 . . . . 99.99 111.479 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . 0.433 ' O ' HG12 ' E' ' 421' ' ' VAL . . . 82.23 -42.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.735 1.614 . . . . 99.99 112.188 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p 51.69 23.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 126.616 1.966 . . . . 99.99 113.197 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 61.6 mtm 64.81 23.0 12.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.374 1.07 . . . . 99.99 112.372 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.433 HG12 ' O ' ' E' ' 418' ' ' ALA . 9.8 p -97.61 25.98 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.501 0.667 . . . . 99.99 110.506 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 44.9 ttm 75.5 4.54 4.03 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.436 1.494 . . . . 99.99 111.897 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 9.3 t -80.76 77.54 7.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.46 0.648 . . . . 99.99 109.566 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -71.23 -23.26 61.97 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.031 0.932 . . . . 99.99 111.069 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 116.8 -157.56 14.98 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.53 -0.759 . . . . 99.99 111.994 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.57 156.1 11.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.831 1.252 . . . . 99.99 107.828 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 20.3 p -71.44 -63.64 1.08 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.352 -0.61 . . . . 99.99 109.352 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 69.46 -10.75 0.54 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.101 1.361 . . . . 99.99 113.138 173.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -90.62 6.42 43.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.167 0.987 . . . . 99.99 110.069 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.61 -27.29 48.64 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.307 1.443 . . . . 99.99 113.911 -170.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 64.5 m -61.55 -26.9 68.24 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.099 0.56 . . . . 99.99 111.771 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.592 ' HG3' HG23 ' E' ' 269' ' ' THR . 6.7 tp-100 -73.42 -36.98 66.06 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.138 0.975 . . . . 99.99 111.546 -177.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.28 -39.53 15.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.52 0.328 . . . . 99.99 110.267 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -64.47 -57.69 8.52 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.282 1.033 . . . . 99.99 111.033 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m -144.62 70.73 1.29 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.926 0.869 . . . . 99.99 108.826 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -136.09 -97.72 0.52 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 109.477 -1.449 . . . . 99.99 109.477 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 24.1 t 72.83 -62.69 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.38 1.472 . . . . 99.99 112.455 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 78.13 138.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.997 1.719 . . . . 99.99 110.371 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 3.9 pp -136.39 176.0 9.1 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.898 0.879 . . . . 99.99 109.751 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.436 ' HB3' ' HB2' ' E' ' 443' ' ' ALA . 0.3 OUTLIER -95.65 126.9 41.24 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.141 -0.689 . . . . 99.99 109.141 178.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.16 132.47 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 122.94 0.496 . . . . 99.99 109.809 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.83 -74.4 0.08 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.144 1.378 . . . . 99.99 110.602 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' C' ' 8' ' ' GLU . . . 58.56 78.23 0.26 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.906 1.282 . . . . 99.99 112.347 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' C' ' 5' ' ' ASN . 5.0 p90 -137.24 -59.12 0.7 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.501 0.72 . . . . 99.99 109.703 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.3 -173.04 30.79 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-O 119.982 -0.343 . . . . 99.99 113.418 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.14 130.85 13.51 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 123.275 2.65 . . . . 99.99 112.344 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -85.55 -10.04 56.51 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.467 0.707 . . . . 99.99 111.6 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . -66.25 116.87 7.76 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.574 0.749 . . . . 99.99 111.911 -172.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -165.9 108.74 0.78 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.024 0.929 . . . . 99.99 109.369 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -175.66 154.0 1.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.94 0.896 . . . . 99.99 109.239 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.3 150.66 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 109.368 -0.604 . . . . 99.99 109.368 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.471 HG23 HD12 ' A' ' 86' ' ' ILE . 34.3 m -85.56 169.93 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 124.514 1.126 . . . . 99.99 112.279 -174.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.58 169.55 41.72 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.521 -0.763 . . . . 99.99 113.028 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 44.2 tp -142.4 153.07 43.44 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.288 1.035 . . . . 99.99 109.463 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . 0.406 HG23 ' N ' ' E' ' 456' ' ' ASP . 9.0 t -160.35 -59.04 0.06 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.768 0.427 . . . . 99.99 111.072 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . 0.406 ' N ' HG23 ' E' ' 455' ' ' THR . 8.1 p-10 179.14 -157.99 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.008 1.323 . . . . 99.99 108.747 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 74.52 99.2 0.07 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.753 1.621 . . . . 99.99 110.457 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 32.7 p -112.02 88.34 2.78 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.891 0.877 . . . . 99.99 110.401 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -164.32 153.26 13.34 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.193 1.397 . . . . 99.99 108.554 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 15.4 tp -132.41 144.36 50.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.958 0.885 . . . . 99.99 110.06 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.525 ' H ' ' HD1' ' E' ' 461' ' ' PHE . 2.8 p90 -76.0 -173.82 2.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.948 1.699 . . . . 99.99 112.555 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -167.11 -164.01 0.58 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.948 1.699 . . . . 99.99 108.516 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 28.1 m 74.18 116.34 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.321 1.448 . . . . 99.99 111.781 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' E' ' 464' ' ' MET . 1.1 pmm? -128.12 175.14 8.65 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.798 1.239 . . . . 99.99 108.593 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -68.15 -57.81 5.46 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.878 0.471 . . . . 99.99 111.163 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -103.76 122.27 44.73 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -64.05 156.64 27.56 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 123.86 0.725 . . . . 99.99 110.22 174.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 40' ' ' VAL . 3.4 tm? -55.09 -40.98 71.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.832 0.708 . . . . 99.99 110.192 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 66.0 92.55 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 O-C-N 123.851 0.719 . . . . 99.99 113.3 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.521 ' HG ' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.31 95.23 2.13 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.248 -0.649 . . . . 99.99 109.248 -176.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 107.202 -1.407 . . . . 99.99 107.202 174.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.801 0.334 . . . . 99.99 111.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -161.1 120.16 2.54 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.649 -1.241 . . . . 99.99 107.649 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.15 -47.85 59.91 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.691 0.758 . . . . 99.99 110.215 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -163.82 -56.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 105.968 -1.864 . . . . 99.99 105.968 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -145.2 176.73 9.32 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.653 1.581 . . . . 99.99 108.045 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -83.02 139.91 33.01 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.678 -0.86 . . . . 99.99 108.678 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.3 p -80.6 75.41 7.48 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.843 0.857 . . . . 99.99 111.088 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -74.58 -55.69 5.64 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.654 -0.869 . . . . 99.99 108.654 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -134.46 136.18 43.01 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 106.837 -1.542 . . . . 99.99 106.837 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -159.59 145.24 15.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.722 0.773 . . . . 99.99 112.763 -170.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 101' ' ' TYR . 26.6 t80 -135.05 118.36 16.69 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 106.906 -1.516 . . . . 99.99 106.906 160.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -140.37 113.56 8.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.946 0.498 . . . . 99.99 109.905 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.546 HG12 ' HD2' ' A' ' 84' ' ' PHE . 42.7 mt -80.89 111.05 17.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.339 -0.985 . . . . 63.61 108.339 167.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -95.86 -21.33 18.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.368 0.667 . . . . 99.99 109.421 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.427 HH12 ' HA ' ' B' ' 29' ' ' PRO . 53.3 ttt180 -163.48 132.14 3.84 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 116.173 -0.467 . . . . 87.02 110.823 -168.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -127.87 127.13 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 107.491 -1.3 . . . . 27.8 107.491 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HE1' HG13 ' A' ' 83' ' ' ILE . 10.4 p90 -156.25 144.66 19.95 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.16 0.984 . . . . 37.37 109.882 -166.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -77.62 123.14 26.24 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.925 -0.769 . . . . 12.57 108.925 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' ' HD3' ' B' ' 29' ' ' PRO . 43.1 mtpt -89.23 -46.27 8.91 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.087 0.47 . . . . 37.56 110.36 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.4 t70 -135.96 142.97 44.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.127 -0.942 . . . . 38.09 108.606 -174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.0 mt -150.32 148.01 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.883 1.273 . . . . 5.43 108.539 -173.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 t -152.88 135.26 15.07 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.67 0.606 . . . . 6.92 110.351 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 69.7 t80 -137.77 110.55 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 106.867 -1.531 . . . . 5.61 106.867 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 75' ' ' LEU . 42.6 mt-10 -120.38 110.21 16.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.594 -0.891 . . . . 36.27 108.594 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -113.95 82.27 6.71 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 108.613 -0.884 . . . . 12.68 108.613 173.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.12 -37.34 10.84 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.764 2.309 . . . . 32.78 111.704 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -99.51 26.01 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.894 -1.048 . . . . 80.05 110.569 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -56.93 -46.32 99.88 Favored Pre-proline 0 CA--C 1.567 1.614 0 C-N-CA 123.935 0.894 . . . . 31.49 113.11 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 97.4 Cg_endo -85.74 -13.57 5.78 Favored 'Trans proline' 0 C--N 1.393 2.911 0 C-N-CA 121.668 1.578 . . . . 44.68 113.406 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -79.06 -12.13 60.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.1 0.56 . . . . 99.99 111.385 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -47.1 -34.82 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.018 1.327 . . . . 99.99 112.985 175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -80.1 -37.82 32.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.971 0.508 . . . . 99.99 111.322 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -83.84 -52.33 6.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.986 0.514 . . . . 99.99 111.771 -171.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -85.85 167.57 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.729 0.299 . . . . 99.99 111.051 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' O ' HD22 ' A' ' 68' ' ' LEU . 24.0 t70 -67.05 117.41 9.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.388 -0.824 . . . . 99.99 109.368 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -96.2 70.59 2.78 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.55 0.69 . . . . 99.99 110.442 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.46 75.94 79.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 123.945 0.898 . . . . 99.99 108.648 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -85.77 160.84 10.58 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.547 2.164 . . . . 57.34 113.466 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.35 124.69 43.15 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.629 1.172 . . . . 99.99 109.773 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' THR . 89.4 t -89.37 97.18 6.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.105 0.562 . . . . 48.36 110.969 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -87.48 115.54 24.98 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.018 -0.734 . . . . 99.99 109.018 169.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' E' ' 464' ' ' MET . 5.6 tt -99.05 128.82 45.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 107.432 -1.322 . . . . 97.85 107.432 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 21.1 t70 -125.86 135.86 52.43 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.112 0.965 . . . . 85.15 109.18 -173.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -121.02 142.77 49.5 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.25 0.62 . . . . 99.99 111.823 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 14.8 t70 -147.87 137.51 22.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.69 1.196 . . . . 78.84 109.155 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 HD22 ' E' ' 454' ' ' LEU . 57.0 m -106.63 135.07 48.79 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.395 -0.595 . . . . 43.33 109.395 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -130.61 154.88 47.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.472 1.109 . . . . 41.53 109.284 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' E' ' 452' ' ' VAL . 13.8 m -132.39 162.4 31.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.175 0.59 . . . . 88.8 110.329 -173.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 t -165.49 152.83 10.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.489 0.716 . . . . 73.87 110.607 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.89 117.6 34.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.791 -1.188 . . . . 99.99 107.791 169.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 57' ' ' GLU . 41.3 mt -91.5 -33.9 15.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.249 0.62 . . . . 99.99 110.73 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.07 -173.89 1.89 Allowed 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.518 1.127 . . . . 99.99 109.214 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.25 127.6 33.53 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.045 -0.525 . . . . 99.99 109.744 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 68.25 4.57 4.23 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.766 1.226 . . . . 99.99 112.186 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.53 107.68 18.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 C-N-CA 124.359 1.063 . . . . 99.99 108.439 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -124.98 162.73 23.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.081 0.953 . . . . 99.99 110.046 -175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 51' ' ' LEU . 25.7 tt0 -131.65 145.12 51.5 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.828 -1.078 . . . . 57.04 110.47 -173.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.5 t -129.57 127.52 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.761 -1.57 . . . . 54.22 106.761 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 58.6 t -106.93 147.88 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.999 0.919 . . . . 29.36 108.728 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.74 113.16 17.6 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 107.621 -1.251 . . . . 19.86 107.621 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 20.2 ttp180 -91.42 112.53 24.48 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.202 -0.908 . . . . 99.99 109.79 176.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG13 HD21 ' A' ' 42' ' ' LEU . 45.0 t -104.39 137.86 31.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 107.944 -1.132 . . . . 13.6 107.944 169.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.672 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.5 m -130.31 107.16 9.06 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.706 -0.849 . . . . 17.22 108.706 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG21 HG21 ' A' ' 114' ' ' ILE . 90.7 t -101.85 107.4 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.253 -1.017 . . . . 14.92 108.253 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 21.2 m -111.22 131.7 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.849 -0.797 . . . . 21.43 108.849 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.4 102.68 8.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.6 -1.63 . . . . 23.61 106.6 172.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 8.7 t -130.83 133.09 45.64 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.172 0.295 . . . . 57.75 111.129 -171.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 35' ' ' ASP . 38.5 tp -93.12 86.03 5.25 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.77 -1.196 . . . . 99.99 107.77 168.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.96 -120.58 5.18 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.577 -1.009 . . . . 93.1 110.577 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -93.87 -25.29 17.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.243 0.617 . . . . 99.99 110.079 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -80.39 107.14 12.94 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.784 0.834 . . . . 99.99 110.244 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 67' ' ' SER . 24.1 m -87.94 136.09 33.12 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.842 0.857 . . . . 30.12 112.135 -172.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.28 -62.65 1.41 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.588 1.155 . . . . 22.88 109.137 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -154.92 151.5 28.62 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.635 -1.166 . . . . 30.01 111.068 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' NH1' ' E' ' 440' ' ' ARG . 43.3 tp -117.84 140.77 49.23 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.793 1.237 . . . . 14.44 108.331 172.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 118' ' ' VAL . 72.3 m -136.31 96.9 3.46 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.57 -0.9 . . . . 14.43 108.57 170.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -111.16 136.66 49.9 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.039 -1.467 . . . . 35.14 107.039 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.55 124.89 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 123.731 0.812 . . . . 9.47 109.178 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 30.4 mt-30 -101.15 85.76 2.89 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 125.107 1.363 . . . . 43.33 108.516 171.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -81.34 109.41 15.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 113.9 -1.5 . . . . 15.31 109.122 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.44 175.64 19.02 Favored Glycine 0 C--N 1.341 0.846 0 CA-C-N 116.315 -0.402 . . . . 20.02 112.367 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.12 144.65 10.27 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.887 -0.485 . . . . 41.88 111.887 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' A' ' 17' ' ' TYR . 47.3 mt -81.79 126.5 39.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.897 -0.779 . . . . 66.87 108.897 171.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.546 ' HD2' HG12 ' A' ' 13' ' ' ILE . 19.3 m-85 -128.05 119.52 25.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.346 -0.983 . . . . 77.52 108.346 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.9 m -81.29 91.37 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.336 -0.987 . . . . 99.99 108.336 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 98' ' ' LEU . 6.8 pt -128.79 118.5 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.92 0.888 . . . . 99.99 110.421 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.01 168.71 1.58 Allowed 'General case' 0 C--O 1.246 0.888 0 C-N-CA 125.729 1.612 . . . . 99.99 108.756 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.84 10.87 85.8 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.78 -0.646 . . . . 99.99 111.574 -168.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 94' ' ' MET . 2.0 pp -134.75 155.59 38.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 C-N-CA 124.455 1.102 . . . . 99.99 110.662 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.51 -176.73 5.51 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.359 1.063 . . . . 99.99 109.956 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.07 -132.37 30.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 119.688 -0.507 . . . . 99.99 112.866 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.7 t -63.68 -39.5 94.46 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.14 0.576 . . . . 99.99 111.321 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -50.43 -63.67 1.05 Allowed 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.69 1.196 . . . . 99.99 110.869 -170.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 95' ' ' ALA . 3.9 ppp? -65.9 -42.86 89.67 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 124.072 0.858 . . . . 99.99 110.589 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' N ' ' SD ' ' A' ' 94' ' ' MET . . . -55.04 -42.36 72.55 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.801 0.841 . . . . 99.99 112.747 -171.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -86.23 -31.18 21.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.498 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.37 -64.83 0.8 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.755 0.422 . . . . 99.99 111.012 -174.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 86' ' ' ILE . 1.6 pp -77.97 -17.28 57.35 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.348 0.499 . . . . 99.99 112.348 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.48 -36.55 4.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.052 0.781 . . . . 99.99 115.052 -170.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -127.79 -39.46 1.79 Allowed 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.315 0.558 . . . . 95.56 111.667 -171.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' HE2' ' CE1' ' A' ' 11' ' ' PHE . 17.3 t80 -72.21 -68.07 0.49 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.93 0.892 . . . . 94.48 110.909 -177.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 83.5 m -53.56 -50.56 82.52 Favored Pre-proline 0 CA--C 1.559 1.304 0 CA-C-O 117.645 -1.169 . . . . 73.2 112.442 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -59.96 -46.53 18.96 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 121.756 1.637 . . . . 48.9 112.886 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -67.07 -30.85 71.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.718 -0.614 . . . . 94.19 111.856 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.591 HD11 ' H ' ' A' ' 134' ' ' ASP . 36.0 mm -89.36 -12.66 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.118 0.567 . . . . 55.88 110.191 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mt -72.32 -19.06 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.34 0.656 . . . . 21.71 110.781 164.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.85 -45.97 87.63 Favored Pre-proline 0 CA--C 1.557 1.244 0 N-CA-C 113.782 1.03 . . . . 15.39 113.782 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.0 -33.49 95.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 121.827 1.685 . . . . 9.95 113.573 171.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 112' ' ' GLU . 91.6 m-85 -77.86 -30.0 50.69 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.999 0.52 . . . . 20.66 111.301 178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.79 68.69 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.487 -0.56 . . . . 7.34 109.487 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' C' ' 105' ' ' ILE . 39.2 ttm105 -63.02 -39.93 96.22 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.689 1.196 . . . . 15.45 110.065 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 109' ' ' TYR . 16.8 tt0 -53.2 -47.3 69.03 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.984 1.314 . . . . 46.26 111.082 175.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.54 -48.27 41.59 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.049 -0.978 . . . . 4.41 111.431 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 118' ' ' VAL . 42.3 mt -55.98 -52.99 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.262 1.425 . . . . 7.34 111.467 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.406 HG21 ' NE2' ' A' ' 125' ' ' GLN . 61.8 m -58.95 -40.4 84.56 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 124.098 0.874 . . . . 7.28 111.308 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.3 t -65.8 -36.0 82.28 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.722 -0.672 . . . . 4.96 110.526 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 47.9 mtp -67.0 -41.09 87.31 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.725 0.81 . . . . 48.88 110.689 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 114' ' ' ILE . 51.2 t -62.08 -46.92 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.574 0.75 . . . . 26.6 110.461 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 p -68.23 -34.73 76.77 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.285 0.634 . . . . 17.97 111.867 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.471 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 94.4 mtt-85 -67.72 -29.94 69.31 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.123 0.569 . . . . 8.38 110.567 172.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.53 ' HA2' ' HB ' ' B' ' 18' ' ' THR . . . -71.73 -3.51 55.18 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 123.9 0.75 . . . . 6.18 113.458 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 85.4 m 63.27 32.16 15.0 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 123.728 1.728 . . . . 20.1 108.84 -175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -108.49 150.15 40.28 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 112.94 -1.936 . . . . 13.71 108.632 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.855 ' HB3' ' HA ' ' E' ' 132' ' ' SER . 54.9 Cg_exo -57.25 147.61 75.51 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 123.926 3.084 . . . . 20.05 114.68 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.484 HE21 HD21 ' A' ' 127' ' ' ASN . 47.5 tp60 -54.93 115.21 2.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.185 0.994 . . . . 39.31 109.873 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.4 tp -120.11 121.43 38.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.917 0.887 . . . . 56.76 108.797 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.484 HD21 HE21 ' A' ' 125' ' ' GLN . 16.7 m120 -118.84 119.79 35.43 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.921 0.888 . . . . 38.41 108.97 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 42' ' ' LEU . 76.4 mt -73.33 159.7 32.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.825 0.85 . . . . 62.97 111.182 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.81 128.69 87.03 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.865 0.866 . . . . 56.46 111.496 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.534 ' HB3' HG13 ' C' ' 105' ' ' ILE . 72.5 Cg_endo -73.68 133.12 18.22 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.991 2.461 . . . . 77.42 112.979 -177.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.56 114.86 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.922 0.889 . . . . 99.99 110.34 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -109.43 93.67 4.63 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.77 0.828 . . . . 99.99 110.93 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.21 -36.86 85.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.262 0.225 . . . . 99.99 110.42 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.591 ' H ' HD11 ' A' ' 105' ' ' ILE . 4.6 p-10 -60.48 -44.79 95.54 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.669 0.606 . . . . 99.99 111.036 -171.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.95 78.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.828 0.705 . . . . 99.99 111.423 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' E' ' 142' ' ' LEU . 9.5 tt -65.9 -38.57 89.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.96 0.904 . . . . 99.99 111.019 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -89.86 -26.75 20.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.472 0.309 . . . . 99.99 111.336 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 4.1 tpt -56.6 -44.14 80.82 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.164 0.986 . . . . 99.99 111.276 -174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 143' ' ' GLN . 7.3 p30 -60.23 -39.58 87.16 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.078 0.861 . . . . 99.99 111.766 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -68.84 -45.97 69.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.108 0.563 . . . . 99.99 110.452 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.2 tp -62.19 -49.6 75.15 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.88 -1.055 . . . . 99.99 111.101 -166.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 175.03 -18.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 124.544 1.152 . . . . 99.99 111.694 172.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 139' ' ' ASN . 20.5 pt20 47.35 17.46 0.08 Allowed 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 126.692 1.997 . . . . 99.99 116.136 177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -83.02 70.34 10.0 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.786 0.803 . . . . 99.99 110.796 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 60.38 24.55 14.07 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.273 1.029 . . . . 99.99 111.184 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.423 ' HA2' ' SD ' ' A' ' 138' ' ' MET . . . 105.07 -126.71 8.77 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.889 -0.884 . . . . 99.99 110.889 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -16.22 0.28 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.843 0.857 . . . . 99.99 111.955 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.25 -30.79 18.63 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.951 -0.361 . . . . 99.99 113.145 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m 71.56 -70.15 0.17 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.112 1.765 . . . . 99.99 112.046 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -68.42 135.79 52.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.934 0.894 . . . . 99.99 111.318 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.96 -45.03 2.99 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.18 0.992 . . . . 99.99 110.525 173.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -174.82 -71.35 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.246 0.619 . . . . 99.99 110.632 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.67 -21.5 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.383 0.673 . . . . 99.99 111.927 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 22.5 t70 67.25 -88.98 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.029 1.732 . . . . 99.99 112.143 174.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 123.426 0.69 . . . . 99.99 109.786 -176.238 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.148 -0.316 . . . . 99.99 110.148 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -85.33 32.67 0.56 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.563 1.145 . . . . 99.99 111.168 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.54 -48.56 64.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.331 -0.989 . . . . 99.99 108.331 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.87 128.19 56.39 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 106.135 -1.802 . . . . 99.99 106.135 170.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -74.29 86.32 1.96 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.704 0.802 . . . . 99.99 111.041 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 169.08 -34.14 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 128.084 2.554 . . . . 99.99 107.138 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.45 HG21 ' HB3' ' E' ' 174' ' ' GLN . 24.4 p 76.89 -44.0 0.46 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.366 2.266 . . . . 99.99 112.864 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.12 30.3 20.05 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.306 1.042 . . . . 99.99 109.025 -172.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.473 ' HE1' HG23 ' B' ' 86' ' ' ILE . 15.3 ptm 57.02 -177.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.344 1.858 . . . . 99.99 112.671 -172.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -134.74 112.07 10.46 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.977 -1.49 . . . . 99.99 106.977 172.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' SER . 7.5 t80 -147.3 141.94 26.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.909 0.484 . . . . 93.55 111.833 -174.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -156.74 141.64 17.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.735 1.214 . . . . 99.99 109.65 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.458 ' HA ' ' HD2' ' B' ' 84' ' ' PHE . 75.9 mt -80.24 115.54 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.051 0.94 . . . . 40.88 108.902 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.22 -50.49 5.96 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 109.489 -0.56 . . . . 85.25 109.489 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -155.21 144.43 21.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.832 0.453 . . . . 95.33 111.587 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -113.02 133.18 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 106.435 -1.691 . . . . 13.6 106.435 168.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -167.52 147.63 5.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.079 0.399 . . . . 23.1 111.907 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.53 ' HB ' ' HA2' ' A' ' 121' ' ' GLY . 36.1 m -82.32 130.19 35.04 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.327 0.651 . . . . 6.51 109.976 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -100.47 -36.02 9.35 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.799 0.839 . . . . 19.94 111.412 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' PHE . 20.2 t0 -144.85 135.98 25.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.409 -0.589 . . . . 37.8 109.409 -169.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.43 HD12 ' SG ' ' B' ' 113' ' ' CYS . 35.4 mm -138.5 142.74 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.586 1.154 . . . . 5.14 108.809 174.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -144.11 138.34 28.16 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.506 -0.924 . . . . 19.25 108.506 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 20' ' ' ASP . 85.8 t80 -144.43 107.7 4.57 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.162 -1.422 . . . . 9.84 107.162 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -121.15 112.18 18.35 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.985 -1.117 . . . . 50.65 107.985 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' B' ' 28' ' ' ALA . . . -117.2 89.55 31.09 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.016 0.926 . . . . 18.09 109.117 -178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.94 -21.72 63.62 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.871 2.381 . . . . 31.77 111.966 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' B' ' 30' ' ' HIS . 42.0 m-80 -125.27 31.82 5.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.112 . . . . 49.39 110.31 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' B' ' 25' ' ' ALA . . . -46.64 -50.52 41.86 Favored Pre-proline 0 CA--C 1.568 1.673 0 C-N-CA 124.116 0.967 . . . . 51.5 111.891 170.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.494 ' HD3' ' HE3' ' A' ' 19' ' ' LYS . 44.5 Cg_endo -74.71 -29.63 8.55 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 122.147 1.898 . . . . 70.98 113.44 173.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ASN . 17.0 m170 -86.49 2.46 47.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.644 0.777 . . . . 99.99 112.231 -167.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 HD11 ' B' ' 68' ' ' LEU . 7.5 p -65.28 -27.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.305 0.642 . . . . 99.99 111.332 170.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -62.75 -24.75 67.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.048 0.939 . . . . 99.99 112.865 -171.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 26.2 pt20 -86.65 -30.06 22.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.822 0.449 . . . . 99.99 111.304 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 94.8 mttt -106.73 79.39 1.34 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.073 0.949 . . . . 98.87 109.566 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.7 91.23 7.44 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.575 -0.739 . . . . 99.99 111.05 -174.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -161.3 167.41 25.93 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.34 1.056 . . . . 99.99 109.119 166.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -72.47 111.37 10.76 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.34 153.21 41.75 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.212 2.608 . . . . 63.52 114.302 -168.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' E' ' 86' ' ' TYR . 36.6 mt-10 -75.72 126.03 30.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 114.342 -1.299 . . . . 99.99 109.157 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -106.76 154.16 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.66 0.784 . . . . 72.1 112.372 -161.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.598 ' HB3' ' HB ' ' B' ' 65' ' ' THR . 40.3 tttm -151.72 145.77 25.26 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.524 1.13 . . . . 99.99 110.381 -173.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.531 HD11 ' N ' ' E' ' 7' ' ' ALA . 36.3 mt -107.12 168.47 9.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.507 1.123 . . . . 96.73 112.024 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.33 127.31 2.85 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.387 1.875 . . . . 92.63 106.634 155.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' E' ' 8' ' ' LEU . 7.3 mp -109.81 133.13 53.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.92 -0.77 . . . . 67.27 108.92 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 23.5 t70 -124.04 154.92 39.2 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.548 1.139 . . . . 58.71 109.111 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.597 HG21 ' HA ' ' E' ' 15' ' ' PHE . 40.2 p -125.37 115.89 21.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.705 0.802 . . . . 66.97 110.511 -173.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.53 134.24 31.94 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.894 0.878 . . . . 35.64 109.399 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -143.18 -177.21 5.25 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.967 0.507 . . . . 74.75 111.158 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.97 156.42 17.4 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.214 1.006 . . . . 43.74 110.493 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -107.14 125.74 51.48 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.87 -0.789 . . . . 89.61 108.87 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -97.17 -31.35 12.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.496 0.718 . . . . 71.01 110.709 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 -169.89 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.227 1.011 . . . . 85.91 110.943 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.12 114.44 4.18 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.817 -1.083 . . . . 99.99 108.939 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.462 ' HA ' ' CE1' ' B' ' 56' ' ' TYR 0.289 2.7 p30 51.31 9.31 0.06 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.608 1.963 . . . . 99.99 115.919 -169.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -102.4 104.7 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 106.619 -1.623 . . . . 76.71 106.619 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 54' ' ' ASP . 85.6 m-85 -114.51 175.15 5.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.801 -1.09 . . . . 98.07 109.363 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 7.8 tm-20 -145.38 104.23 3.9 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.839 -1.541 . . . . 46.84 106.839 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -116.99 130.95 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 109.289 -0.634 . . . . 57.34 109.289 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -121.49 152.32 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.894 0.878 . . . . 21.57 110.011 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.542 HD21 HD23 ' B' ' 44' ' ' LEU . 4.8 tt -122.06 119.41 31.32 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 106.802 -1.555 . . . . 62.33 106.802 166.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 30.4 ttt85 -91.81 121.09 33.11 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.785 0.834 . . . . 95.32 109.722 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.98 107.46 22.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 124.912 1.285 . . . . 14.84 108.888 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -101.32 122.18 43.24 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.797 -0.816 . . . . 28.15 108.797 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 83.1 t -117.8 129.66 73.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 124.236 1.014 . . . . 18.14 108.989 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' B' ' 41' ' ' LYS . 99.6 m -115.13 140.44 49.07 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.148 -1.056 . . . . 24.35 108.148 171.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.25 132.9 30.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.865 -1.161 . . . . 26.44 107.865 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -146.48 137.44 24.22 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.514 0.509 . . . . 56.64 110.993 -172.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 11.3 mt -95.32 99.08 11.06 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 107.891 -1.151 . . . . 62.67 107.891 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.54 -127.39 19.98 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.826 -0.51 . . . . 81.37 111.826 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.27 46.82 0.91 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 107.725 -1.213 . . . . 99.99 107.725 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -156.09 136.65 13.24 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.358 -0.837 . . . . 99.99 109.02 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -69.84 134.25 48.29 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 123.499 0.72 . . . . 33.32 110.191 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.71 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -89.38 -60.29 1.99 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.925 -1.139 . . . . 25.99 107.925 174.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 25' ' ' ALA . 54.1 p90 -156.33 163.9 38.94 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.231 -1.349 . . . . 18.76 110.742 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.83 112.86 12.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.025 1.33 . . . . 16.93 107.567 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 53.7 t -118.9 123.2 44.08 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.502 -0.555 . . . . 12.76 109.502 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -134.44 125.03 26.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.293 0.637 . . . . 30.38 109.317 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.11 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.569 0.747 . . . . 8.91 110.233 -175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -124.47 108.9 12.61 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.198 -1.038 . . . . 33.15 108.198 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -90.17 100.67 13.45 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 107.152 -1.425 . . . . 11.26 107.152 168.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.7 161.62 32.33 Favored Glycine 0 C--O 1.245 0.799 0 CA-C-N 115.467 -0.788 . . . . 11.78 111.233 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.71 126.66 2.04 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.309 -0.716 . . . . 23.01 111.309 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 63.7 mt -83.89 122.01 37.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 N-CA-C 106.251 -1.759 . . . . 39.34 106.251 168.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.458 ' HD2' ' HA ' ' B' ' 13' ' ' ILE . 43.3 m-85 -139.93 140.93 36.5 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.873 -0.788 . . . . 63.88 108.873 178.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 20.4 p -86.89 112.54 21.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.172 -1.788 . . . . 82.93 106.172 167.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.672 ' HB ' HG11 ' E' ' 18' ' ' VAL . 66.6 mt -142.38 103.57 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.94 -0.763 . . . . 98.2 108.94 -172.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.04 174.38 15.31 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.051 0.387 . . . . 99.99 110.94 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.38 -70.86 0.2 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.668 -0.573 . . . . 99.99 111.668 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -74.24 168.93 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.773 0.429 . . . . 99.99 112.091 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.03 178.92 8.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.283 0.633 . . . . 99.99 110.962 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.55 -130.36 34.25 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 115.657 -0.702 . . . . 99.99 113.905 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.2 m -66.47 -33.92 76.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.121 0.968 . . . . 99.99 110.766 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -44.32 94.67 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 99.99 110.591 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' E' ' 21' ' ' ALA . 57.4 ttm -66.28 -43.87 85.15 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.522 0.514 . . . . 99.99 110.862 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.92 92.68 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.483 0.713 . . . . 99.99 111.709 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' B' ' 134' ' ' ASP . 52.3 t-80 -76.24 -41.86 47.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.343 0.657 . . . . 99.99 111.256 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 99.1 m -65.14 -44.29 89.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.289 0.636 . . . . 99.99 111.415 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' E' ' 17' ' ' PRO . 69.7 mt -78.73 -32.24 46.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.308 0.643 . . . . 71.23 112.487 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.9 -41.14 19.5 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 121.431 -0.414 . . . . 59.87 113.554 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' B' ' 134' ' ' ASP . . . -135.38 -37.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.628 0.714 . . . . 71.19 112.676 -166.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.7 t80 -62.97 -58.53 7.04 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.606 0.762 . . . . 99.99 111.763 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' B' ' 103' ' ' PRO . 61.9 m -71.64 -47.33 12.58 Favored Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 119.01 -0.519 . . . . 50.37 111.899 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 102' ' ' CYS . 31.5 Cg_exo -64.77 -3.17 6.36 Favored 'Trans proline' 0 C--N 1.398 3.172 0 C-N-CA 122.657 2.238 . . . . 36.29 115.625 175.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.36 -46.69 83.08 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.199 0.6 . . . . 87.59 110.958 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.88 -29.23 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.434 -0.803 . . . . 37.19 110.033 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.56 -22.74 62.55 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.984 0.514 . . . . 13.07 111.498 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.62 -56.95 24.1 Favored Pre-proline 0 CA--C 1.561 1.387 0 CA-C-O 117.947 -1.025 . . . . 99.99 113.308 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.98 -25.57 77.92 Favored 'Trans proline' 0 C--N 1.393 2.878 0 C-N-CA 121.995 1.797 . . . . 10.37 113.097 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.81 -43.97 28.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.332 0.653 . . . . 12.29 111.366 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.69 94.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.028 0.531 . . . . 8.75 109.925 171.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 6.5 ttp180 -59.37 -60.32 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.694 1.246 . . . . 59.14 111.338 -175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.34 -19.57 61.62 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 124.202 0.939 . . . . 51.9 110.649 -172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 120' ' ' ARG . 5.7 t -68.19 -49.29 61.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.843 -0.799 . . . . 13.3 108.843 172.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.521 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 62.1 mt -55.71 -44.77 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.369 1.067 . . . . 9.86 111.024 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -66.33 -32.66 74.19 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.297 0.639 . . . . 13.13 110.903 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.9 -32.84 69.91 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 123.281 0.632 . . . . 8.02 110.302 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 36.9 mmm -66.32 -43.77 85.26 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.581 -0.526 . . . . 26.78 109.581 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 126' ' ' LEU . 48.9 t -62.43 -41.02 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 114.884 -1.053 . . . . 13.3 110.416 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.1 t -66.05 -36.47 83.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.301 1.04 . . . . 29.79 111.769 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -76.37 -34.62 58.9 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.282 0.633 . . . . 11.55 110.982 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.03 -4.34 77.54 Favored Glycine 0 C--N 1.352 1.454 0 O-C-N 123.597 0.56 . . . . 16.97 112.498 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 30.9 p 63.23 27.81 15.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.623 1.969 . . . . 23.15 112.566 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -81.34 162.81 57.51 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 114.815 -1.084 . . . . 23.84 109.102 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.79 131.09 43.45 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.463 2.108 . . . . 29.89 111.293 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -45.61 136.74 5.65 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 124.437 1.086 . . . . 99.99 112.541 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' B' ' 118' ' ' VAL . 42.2 tp -138.29 114.23 9.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.093 -0.706 . . . . 72.13 109.093 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.7 138.91 54.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.893 0.877 . . . . 73.04 110.27 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.591 ' HB2' ' HG3' ' B' ' 111' ' ' ARG . 8.4 mp -62.21 128.76 37.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.246 0.619 . . . . 90.81 109.787 173.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.85 146.11 67.73 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 123.655 0.782 . . . . 43.15 110.417 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.54 113.29 1.74 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.526 2.151 . . . . 61.27 112.212 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' E' ' 4' ' ' SER . 96.1 t -127.9 140.76 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 99.57 110.852 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -111.82 97.83 6.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.034 0.934 . . . . 99.99 109.646 166.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' E' ' 8' ' ' LEU . 24.9 p90 -89.12 -5.13 58.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.932 0.493 . . . . 99.99 110.662 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' B' ' 100' ' ' ALA . 7.7 p-10 -60.46 -41.01 93.23 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.387 0.275 . . . . 99.99 110.436 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.7 70.33 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.474 1.109 . . . . 99.99 111.831 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.77 -55.74 30.4 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.843 0.857 . . . . 99.99 110.145 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -75.58 -32.29 60.31 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.699 -0.682 . . . . 99.99 111.16 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 58.4 ttp -63.78 -38.19 90.17 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.342 0.657 . . . . 99.99 111.554 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -76.03 -37.26 58.58 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.08 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' E' ' 28' ' ' VAL . 8.1 m-30 -67.72 -33.19 74.39 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.484 -1.234 . . . . 99.99 111.26 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -78.04 -7.65 57.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.746 0.419 . . . . 99.99 111.762 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -97.41 74.77 2.48 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.139 0.971 . . . . 99.99 109.221 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -115.26 4.41 14.47 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 113.831 -1.532 . . . . 99.99 108.458 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.54 -35.38 80.69 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.987 0.915 . . . . 99.99 111.798 -170.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.61 93.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.541 1.136 . . . . 99.99 111.597 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 147.38 -20.6 1.53 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 111.071 -0.812 . . . . 99.99 111.071 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.02 -89.64 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 55.88 29.6 55.37 Favored Glycine 0 C--N 1.362 2.013 0 N-CA-C 115.124 0.81 . . . . 99.99 115.124 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 5.7 t -76.32 75.98 3.1 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.021 0.915 . . . . 99.99 109.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 55.48 53.43 9.79 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.074 -1.421 . . . . 99.99 110.138 -169.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.4 45.51 2.76 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.255 -1.339 . . . . 99.99 109.762 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 21.0 t60 77.68 -45.96 0.45 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.49 1.516 . . . . 99.99 112.471 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -60.42 -29.89 69.27 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.658 1.183 . . . . 99.99 113.195 -171.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -121.37 -53.77 2.0 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.904 0.882 . . . . 99.99 109.229 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 C-N-CA 124.099 0.959 . . . . 99.99 108.76 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.318 0.104 . . . . 99.99 110.81 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.453 ' H ' ' HG3' ' C' ' 151' ' ' GLU . 21.5 t -160.16 161.07 33.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.838 0.855 . . . . 99.99 109.203 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' C' ' 8' ' ' GLU . 19.4 mm-40 64.59 -71.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.753 1.621 . . . . 99.99 112.923 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' C' ' 155' ' ' ALA . 8.7 pt20 -55.4 105.89 0.2 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.093 0.957 . . . . 99.99 112.486 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -142.71 -59.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.457 1.103 . . . . 99.99 108.855 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -164.0 -46.14 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.034 0.534 . . . . 99.99 110.327 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -107.13 -20.7 13.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.848 0.859 . . . . 99.99 110.832 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' C' ' 3' ' ' GLU . 1.3 mp0 63.51 -179.56 0.15 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.831 1.252 . . . . 99.99 110.757 -172.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.592 ' HA ' ' HA2' ' C' ' 88' ' ' GLY . 44.9 ttp 64.16 113.53 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.916 0.886 . . . . 99.99 112.145 174.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.606 HG21 ' HG3' ' E' ' 273' ' ' GLN . 89.2 m -86.21 91.82 8.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.593 -0.521 . . . . 99.99 109.593 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.424 ' HE2' ' HB3' ' C' ' 97' ' ' CYS . 9.1 t80 -87.77 134.25 33.71 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.602 0.761 . . . . 99.99 109.006 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.788 ' HG3' ' HA ' ' E' ' 136' ' ' LYS . 44.4 tt0 -145.19 126.03 14.39 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.398 1.079 . . . . 99.99 108.591 -177.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.03 126.37 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.314 -0.995 . . . . 56.3 108.314 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.702 HE22 ' H ' ' C' ' 85' ' ' SER . 0.9 OUTLIER -90.23 -52.46 4.93 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.846 -0.428 . . . . 93.16 109.846 173.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' E' ' 132' ' ' SER . 13.0 ptp180 170.77 166.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.309 1.044 . . . . 99.99 110.779 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.413 HD12 HD22 ' A' ' 127' ' ' ASN . 60.8 mt -125.31 141.14 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.025 1.33 . . . . 11.74 107.438 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.554 ' HE1' HG12 ' C' ' 83' ' ' ILE . 29.6 p90 -169.49 154.29 5.57 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.344 0.402 . . . . 19.28 110.718 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -79.12 124.33 28.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.467 0.707 . . . . 6.91 110.452 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -77.51 -49.72 14.12 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 108.234 -1.024 . . . . 21.95 108.234 170.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' C' ' 79' ' ' GLN . 30.5 t70 -134.77 140.67 46.08 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.392 -1.276 . . . . 50.62 109.769 -170.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 96.2 mt -140.05 149.14 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.69 1.596 . . . . 5.12 107.291 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -158.38 150.3 21.51 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.591 0.756 . . . . 9.28 109.95 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' D' ' 20' ' ' ASP . 89.9 t80 -156.73 126.03 6.09 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 107.495 -1.298 . . . . 8.82 107.495 171.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.41 122.94 24.46 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.225 0.61 . . . . 30.58 110.371 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.23 88.25 51.48 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.03 1.332 . . . . 12.04 108.323 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.25 -27.75 40.77 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.133 1.889 . . . . 30.41 110.397 173.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' C' ' 30' ' ' HIS . 93.6 m-20 -99.57 32.6 2.76 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.193 -1.367 . . . . 61.38 110.541 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.44 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.19 -45.44 99.73 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-O 118.403 -0.808 . . . . 26.66 112.601 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.86 -34.87 0.19 Allowed 'Trans proline' 0 C--N 1.39 2.73 0 C-N-CA 121.868 1.712 . . . . 35.22 112.619 168.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 27' ' ' ASN . 60.6 t60 -60.22 -18.84 51.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.481 1.513 . . . . 48.75 112.49 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -52.6 -23.39 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.227 1.011 . . . . 55.24 112.948 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.47 ' HE1' ' HG2' ' E' ' 304' ' ' PRO . 20.7 m-85 -66.73 -23.27 66.08 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.324 0.649 . . . . 99.99 112.264 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -114.05 26.52 10.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.889 0.876 . . . . 97.11 110.294 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 73' ' ' ALA . 0.0 OUTLIER -93.55 139.66 30.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.2 1.0 . . . . 88.6 110.082 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.09 124.11 24.28 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 107.574 -1.269 . . . . 99.99 107.574 166.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' E' ' 297' ' ' TYR . 57.9 m95 -84.51 63.79 8.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 122.892 0.477 . . . . 99.99 111.294 -171.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -164.27 77.64 1.53 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 123.508 0.723 . . . . 99.99 109.213 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.08 153.49 41.45 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.487 2.125 . . . . 68.93 110.736 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.12 99.79 11.29 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.95 -1.5 . . . . 99.99 106.95 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -68.65 116.91 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 114.586 -1.188 . . . . 87.15 107.927 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -126.05 109.14 12.07 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 107.455 -1.313 . . . . 99.99 107.455 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.589 HD21 HG22 ' C' ' 64' ' ' VAL . 11.3 mt -91.14 161.77 14.95 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.575 0.75 . . . . 94.05 110.874 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -152.26 148.75 27.93 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.978 0.911 . . . . 99.99 109.713 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.482 HD11 HD23 ' C' ' 60' ' ' LEU . 3.1 tm? -132.68 117.51 17.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.001 0.92 . . . . 71.87 108.674 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 20.2 t70 -112.33 160.19 17.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.505 1.522 . . . . 92.17 107.821 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -136.98 137.72 39.76 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.884 0.474 . . . . 62.96 111.392 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -131.23 152.52 50.42 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.224 1.409 . . . . 35.73 109.454 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.3 p -159.85 143.14 14.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.397 0.679 . . . . 56.22 110.385 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 78.6 p -150.72 166.93 28.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.632 0.773 . . . . 43.42 109.995 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -98.5 131.46 44.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 170.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.563 HD11 HD12 ' C' ' 83' ' ' ILE . 50.3 mt -102.42 -44.44 5.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.606 0.762 . . . . 61.44 110.127 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.64 -169.89 2.23 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.115 -0.948 . . . . 94.06 110.431 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.69 121.79 17.21 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.433 -1.258 . . . . 99.99 109.607 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 67.08 0.78 2.12 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.684 1.194 . . . . 99.99 112.863 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 87.6 t -119.89 114.53 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.474 -0.565 . . . . 81.86 109.474 -171.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.69 167.69 14.78 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.873 1.269 . . . . 99.99 108.053 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' C' ' 59' ' ' VAL . 33.4 tt0 -115.15 115.81 27.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.422 1.089 . . . . 35.21 109.608 -171.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -98.97 118.87 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.808 -1.182 . . . . 29.6 107.808 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' C' ' 57' ' ' GLU . 87.0 t -133.14 137.2 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.434 0.694 . . . . 20.9 109.538 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' C' ' 44' ' ' LEU . 7.2 mp -129.95 121.8 27.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.994 0.918 . . . . 69.19 109.036 173.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' C' ' 79' ' ' GLN . 57.8 ttm-85 -87.91 115.5 25.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.444 0.698 . . . . 99.99 110.068 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.91 136.62 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.351 -0.981 . . . . 14.53 108.351 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 27.8 m -131.58 120.15 22.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.089 0.471 . . . . 20.42 109.816 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.6 HG21 HG21 ' C' ' 114' ' ' ILE . 31.5 t -102.85 114.09 41.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 124.879 1.272 . . . . 17.7 108.259 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -102.72 141.54 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.015 -0.735 . . . . 29.53 109.015 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.98 97.23 3.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 107.458 -1.312 . . . . 32.22 107.458 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . 0.441 ' HB2' HG23 ' C' ' 72' ' ' THR . 46.6 t -149.64 144.2 26.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.146 0.578 . . . . 59.66 109.581 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 pp -111.65 21.05 16.52 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.378 0.671 . . . . 97.29 110.617 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.6 -119.11 1.11 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 115.795 -0.639 . . . . 76.35 111.789 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.19 -26.69 22.27 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.991 -0.744 . . . . 99.99 108.991 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.56 92.19 4.03 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.687 1.195 . . . . 77.02 109.407 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . 0.441 HG23 ' HB2' ' C' ' 67' ' ' SER . 64.5 m -88.59 132.2 34.64 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.499 0.72 . . . . 37.0 110.977 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . . . -70.38 -62.05 1.54 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.409 0.684 . . . . 34.06 110.058 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -170.16 174.88 5.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.112 -0.949 . . . . 39.96 110.049 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -136.02 133.62 37.66 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.581 -1.637 . . . . 16.54 106.581 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' C' ' 114' ' ' ILE . 39.4 t -135.45 125.52 26.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.761 -1.2 . . . . 10.97 107.761 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.59 138.31 34.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.743 -0.836 . . . . 36.61 108.743 -168.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' C' ' 110' ' ' ALA . 15.5 t -151.06 114.29 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.324 1.05 . . . . 9.25 109.743 -173.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' C' ' 20' ' ' ASP . 5.8 tt0 -89.94 102.35 15.06 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.45 -0.945 . . . . 25.23 108.45 171.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 9.2 tp-100 -89.43 121.09 31.34 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.32 0.648 . . . . 10.64 110.721 -175.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -96.1 166.08 24.43 Favored Glycine 0 C--N 1.338 0.694 0 O-C-N 123.568 0.543 . . . . 10.6 112.372 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -171.1 128.06 1.55 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 111.328 -0.709 . . . . 19.17 111.328 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.563 HD12 HD11 ' C' ' 51' ' ' LEU . 16.2 mm -107.59 126.97 63.88 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 C-N-CA 123.396 0.678 . . . . 30.38 109.358 -176.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -145.59 130.23 17.99 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.526 -0.916 . . . . 49.62 108.526 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.702 ' H ' HE22 ' C' ' 14' ' ' GLN . 24.2 m -92.12 117.06 29.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.661 0.784 . . . . 92.15 110.481 174.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.726 ' HB ' HD13 ' E' ' 278' ' ' LEU . 5.1 mp -127.51 101.36 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 109.44 -0.578 . . . . 99.99 109.44 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.444 ' O ' HG13 ' C' ' 89' ' ' ILE . . . -90.12 33.83 0.87 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.904 0.481 . . . . 99.99 111.246 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.592 ' HA2' ' HA ' ' C' ' 9' ' ' MET . . . -61.32 -37.02 93.36 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 114.517 0.567 . . . . 99.99 114.517 -172.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.456 HG12 ' HG ' ' E' ' 277' ' ' LEU . 65.7 mt 73.14 -13.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 C-N-CA 125.712 1.605 . . . . 99.99 112.475 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' C' ' 93' ' ' GLN . 9.5 mm-40 -84.45 52.54 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.483 1.113 . . . . 99.99 113.633 -168.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.09 -117.34 4.77 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 114.693 0.637 . . . . 99.99 114.693 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.623 ' HA ' ' HB3' ' C' ' 95' ' ' ALA . 14.1 t -82.82 -17.28 44.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.252 0.621 . . . . 99.99 111.434 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 90' ' ' GLU . 7.5 tp60 -66.86 -49.01 67.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.473 0.709 . . . . 99.99 110.533 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.08 -31.66 71.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.406 -0.361 . . . . 99.99 110.227 172.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 92' ' ' THR . . . -70.59 -20.97 62.72 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.912 0.885 . . . . 99.99 112.149 -179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . 0.4 ' HA ' ' CE2' ' C' ' 137' ' ' PHE . 19.2 t-80 -56.47 -44.81 80.93 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.196 0.522 . . . . 99.99 110.197 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 76.1 m -72.53 -38.67 67.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.953 -1.021 . . . . 99.99 111.286 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.58 -43.66 76.06 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.197 0.999 . . . . 99.99 110.664 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.99 -13.04 35.05 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-O 118.968 -0.907 . . . . 68.51 114.943 -157.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -146.79 -39.42 0.21 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.176 0.988 . . . . 56.52 112.428 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' C' ' 97' ' ' CYS . 40.4 t80 -67.51 -55.42 13.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.933 0.893 . . . . 99.99 111.734 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.23 -45.56 71.43 Favored Pre-proline 0 CA--C 1.564 1.508 0 CA-C-O 118.747 -0.644 . . . . 56.59 111.519 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.405 ' HB3' HD21 ' C' ' 60' ' ' LEU . 19.5 Cg_exo -44.99 -42.78 15.76 Favored 'Trans proline' 0 C--N 1.389 2.698 0 C-N-CA 123.387 2.725 . . . . 39.21 115.885 168.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.29 -36.12 83.09 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.935 0.494 . . . . 71.72 111.16 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 130' ' ' PRO . 29.9 mm -69.57 -30.17 44.2 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.704 0.802 . . . . 8.71 111.466 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' C' ' 82' ' ' GLY . 74.5 mt -71.13 -34.04 70.66 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 121.379 0.609 . . . . 37.06 110.476 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -53.04 -48.29 92.49 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 125.494 1.517 . . . . 16.74 114.595 -171.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.64 -37.36 74.64 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.676 2.251 . . . . 9.85 114.134 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -71.56 -38.26 70.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.049 -0.523 . . . . 5.88 111.109 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -68.22 -44.4 75.83 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.221 0.326 . . . . 7.64 110.422 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' C' ' 128' ' ' LEU . 60.3 ttt-85 -50.07 -51.58 41.49 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.609 1.564 . . . . 20.64 111.334 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.96 -33.43 59.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.263 -0.881 . . . . 38.86 111.125 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.56 -30.13 70.36 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.131 0.491 . . . . 13.9 109.977 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.6 HG21 HG21 ' C' ' 64' ' ' VAL . 73.7 mt -71.92 -45.28 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.757 1.223 . . . . 8.58 110.199 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 25.8 m -67.09 -28.92 68.58 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.446 0.641 . . . . 8.54 110.893 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 42.4 t -70.07 -36.84 75.25 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.932 0.893 . . . . 6.56 109.217 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.411 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -74.28 -34.34 63.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.292 1.037 . . . . 5.22 112.16 -177.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.497 HG21 ' H ' ' C' ' 126' ' ' LEU . 16.0 m -74.55 -25.69 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 110.323 -0.251 . . . . 28.53 110.323 173.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . 0.414 ' HB2' HE22 ' C' ' 125' ' ' GLN . 32.2 t -72.4 -37.64 68.63 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.357 0.663 . . . . 17.6 110.328 173.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -74.16 -29.03 61.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 7.72 110.639 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.95 -2.19 88.52 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 119.625 -0.542 . . . . 10.8 112.835 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 68.2 p 57.29 38.4 28.59 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 126.047 1.739 . . . . 15.17 112.537 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.477 ' HA ' HD13 ' E' ' 301' ' ' ILE . 32.4 m-85 -105.59 168.68 7.96 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.803 1.641 . . . . 24.81 110.091 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.71 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 85.0 Cg_exo -52.17 131.07 37.97 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.418 2.746 . . . . 29.42 113.3 173.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.414 HE22 ' HB2' ' C' ' 119' ' ' SER . 15.6 mm100 -60.77 112.62 2.1 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.435 1.085 . . . . 72.03 111.213 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.497 ' H ' HG21 ' C' ' 118' ' ' VAL . 8.1 tt -106.32 107.41 18.4 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.665 -1.235 . . . . 59.85 107.665 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -91.22 131.26 36.86 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.33 -0.989 . . . . 41.85 108.33 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.589 HD21 HD21 ' C' ' 42' ' ' LEU . 0.2 OUTLIER -66.29 139.24 58.05 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 109.577 -0.527 . . . . 38.57 109.577 178.138 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.61 143.95 95.69 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 123.933 0.77 . . . . 24.62 111.469 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 13' ' ' ILE . 50.8 Cg_endo -64.88 114.06 2.62 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.976 2.451 . . . . 24.48 112.237 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.96 117.96 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.642 0.777 . . . . 68.05 110.342 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -113.94 103.9 11.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.035 0.534 . . . . 99.99 109.725 167.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -79.38 -9.09 59.52 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.353 1.061 . . . . 99.99 111.306 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.54 -22.87 66.75 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.303 0.641 . . . . 99.99 111.022 172.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.62 73.41 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.125 0.57 . . . . 99.99 111.216 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' E' ' 287' ' ' PRO . 5.5 tt -74.84 -39.67 61.47 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.562 0.745 . . . . 99.99 110.869 175.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' C' ' 96' ' ' HIS . 1.8 t80 -80.64 -18.81 46.92 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.304 0.242 . . . . 99.99 111.111 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -43.66 30.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 107.945 -1.132 . . . . 99.99 107.945 170.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 143' ' ' GLN . 1.6 t30 -54.53 -36.96 64.84 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 114.2 -1.364 . . . . 99.99 111.569 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -63.57 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.804 0.841 . . . . 99.99 109.111 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 20.0 tp 65.79 176.35 0.22 Allowed 'General case' 0 C--N 1.372 1.57 0 C-N-CA 124.134 0.974 . . . . 99.99 111.018 173.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -158.48 -73.56 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.282 -0.636 . . . . 99.99 109.282 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' C' ' 147' ' ' GLU . 7.1 tp-100 -83.2 149.81 26.6 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.76 -0.655 . . . . 99.99 109.822 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.79 -62.42 1.42 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.16 -0.681 . . . . 99.99 109.16 171.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 166.29 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 126.296 1.839 . . . . 99.99 107.559 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.37 94.9 0.26 Allowed Glycine 0 C--N 1.344 1.019 0 N-CA-C 110.578 -1.009 . . . . 99.99 110.578 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . 0.439 ' HG2' HE21 ' C' ' 143' ' ' GLN . 0.7 OUTLIER -66.19 -19.59 65.88 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.071 0.948 . . . . 99.99 111.953 -174.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.29 61.53 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 111.997 -0.441 . . . . 99.99 111.997 -173.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 33.5 p -146.53 -20.99 0.43 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.705 1.202 . . . . 99.99 111.107 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -75.62 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.846 0.858 . . . . 99.99 111.991 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' C' ' 2' ' ' SER . 0.8 OUTLIER -118.68 -54.58 2.25 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -146.15 -80.44 0.16 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.568 -1.271 . . . . 99.99 107.568 167.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.42 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.806 1.242 . . . . 99.99 107.744 177.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -149.09 44.51 0.98 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.902 -1.044 . . . . 99.99 109.85 -174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.439 ' HA ' ' NE2' ' C' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 125.008 1.323 . . . . 99.99 110.586 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.526 -0.546 . . . . 99.99 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -82.03 78.25 8.75 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.758 -0.83 . . . . 99.99 108.758 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.85 -70.24 0.28 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 115.088 -0.96 . . . . 99.99 110.748 -172.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -95.55 -38.63 10.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.606 -0.725 . . . . 99.99 110.686 -176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -69.63 86.71 0.48 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.996 0.919 . . . . 99.99 111.165 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.22 -58.44 2.15 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.391 1.076 . . . . 99.99 110.199 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.525 HG22 ' H ' ' D' ' 8' ' ' GLU . 6.0 m -127.93 175.56 8.27 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.099 0.96 . . . . 99.99 109.804 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.525 ' H ' HG22 ' D' ' 7' ' ' THR . 2.8 mp0 73.59 140.31 0.06 Allowed 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.492 1.517 . . . . 99.99 109.812 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' D' ' 87' ' ' ALA . 24.0 ttt -34.34 125.29 0.5 Allowed 'General case' 0 C--N 1.365 1.264 0 N-CA-C 114.049 1.129 . . . . 99.99 114.049 -175.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' D' ' 86' ' ' ILE . 64.5 p -103.62 135.93 44.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 107.544 -1.28 . . . . 99.99 107.544 173.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.463 ' HE2' ' SG ' ' D' ' 102' ' ' CYS . 50.4 t80 -148.6 96.58 2.61 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.738 -1.208 . . . . 76.43 107.738 174.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -138.75 137.1 36.42 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.657 0.783 . . . . 99.99 108.945 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.629 HD13 HG21 ' D' ' 105' ' ' ILE . 12.6 mt -89.74 110.93 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 115.33 -0.85 . . . . 41.34 108.937 -174.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.19 -34.5 28.97 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.815 0.846 . . . . 79.46 111.319 -170.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -169.26 140.89 2.43 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.828 0.705 . . . . 99.99 109.421 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.74 139.08 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.587 -1.264 . . . . 53.22 107.587 176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -160.2 171.24 19.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.266 1.032 . . . . 19.87 111.696 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 81.7 p -106.49 118.83 37.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.441 -1.709 . . . . 8.43 108.847 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 35.2 mtpt -88.19 -16.59 32.92 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.987 -0.375 . . . . 36.9 109.987 172.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.8 t70 -156.02 138.65 15.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.514 0.726 . . . . 36.68 109.686 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.69 HG23 HG22 ' D' ' 78' ' ' VAL . 43.3 mt -142.46 145.61 23.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.484 -1.673 . . . . 4.02 106.484 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -157.12 147.07 20.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.753 0.821 . . . . 7.64 108.924 174.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 85.3 t80 -150.54 116.75 5.66 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 105.87 -1.9 . . . . 5.08 105.87 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 33.9 mt-10 -121.57 110.46 16.04 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.715 0.689 . . . . 28.73 110.195 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.39 85.73 20.64 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.712 0.805 . . . . 7.19 109.03 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.69 -50.37 0.29 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.268 1.979 . . . . 13.41 111.515 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -88.38 28.03 1.16 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.316 1.047 . . . . 11.97 109.917 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.6 -59.95 9.07 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 124.53 1.132 . . . . 12.01 113.917 -166.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 83.1 Cg_endo -73.75 -15.28 24.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 CA-C-N 121.57 1.597 . . . . 20.55 112.718 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -75.85 -47.23 26.4 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.149 1.38 . . . . 22.26 110.656 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' D' ' 68' ' ' LEU . 27.7 m -79.97 -8.17 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.489 -0.778 . . . . 34.6 112.399 -174.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 22.3 m-30 -68.74 -21.49 64.37 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.63 0.372 . . . . 32.96 111.778 172.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -63.32 -33.69 76.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.255 0.622 . . . . 99.99 109.727 170.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.47 91.8 8.65 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.762 1.225 . . . . 31.63 109.242 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.65 83.85 6.74 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.604 0.762 . . . . 99.99 110.262 -173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 47.3 p90 -164.19 167.46 20.05 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.885 0.874 . . . . 49.29 109.674 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.67 120.51 77.9 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -61.5 155.71 51.21 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.774 2.316 . . . . 31.29 113.35 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -70.76 112.34 6.9 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 106.916 -1.513 . . . . 99.99 106.916 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 64' ' ' VAL . 77.7 t -109.02 120.49 60.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 124.106 0.963 . . . . 52.79 109.841 -174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -93.47 139.46 30.69 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 107.894 -1.15 . . . . 99.99 107.894 172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.49 HD11 HD22 ' D' ' 128' ' ' LEU . 4.0 mm? -96.08 113.66 25.3 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.932 -1.136 . . . . 74.77 107.932 174.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.667 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 12.6 t70 -108.29 113.47 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 99.99 106.897 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' E' ' 111' ' ' LEU . 4.7 mp -112.87 137.45 51.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.579 -0.526 . . . . 66.01 109.579 -174.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.442 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 32.1 t70 -144.27 149.2 35.91 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.741 0.816 . . . . 79.72 109.012 174.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . 0.63 HG22 HD22 ' D' ' 60' ' ' LEU . 19.9 p -138.95 141.5 38.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.796 0.439 . . . . 77.52 111.808 -172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.8 159.25 13.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.076 1.35 . . . . 38.8 108.421 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -158.4 177.29 11.41 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.094 0.558 . . . . 48.36 109.687 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 58.5 p -164.78 145.73 7.74 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.082 0.553 . . . . 52.73 110.186 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -81.01 122.12 26.9 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.51 -0.922 . . . . 99.71 108.51 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -142.23 20.87 2.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.498 1.119 . . . . 82.32 108.657 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' D' ' 55' ' ' VAL . . . -164.37 148.39 9.54 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 114.626 -1.17 . . . . 96.95 110.331 -166.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.36 120.49 29.79 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.246 0.619 . . . . 99.99 109.788 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.15 24.73 13.13 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.133 0.973 . . . . 99.99 111.255 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.613 HG11 HG23 ' D' ' 83' ' ' ILE . 92.3 t -143.0 138.6 27.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 106.576 -1.639 . . . . 82.8 106.576 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.607 ' HB2' HD22 ' E' ' 100' ' ' LEU . 2.5 t80 -135.14 133.35 39.07 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.21 -1.404 . . . . 99.99 107.21 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -87.06 113.39 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.798 -0.815 . . . . 55.89 108.798 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.52 120.85 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.435 -0.95 . . . . 44.56 108.435 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -109.45 110.87 33.72 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 108.518 -0.919 . . . . 19.48 108.518 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . 0.63 HD22 HG22 ' D' ' 46' ' ' THR . 0.2 OUTLIER -98.85 118.95 36.76 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.725 -1.213 . . . . 52.2 107.725 175.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.442 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 20.6 ttm-85 -88.84 100.49 13.2 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.163 -0.68 . . . . 99.99 109.163 175.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -94.16 116.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.531 -1.213 . . . . 9.25 108.286 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.667 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 25.7 m -128.5 133.08 48.37 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.554 -0.906 . . . . 10.79 108.554 -170.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.622 HG13 HG13 ' D' ' 40' ' ' VAL . 24.6 t -122.29 106.41 17.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 125.325 1.45 . . . . 9.72 109.594 -171.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 18.8 m -97.76 100.04 11.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.831 -0.803 . . . . 19.36 108.831 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.03 146.26 26.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.134 0.574 . . . . 11.33 110.526 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.514 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 26.6 p -152.82 127.25 9.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.054 -0.521 . . . . 29.87 111.65 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' D' ' 31' ' ' VAL . 22.1 mt -99.86 107.02 18.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.644 1.178 . . . . 24.97 109.309 177.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.96 -123.85 7.15 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.457 0.473 . . . . 27.84 112.224 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 4.33 46.69 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.61 0.764 . . . . 76.3 112.095 -177.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -127.51 165.17 20.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.004 0.522 . . . . 81.89 110.566 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 53.2 m -70.45 133.8 47.19 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.635 0.774 . . . . 11.35 110.881 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.514 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -87.86 -70.02 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.328 -1.36 . . . . 10.67 107.328 174.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.65 165.75 28.6 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.658 -1.155 . . . . 7.73 109.649 173.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 71.4 mt -124.38 154.61 40.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.484 -1.673 . . . . 11.05 106.484 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.761 ' SG ' HG12 ' D' ' 114' ' ' ILE . 44.5 t -157.91 148.78 20.98 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.542 -0.54 . . . . 12.97 109.542 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -156.03 119.56 4.35 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.911 -0.774 . . . . 47.96 108.911 174.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . 0.69 HG22 HG23 ' D' ' 21' ' ' ILE . 89.1 t -128.38 116.07 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.575 0.75 . . . . 5.05 109.198 177.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.728 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 49.6 mt-30 -88.54 93.68 9.63 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 123.321 0.649 . . . . 21.68 109.296 170.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -82.73 114.37 21.03 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.493 -1.23 . . . . 8.01 108.717 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.54 145.74 18.61 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 111.396 -0.682 . . . . 11.29 111.396 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.43 148.06 19.52 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 117.234 0.517 . . . . 22.6 113.124 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.613 HG23 HG11 ' D' ' 55' ' ' VAL . 72.4 mt -91.64 107.9 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.636 1.174 . . . . 43.57 108.865 173.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.47 124.31 51.6 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.858 0.863 . . . . 45.01 109.405 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.562 ' HA ' HG22 ' D' ' 55' ' ' VAL . 78.3 p -88.37 110.13 20.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.921 0.488 . . . . 77.58 110.001 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' D' ' 10' ' ' THR . 44.5 pt -127.27 132.52 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.403 0.681 . . . . 88.57 110.138 177.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' D' ' 9' ' ' MET . . . -158.17 157.69 33.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.637 0.775 . . . . 99.99 109.915 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 -3.46 87.02 Favored Glycine 0 N--CA 1.475 1.268 0 O-C-N 123.591 0.557 . . . . 99.99 114.099 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 148.19 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.745 0.818 . . . . 99.99 110.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -133.35 -179.7 5.67 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.257 1.023 . . . . 99.99 110.759 -174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.12 -141.21 24.81 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-N 116.112 -0.495 . . . . 99.99 113.221 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 62.4 p -90.73 -33.1 15.89 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.394 0.678 . . . . 99.99 110.259 175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -26.83 68.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.826 0.851 . . . . 99.99 112.524 -173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . . . . . . . . . 23.2 ptm -54.53 -56.41 19.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.865 0.866 . . . . 99.99 111.949 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 98' ' ' LEU . . . -86.31 -17.13 35.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.781 0.832 . . . . 88.9 111.108 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.05 -36.45 72.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.225 0.61 . . . . 99.99 111.306 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 96.5 m -61.27 -49.69 76.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.067 0.547 . . . . 95.17 111.786 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.673 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 2.6 pp -69.99 -34.07 72.87 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.457 0.473 . . . . 99.99 110.317 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.07 -22.62 57.08 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.345 -0.697 . . . . 66.02 114.211 -171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.19 -49.79 1.2 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.684 0.742 . . . . 54.11 112.854 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.54 -42.94 51.17 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.723 0.409 . . . . 40.76 111.453 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 72.2 m -64.75 -42.65 65.36 Favored Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.965 1.098 . . . . 34.31 113.965 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.29 -25.3 57.17 Favored 'Trans proline' 0 C--N 1.39 2.72 0 CA-C-N 121.565 1.595 . . . . 28.69 112.884 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.95 -29.51 66.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.502 0.721 . . . . 61.29 110.479 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.629 HG21 HD13 ' D' ' 13' ' ' ILE . 14.1 mm -65.34 -44.15 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.027 0.931 . . . . 19.65 109.806 168.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.8 -23.6 61.59 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.991 -1.004 . . . . 13.09 112.549 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . 0.528 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 66.2 t80 -63.32 -47.93 83.52 Favored Pre-proline 0 N--CA 1.485 1.322 0 N-CA-C 113.992 1.108 . . . . 10.47 113.992 -173.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 83.6 Cg_exo -50.86 -31.87 35.27 Favored 'Trans proline' 0 C--N 1.385 2.452 0 C-N-CA 122.129 1.886 . . . . 6.22 114.251 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -85.63 -29.82 23.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.708 0.803 . . . . 10.48 110.974 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.27 91.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 109.66 -0.496 . . . . 4.16 109.66 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -57.17 -53.55 56.8 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.794 1.309 . . . . 10.22 110.063 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -62.12 -44.76 95.93 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.532 1.145 . . . . 32.24 110.101 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.6 -47.03 80.5 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 123.661 0.6 . . . . 3.39 111.302 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.761 HG12 ' SG ' ' D' ' 76' ' ' CYS . 86.9 mt -60.56 -53.68 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.12 -0.945 . . . . 5.37 110.569 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 91.5 m -54.96 -41.72 71.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.446 1.098 . . . . 7.06 111.772 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 46.7 t -66.63 -38.31 86.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.683 -1.144 . . . . 6.71 110.254 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 67.0 mtm -73.31 -32.14 64.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.993 0.517 . . . . 5.08 111.209 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 114' ' ' ILE . 83.7 t -61.36 -45.89 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.808 0.843 . . . . 5.65 109.681 174.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 78.2 p -73.23 -30.16 63.28 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.886 -0.597 . . . . 10.21 110.966 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' D' ' 116' ' ' SER . 92.0 mtt-85 -67.96 -21.15 65.1 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 123.517 0.727 . . . . 6.99 110.747 173.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.14 10.71 63.78 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-O 118.655 -1.081 . . . . 7.43 113.061 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' D' ' 32' ' ' PHE . 63.5 m 67.83 12.91 9.04 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.48 1.112 . . . . 18.26 111.984 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.5 149.71 55.29 Favored Pre-proline 0 C--O 1.245 0.844 0 O-C-N 121.229 -0.92 . . . . 10.7 110.314 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 139.92 92.22 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.663 2.242 . . . . 20.06 111.744 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -51.04 121.37 5.98 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.728 1.211 . . . . 16.85 111.742 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.0 104.07 13.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.736 0.815 . . . . 14.84 109.326 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -100.56 109.27 21.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.191 -1.041 . . . . 76.73 108.191 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.49 HD22 HD11 ' D' ' 42' ' ' LEU . 82.2 mt -68.99 134.71 49.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.353 0.661 . . . . 20.32 110.531 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.0 145.14 93.37 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.769 0.828 . . . . 28.37 111.258 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.5 ' HB2' HD11 ' E' ' 71' ' ' ILE . 31.0 Cg_endo -60.63 113.61 1.77 Allowed 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.784 2.323 . . . . 32.68 112.175 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.4 113.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.628 0.771 . . . . 69.78 110.558 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.16 111.24 21.97 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.462 -1.311 . . . . 99.99 107.462 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' D' ' 107' ' ' PHE . 94.2 m-85 -71.08 -27.49 63.65 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.724 -0.671 . . . . 99.99 111.642 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -56.37 -41.5 76.31 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.896 0.747 . . . . 99.99 110.799 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.68 -34.32 58.32 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.853 0.861 . . . . 99.99 111.978 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' E' ' 120' ' ' TYR . 2.6 mm? -85.24 -45.95 11.5 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.632 0.773 . . . . 99.99 110.656 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' E' ' 111' ' ' LEU . 11.6 m-30 -66.65 -44.66 81.33 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.876 0.871 . . . . 99.99 112.392 -168.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 24.0 ptp -53.81 -32.34 52.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.317 1.047 . . . . 99.99 112.445 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -64.68 -43.57 93.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 99.99 111.09 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.42 ' HB2' ' CE1' ' E' ' 109' ' ' TYR . 38.3 m-85 -91.67 -28.99 17.11 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.382 0.673 . . . . 99.99 111.708 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.1 tp -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.64 1.176 . . . . 99.99 111.7 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.98 0.16 16.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.34 1.056 . . . . 99.99 112.483 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -151.27 47.3 0.83 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.677 0.791 . . . . 99.99 109.743 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . 0.464 ' HB3' ' HA2' ' E' ' 104' ' ' GLY . 15.3 mm-40 -141.59 8.45 1.96 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.265 -0.88 . . . . 99.99 111.782 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.19 -21.86 66.82 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.438 0.637 . . . . 99.99 110.068 167.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.67 -122.59 0.68 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 109.601 -1.4 . . . . 99.99 109.601 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 54.26 80.9 0.11 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.747 1.619 . . . . 99.99 112.071 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 87.12 -54.16 4.51 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.76 -0.654 . . . . 99.99 111.667 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 27.2 m -59.75 -66.29 0.54 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.13 0.972 . . . . 99.99 109.985 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 53.81 -90.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.324 1.049 . . . . 99.99 110.329 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 62.68 10.95 4.49 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 125.754 1.622 . . . . 99.99 112.669 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 58.23 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.369 1.468 . . . . 99.99 110.975 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -156.53 59.22 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.957 0.903 . . . . 99.99 108.672 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 t70 64.19 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.539 1.136 . . . . 99.99 111.996 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.597 1.159 . . . . 99.99 108.138 -176.708 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.492 -0.559 . . . . 99.99 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.632 ' HB2' ' HB3' ' E' ' 82' ' ' ALA . 55.6 pttt -151.92 91.43 1.63 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.004 0.922 . . . . 99.99 109.085 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.42 HE22 ' HG3' ' E' ' 310' ' ' PRO . 1.0 OUTLIER 73.99 154.3 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.869 1.268 . . . . 99.99 110.037 -173.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . 0.425 ' HB3' HG22 ' B' ' 131' ' ' VAL . 41.3 m -60.63 119.64 8.49 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.375 1.07 . . . . 99.99 112.419 -176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -76.74 -159.04 0.11 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.061 0.944 . . . . 99.99 110.459 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 19.2 pt -49.94 98.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.031 0 C-N-CA 124.18 0.992 . . . . 99.99 113.11 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.531 ' N ' HD11 ' B' ' 42' ' ' LEU . . . -177.18 124.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.442 -1.708 . . . . 99.99 108.078 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.673 ' HA ' HD21 ' B' ' 44' ' ' LEU . 8.9 mt 53.6 65.14 1.6 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.853 1.261 . . . . 99.99 113.278 166.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.66 110.84 10.14 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.735 -0.469 . . . . 99.99 109.735 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' E' ' 314' ' ' ARG . 4.1 mm? 67.58 104.5 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 O-C-N 124.793 1.308 . . . . 99.99 112.535 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.96 175.72 4.13 Favored Pre-proline 0 CA--C 1.559 1.314 0 C-N-CA 125.359 1.464 . . . . 99.99 108.816 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -70.66 48.05 0.76 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.918 2.412 . . . . 99.99 113.057 165.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.34 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.886 1.675 . . . . 99.99 111.11 -176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.462 HD11 HG23 ' E' ' 23' ' ' THR . 4.1 mm? -82.0 116.41 21.6 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.051 0.541 . . . . 99.99 110.279 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.597 ' HA ' HG21 ' B' ' 46' ' ' THR . 58.1 t80 -71.73 131.17 42.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.728 -1.212 . . . . 99.99 107.728 167.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' E' ' 17' ' ' PRO . 14.8 t -62.17 115.61 17.11 Favored Pre-proline 0 CA--C 1.562 1.432 0 O-C-N 123.547 0.529 . . . . 99.99 110.67 -176.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' B' ' 98' ' ' LEU . 10.5 Cg_endo -90.85 170.81 3.4 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.271 1.981 . . . . 99.99 113.607 -173.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.672 HG11 ' HB ' ' B' ' 86' ' ' ILE . 15.9 m -65.88 -38.4 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 114.74 -1.118 . . . . 99.99 111.171 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.7 m -133.35 146.31 51.18 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.106 -1.442 . . . . 99.99 107.106 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -55.9 91.22 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.152 0.981 . . . . 99.99 111.784 -175.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' SD ' ' B' ' 94' ' ' MET . . . -91.5 -70.43 0.69 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.115 0.966 . . . . 99.99 110.106 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.428 ' HD2' ' HG ' ' E' ' 14' ' ' LEU . 0.1 OUTLIER 67.73 172.99 0.27 Allowed 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 124.683 1.193 . . . . 99.99 110.99 177.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . 0.462 HG23 HD11 ' E' ' 14' ' ' LEU . 1.5 p -84.13 114.04 51.96 Favored Pre-proline 0 CA--C 1.555 1.17 0 C-N-CA 123.395 0.678 . . . . 99.99 110.245 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' E' ' 23' ' ' THR . 2.8 Cg_exo -75.8 155.97 39.39 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.428 2.752 . . . . 99.99 112.772 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 68.27 -77.28 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.337 1.455 . . . . 99.99 112.262 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 51.4 mtm -140.9 155.12 69.1 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.178 0.991 . . . . 99.99 110.095 -172.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . 0.493 ' HD3' HD21 ' E' ' 321' ' ' LEU . 14.9 Cg_exo -69.85 158.12 57.89 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.402 2.068 . . . . 99.99 111.07 170.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' B' ' 140' ' ' TYR . 4.3 p -75.26 76.5 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.278 0 CA-C-O 122.028 0.918 . . . . 99.99 110.831 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.37 8.16 1.53 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.022 1.329 . . . . 99.99 113.34 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 69.62 -60.22 0.48 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.763 1.625 . . . . 99.99 112.96 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 69.38 20.4 7.33 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.068 1.347 . . . . 99.99 110.86 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.0 -21.18 59.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.1 0.56 . . . . 99.99 111.097 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.81 7.78 9.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.945 0.898 . . . . 99.99 111.905 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.7 26.36 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.613 0.765 . . . . 99.99 111.175 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -117.52 148.97 41.37 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.808 1.243 . . . . 99.99 110.123 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.23 -16.02 77.31 Favored Glycine 0 N--CA 1.472 1.055 0 O-C-N 123.751 0.657 . . . . 99.99 112.203 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.12 90.67 0.47 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 123.655 0.782 . . . . 99.99 110.631 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.55 HG12 HG23 ' E' ' 39' ' ' THR . 10.8 tt -166.77 142.61 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 124.664 1.186 . . . . 99.99 108.86 173.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . 0.55 HG23 HG12 ' E' ' 38' ' ' ILE . 70.4 p 60.86 6.12 1.12 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 126.694 1.998 . . . . 99.99 114.504 174.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' E' ' 41' ' ' PRO . . . -162.87 -60.76 0.01 OUTLIER Pre-proline 0 CA--C 1.563 1.458 0 CA-C-O 118.228 -0.891 . . . . 99.99 110.821 175.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' E' ' 40' ' ' ALA . 1.1 Cg_endo -83.87 116.97 2.23 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.095 1.863 . . . . 99.99 111.016 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -0.12 58.66 Favored Glycine 0 N--CA 1.474 1.215 0 CA-C-O 119.712 -0.493 . . . . 99.99 114.066 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.49 -80.81 1.13 Allowed Glycine 0 C--N 1.35 1.346 0 N-CA-C 111.755 -0.538 . . . . 99.99 111.755 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.84 58.04 4.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.094 1.358 . . . . 99.99 112.327 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -84.64 65.57 9.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.507 -0.923 . . . . 99.99 108.507 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -73.7 103.06 4.14 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.062 -0.972 . . . . 99.99 110.553 -170.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp 66.62 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.463 1.505 . . . . 99.99 110.698 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 9.2 m -129.45 -24.29 2.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.672 0.789 . . . . 99.99 110.542 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 -120.29 15.95 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 118.974 -0.903 . . . . 99.99 110.973 -171.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 61.05 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.794 1.238 . . . . 99.99 113.175 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.14 -29.71 68.67 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.8 1.24 . . . . 99.99 111.113 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 60.3 p -78.2 -24.71 47.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.766 0.827 . . . . 99.99 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.96 -54.51 7.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.227 0.611 . . . . 99.99 110.618 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 74.39 -50.29 0.68 Allowed 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.603 1.561 . . . . 99.99 113.309 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 51.0 tp 73.64 -70.17 0.17 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.011 1.724 . . . . 99.99 110.178 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -139.17 -75.79 0.36 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.796 -1.187 . . . . 99.99 107.796 170.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 171.89 -2.88 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.812 1.645 . . . . 99.99 108.798 -170.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . 0.462 ' HA ' ' HB3' ' E' ' 63' ' ' PRO . 22.8 t -50.93 -42.01 59.3 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 123.645 0.778 . . . . 99.99 111.395 177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.68 15.34 1.75 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.393 1.077 . . . . 99.99 112.373 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -90.82 -83.56 0.26 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.929 0.492 . . . . 99.99 110.114 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.45 -57.38 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.88 0.472 . . . . 99.99 111.312 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.6 ' HA ' ' SD ' ' E' ' 75' ' ' MET . 40.6 mtpt -115.69 99.85 52.94 Favored Pre-proline 0 N--CA 1.487 1.39 0 CA-C-N 118.61 0.641 . . . . 99.99 110.395 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . 0.462 ' HB3' ' HA ' ' E' ' 58' ' ' SER . 66.8 Cg_endo -83.89 -11.51 8.9 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.038 2.492 . . . . 99.99 113.932 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.29 152.91 39.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.499 0.72 . . . . 99.99 110.554 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -172.12 103.28 0.17 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.927 0.891 . . . . 99.99 109.069 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.633 ' HB3' ' HA3' ' E' ' 72' ' ' GLY . 28.8 t-20 -62.86 154.34 30.36 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.425 0.69 . . . . 99.99 110.12 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 12.8 tt -46.14 121.94 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.107 1.363 . . . . 99.99 111.867 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 pt -82.68 29.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.779 0.832 . . . . 99.99 112.129 -170.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.2 -55.93 15.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.431 1.093 . . . . 99.99 108.721 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.447 HD12 HG12 ' E' ' 71' ' ' ILE . 0.9 OUTLIER -159.61 -4.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.8 0.667 . . . . 99.99 112.8 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' D' ' 130' ' ' PRO . 20.9 pt -143.54 157.67 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.747 0.703 . . . . 99.99 112.132 -175.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . 0.633 ' HA3' ' HB3' ' E' ' 66' ' ' ASN . . . 79.78 156.08 11.19 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 114.98 -1.009 . . . . 99.99 114.236 171.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -179.28 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.081 1.352 . . . . 99.99 109.639 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.1 162.18 7.67 Favored Glycine 0 C--N 1.359 1.845 0 O-C-N 124.219 0.95 . . . . 99.99 113.82 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' E' ' 62' ' ' LYS . 25.4 ptt? -149.96 179.13 8.3 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.031 0.532 . . . . 99.99 111.846 -166.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.88 -170.24 45.95 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 110.684 -0.966 . . . . 99.99 110.684 166.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.03 151.12 23.53 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.672 0.736 . . . . 99.99 110.472 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 8.7 m -71.21 -46.71 60.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.056 0.943 . . . . 99.99 111.488 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -85.94 -29.46 23.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.828 -1.078 . . . . 99.99 111.31 -167.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.04 89.35 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-O 121.963 0.887 . . . . 99.99 109.915 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -148.85 172.06 15.27 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 125.265 1.426 . . . . 99.99 108.81 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' E' ' 2' ' ' LYS . . . -154.46 -78.96 0.1 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 122.899 0.48 . . . . 99.99 109.984 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' SG ' ' E' ' 308' ' ' CYS . . . 66.2 128.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 125.262 1.425 . . . . 99.99 112.53 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.43 ' HD3' ' HB2' ' E' ' 87' ' ' ALA . 0.0 OUTLIER -168.09 117.26 0.76 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 107.287 -1.375 . . . . 99.99 107.287 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -57.08 123.56 15.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 124.003 0.814 . . . . 99.99 111.098 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . 0.612 ' HB2' ' HG2' ' B' ' 39' ' ' GLU . 54.6 t80 59.64 -87.86 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.149 1.38 . . . . 99.99 111.561 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . 0.43 ' HB2' ' HD3' ' E' ' 84' ' ' ARG . . . 58.97 -83.57 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.146 1.379 . . . . 99.99 110.95 -171.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 176.08 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.347 0.49 0 N-CA-C 105.942 -1.873 . . . . 99.99 105.942 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.38 -139.18 2.99 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 114.836 -1.074 . . . . 99.99 111.652 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' HD3' ' E' ' 2' ' ' LYS . . . -153.95 142.3 20.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.909 0.884 . . . . 99.99 110.034 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.63 152.77 32.4 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.499 0.5 . . . . 99.99 112.331 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -155.15 -152.31 6.13 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.837 -0.505 . . . . 99.99 111.837 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 60.89 21.1 11.33 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.663 1.185 . . . . 99.99 112.312 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . 0.443 ' HZ ' HG21 ' D' ' 10' ' ' THR . 27.5 p90 -67.82 140.58 56.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.849 0.86 . . . . 99.99 110.406 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -74.06 111.95 9.73 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.631 0.773 . . . . 99.99 110.035 -162.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.47 -56.1 0.03 OUTLIER Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.174 -0.237 . . . . 99.99 113.451 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.402 HD11 HG13 ' D' ' 86' ' ' ILE . 23.7 pt -124.73 33.26 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 122.999 0.52 . . . . 99.99 111.897 -167.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.95 97.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.843 0.857 . . . . 99.99 112.699 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . 0.648 ' H ' HD12 ' E' ' 100' ' ' LEU . . . 161.9 -52.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.171 2.188 . . . . 99.99 106.742 175.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' E' ' 99' ' ' ALA . 3.8 mp 48.42 60.23 15.78 Favored Pre-proline 0 CA--C 1.563 1.458 0 CA-C-N 113.603 -1.635 . . . . 99.99 110.496 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -76.18 105.71 2.13 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.314 2.676 . . . . 99.99 112.567 -166.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.408 HD11 HD11 ' D' ' 98' ' ' LEU . 75.9 mt -73.24 119.45 17.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.481 -0.781 . . . . 99.99 109.273 171.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.8 p -77.8 72.59 4.35 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.946 0.879 . . . . 99.99 110.195 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . 0.464 ' HA2' ' HB3' ' D' ' 144' ' ' GLN . . . 164.05 35.98 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 114.416 -1.266 . . . . 99.99 111.203 -176.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 64.94 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.315 1.446 . . . . 99.99 109.435 -171.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -121.38 -73.3 0.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 106.351 -1.722 . . . . 99.99 106.351 162.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 2.6 p -154.39 75.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.915 -1.493 . . . . 99.99 107.913 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -85.44 88.34 7.5 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.842 -0.617 . . . . 99.99 109.821 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' D' ' 140' ' ' TYR . 51.1 m-85 -133.97 138.77 45.66 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.902 0.881 . . . . 99.99 109.286 -178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.5 44.61 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.85 0.86 . . . . 99.99 110.888 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.64 ' HB3' ' HB2' ' D' ' 44' ' ' LEU . 79.4 mt 58.72 -86.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.142 1.377 . . . . 99.99 112.783 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -74.27 -24.73 59.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 99.99 111.361 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.05 107.48 3.17 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 107.779 -1.193 . . . . 99.99 107.779 167.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -48.58 -56.46 8.34 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.837 1.336 . . . . 99.99 111.53 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p 52.77 -77.51 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.394 1.878 . . . . 99.99 112.955 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.88 4.22 1.18 Allowed Glycine 0 C--N 1.341 0.813 0 N-CA-C 111.256 -0.738 . . . . 99.99 111.256 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -94.42 -49.09 0.27 Allowed Pre-proline 0 CA--C 1.57 1.714 0 C-N-CA 124.47 1.108 . . . . 99.99 112.029 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -76.43 130.0 11.52 Favored 'Trans proline' 0 C--N 1.397 3.113 0 C-N-CA 121.895 1.73 . . . . 99.99 112.513 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -117.36 103.17 9.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.655 0.782 . . . . 99.99 109.776 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.797 ' HB2' HD11 ' D' ' 136' ' ' LEU . 3.2 t80 -170.14 175.08 5.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.012 0.925 . . . . 99.99 109.243 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 46.2 t 57.96 74.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.809 1.244 . . . . 99.99 110.215 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 30.2 m -141.17 -29.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.389 0.675 . . . . 99.99 110.061 -176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.88 -38.32 75.56 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.81 1.244 . . . . 99.99 112.389 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t 63.43 36.45 11.39 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.195 0.998 . . . . 99.99 111.603 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.5 88.45 0.67 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.107 0.563 . . . . 99.99 110.933 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.17 174.04 12.37 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.499 1.119 . . . . 96.83 110.046 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 22.9 t -146.16 -177.73 5.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 99.99 109.704 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.6 -179.26 5.27 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 74.48 110.396 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 45.0 p -141.9 178.83 7.24 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.229 0.611 . . . . 99.99 111.73 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.83 156.67 30.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.053 -0.976 . . . . 99.99 110.349 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -90.51 160.85 15.77 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.885 0.874 . . . . 99.99 110.609 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . 0.855 ' HA ' ' HB3' ' A' ' 124' ' ' PRO . 20.0 m -79.39 158.47 27.38 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.547 0.739 . . . . 99.99 112.715 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . 0.538 ' HB ' HD23 ' E' ' 470' ' ' LEU . 14.7 t -104.28 -174.43 2.54 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 114.972 -1.013 . . . . 99.99 110.055 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.71 127.68 1.91 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.616 -0.594 . . . . 89.58 111.616 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.56 96.86 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 122.06 0.933 . . . . 99.99 110.23 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.788 ' HA ' ' HG3' ' C' ' 12' ' ' GLN . 3.9 ttmp? -72.18 -35.13 68.91 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.69 -1.141 . . . . 99.99 110.843 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 25.0 m -61.24 -30.15 70.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.387 1.075 . . . . 99.99 112.498 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 45.7 t80 68.67 -71.21 0.12 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.511 1.124 . . . . 99.99 108.832 -170.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 77.06 -67.13 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.592 1.557 . . . . 99.99 113.826 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' E' ' 464' ' ' MET . . . -51.82 -62.14 5.85 Favored Glycine 0 C--N 1.36 1.877 0 O-C-N 124.411 1.069 . . . . 99.99 114.224 -170.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . 63.92 177.15 0.17 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.167 0.987 . . . . 99.99 113.049 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 136' ' ' LEU . 20.0 mt -100.27 -4.64 28.92 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.326 0.65 . . . . 99.99 111.907 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 176.12 25.61 0.03 OUTLIER Glycine 0 C--N 1.346 1.123 0 O-C-N 122.974 0.171 . . . . 99.99 113.036 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.27 138.51 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.098 0.959 . . . . 99.99 108.622 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.36 155.96 20.59 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.108 -0.701 . . . . 99.99 109.108 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tp -145.87 93.24 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.2 -1.037 . . . . 99.99 108.2 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -92.29 90.23 7.18 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.1 0.952 . . . . 99.99 109.564 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -128.03 106.22 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 107.108 -1.442 . . . . 99.99 107.108 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -77.24 155.47 32.12 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 122.934 0.493 . . . . 99.99 111.043 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.17 152.91 43.74 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.965 -1.016 . . . . 99.99 111.701 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -116.45 90.78 31.41 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 107.305 -1.369 . . . . 99.99 107.305 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.13 -35.63 11.21 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.868 2.379 . . . . 99.99 113.663 -169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 7.1 m 58.67 80.59 0.18 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.829 1.252 . . . . 99.99 109.177 -170.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -72.96 -3.53 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-N 114.822 -1.081 . . . . 99.99 112.245 -170.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.7 -48.75 76.99 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.396 1.078 . . . . 99.99 110.078 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -87.74 141.32 28.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.404 0.682 . . . . 99.99 110.058 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 48.7 ttm -166.88 -43.05 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.729 0.812 . . . . 99.99 110.426 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.23 60.13 0.9 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.793 0.437 . . . . 99.99 110.886 -173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . 0.417 ' HD2' ' HG3' ' E' ' 254' ' ' ARG . 8.9 tmtm? -65.25 -32.54 74.27 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.22 0.608 . . . . 99.99 110.226 175.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' E' ' 254' ' ' ARG . . . -72.87 -55.34 6.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.081 0.553 . . . . 99.99 110.153 172.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 64.76 -71.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.33 1.452 . . . . 99.99 111.392 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -173.6 128.55 1.51 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.69 -0.964 . . . . 99.99 110.69 175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 25.3 tp -142.97 163.4 32.9 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.291 0.636 . . . . 99.99 109.467 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 75.53 -68.86 0.19 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.525 1.53 . . . . 99.99 110.47 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 24.9 m 63.11 92.49 0.06 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.4 1.08 . . . . 99.99 110.221 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -148.6 90.28 0.14 Allowed Glycine 0 C--N 1.343 0.96 0 N-CA-C 111.261 -0.736 . . . . 99.99 111.261 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -77.9 93.75 4.45 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.243 0.617 . . . . 99.99 109.947 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . 0.727 HG13 ' H ' ' E' ' 240' ' ' GLY . 85.7 t -75.98 -42.41 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.153 0.581 . . . . 99.99 109.95 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 88.4 p 67.51 -51.42 0.5 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.06 2.544 . . . . 99.99 113.941 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 3.1 m 61.26 25.98 15.89 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 124.701 1.2 . . . . 99.99 110.551 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' E' ' 424' ' ' TYR . . . -96.38 5.32 51.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.747 0.819 . . . . 99.99 112.128 -173.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . 0.544 ' HG2' HG21 ' E' ' 421' ' ' VAL . 45.4 mt-10 -93.09 150.01 20.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.747 0.819 . . . . 99.99 110.166 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . 0.407 ' HB3' ' HD3' ' E' ' 231' ' ' LYS . 3.0 mm? -86.43 79.28 9.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.844 0.83 . . . . 99.99 110.925 -167.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . 0.45 ' HB3' HG21 ' B' ' 7' ' ' THR . 80.5 mt-30 -88.48 83.62 6.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.857 -1.164 . . . . 99.99 107.857 169.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -140.05 -42.78 0.42 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.518 1.127 . . . . 99.99 109.892 -171.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . 0.576 ' H ' ' HD2' ' E' ' 231' ' ' LYS . . . 74.01 -16.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.493 1.517 . . . . 99.99 114.193 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . 0.468 HG23 ' NZ ' ' E' ' 231' ' ' LYS . 14.4 p 46.96 78.15 0.42 Allowed Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 124.701 1.2 . . . . 99.99 111.374 -165.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.94 100.95 0.37 Allowed 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.327 2.685 . . . . 99.99 112.086 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . -99.58 -50.9 3.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.529 0.732 . . . . 99.99 109.378 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 65.33 174.56 0.21 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.904 1.282 . . . . 99.99 112.373 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.04 170.07 16.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.691 0.796 . . . . 99.99 109.644 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.19 105.27 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.264 -0.643 . . . . 99.99 109.264 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -77.36 77.66 3.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.864 0.866 . . . . 99.99 109.821 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -143.98 -62.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.311 1.444 . . . . 99.99 107.478 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 91.5 t 65.7 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 125.168 1.387 . . . . 99.99 109.945 -170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 19.8 m 74.56 -73.71 0.09 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.627 1.571 . . . . 99.99 111.832 171.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 15.4 m -74.8 -30.19 61.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.332 0.653 . . . . 99.99 112.212 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 62.05 42.41 9.95 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.321 1.048 . . . . 99.99 109.081 -172.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.52 17.78 11.05 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 114.014 -1.448 . . . . 99.99 110.972 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 45.0 t 65.76 -72.48 0.07 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.746 1.618 . . . . 99.99 112.223 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -72.56 -37.25 68.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.303 1.041 . . . . 99.99 110.361 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 67.35 54.03 22.21 Favored Glycine 0 CA--C 1.542 1.76 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.116 -171.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -86.08 13.19 2.81 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.735 2.29 . . . . 99.99 112.792 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' E' ' 197' ' ' SER . 16.2 m -72.25 -48.21 44.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.98 0.912 . . . . 99.99 110.248 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . 56.33 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.304 1.442 . . . . 99.99 111.953 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . 0.435 ' HA ' ' SG ' ' E' ' 200' ' ' CYS . 10.1 t -80.97 -13.14 59.15 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.006 0.922 . . . . 99.99 111.782 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' E' ' 194' ' ' SER . 24.3 m -81.52 -39.92 23.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.429 0.691 . . . . 99.99 111.954 -174.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.66 81.67 5.89 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 112.124 0.416 . . . . 99.99 112.124 -174.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 43.89 52.28 6.63 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.686 1.595 . . . . 99.99 113.36 164.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' E' ' 196' ' ' THR . 57.5 m -67.63 -42.23 34.71 Favored Pre-proline 0 CA--C 1.559 1.315 0 CA-C-N 114.995 -1.002 . . . . 99.99 112.067 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -61.56 -26.49 80.67 Favored 'Trans proline' 0 C--N 1.398 3.169 0 C-N-CA 121.612 1.541 . . . . 99.99 112.706 167.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.33 25.9 73.58 Favored Glycine 0 C--N 1.356 1.64 0 O-C-N 123.677 0.611 . . . . 99.99 113.191 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -159.35 156.67 28.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.172 0.989 . . . . 99.99 109.104 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.23 77.1 4.73 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.676 0.79 . . . . 99.99 110.926 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 9.3 mp 55.69 28.19 11.74 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.908 1.283 . . . . 99.99 112.788 173.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.11 26.07 15.19 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.626 1.17 . . . . 99.99 112.232 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -74.7 107.24 6.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.791 0.836 . . . . 99.99 109.318 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -109.45 -74.87 0.82 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 110.837 -0.905 . . . . 99.99 110.837 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -72.2 152.66 48.66 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.156 -0.378 . . . . 99.99 112.156 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -103.34 -42.66 5.66 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.698 0.799 . . . . 99.99 111.313 -175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 106.5 -163.9 13.52 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.395 -0.821 . . . . 99.99 111.684 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 63.3 m -146.77 154.59 41.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.467 0.707 . . . . 99.99 110.776 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 35.2 pt -75.37 -8.84 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.989 0.916 . . . . 99.99 111.93 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 5.6 m -66.47 -40.62 89.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.257 1.023 . . . . 99.99 111.407 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -70.91 -41.43 71.23 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.748 0.819 . . . . 99.99 109.69 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -21.36 66.3 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.992 0.917 . . . . 99.99 109.849 177.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 90.5 mt 73.09 3.66 4.73 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.594 1.558 . . . . 99.99 111.846 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' E' ' 423' ' ' SER . 22.6 tp 52.82 68.19 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.963 1.305 . . . . 99.99 110.743 -177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.44 -25.18 64.88 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.714 0.406 . . . . 99.99 111.488 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 62.77 -88.44 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.731 1.212 . . . . 99.99 111.554 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 63.87 -65.67 0.12 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.962 1.705 . . . . 99.99 113.568 -176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -56.75 90.79 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.507 1.123 . . . . 99.99 112.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.19 -24.32 16.31 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.567 1.147 . . . . 99.99 109.681 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.92 169.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.091 -0.959 . . . . 99.99 111.617 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 7.7 m -77.99 116.47 18.5 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.716 -0.675 . . . . 99.99 110.988 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 91.4 mt -120.02 -51.33 2.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.832 0.853 . . . . 99.99 109.416 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 82.03 123.1 0.69 Allowed Glycine 0 C--N 1.35 1.309 0 N-CA-C 111.072 -0.811 . . . . 99.99 111.072 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 74.32 88.72 0.2 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 111.824 -0.51 . . . . 99.99 111.824 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -69.3 74.77 0.38 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.151 -0.78 . . . . 99.99 111.151 173.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 63.71 -74.23 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.691 1.596 . . . . 99.99 110.665 -170.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.576 ' HD2' ' H ' ' E' ' 176' ' ' ALA . 37.0 ttpt 64.74 93.97 0.06 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.804 1.241 . . . . 99.99 111.927 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.6 t -101.41 86.7 3.03 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.143 -1.058 . . . . 99.99 108.143 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 66.45 -77.91 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.706 1.202 . . . . 99.99 110.099 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . -158.91 124.76 4.42 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.003 0.921 . . . . 99.99 108.774 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.37 115.61 6.49 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.439 0.696 . . . . 99.99 109.929 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 4.5 m -129.84 19.35 5.57 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.408 1.083 . . . . 99.99 109.363 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -81.0 -13.86 58.47 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.19 0.996 . . . . 99.99 112.155 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 11.8 t -159.7 -162.11 0.99 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.37 1.468 . . . . 99.99 107.251 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . 72.33 179.31 0.23 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.74 1.216 . . . . 99.99 111.902 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . 0.727 ' H ' HG13 ' E' ' 168' ' ' VAL . . . -112.78 96.74 0.84 Allowed Glycine 0 C--N 1.337 0.633 0 N-CA-C 111.078 -0.809 . . . . 99.99 111.078 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.19 138.3 58.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.304 0.642 . . . . 99.99 110.481 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 78.41 -23.01 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.836 1.654 . . . . 99.99 112.126 -175.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 66.6 46.58 1.78 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.022 1.329 . . . . 99.99 110.786 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -79.03 79.11 1.63 Allowed Glycine 0 C--N 1.341 0.855 0 CA-C-N 114.991 -1.004 . . . . 99.99 111.047 172.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.3 97.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.051 0.54 . . . . 99.99 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.8 m 68.4 109.42 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 124.556 1.16 . . . . 99.99 112.506 166.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.28 -19.31 65.48 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.948 0.899 . . . . 99.99 110.455 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -76.13 -9.26 58.48 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.439 1.095 . . . . 99.99 112.097 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -16.66 0.05 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 116.344 1.979 . . . . 99.99 116.344 -158.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -54.74 -22.51 14.26 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 123.86 0.864 . . . . 99.99 111.831 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -62.95 -11.94 22.1 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.669 1.587 . . . . 99.99 112.825 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -27.4 13.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.162 0.985 . . . . 99.99 112.53 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.05 -57.82 6.87 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.168 0.587 . . . . 99.99 109.518 171.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' E' ' 160' ' ' ALA . 5.2 tpm_? 60.7 -70.5 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.552 1.941 . . . . 99.99 113.558 174.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -73.92 78.92 0.89 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.667 -0.973 . . . . 99.99 110.667 171.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.4 -42.43 83.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.662 0.785 . . . . 99.99 109.394 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 59.13 20.64 8.6 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.316 1.447 . . . . 99.99 113.345 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 tp -73.98 -32.47 63.43 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.868 0.867 . . . . 99.99 110.221 177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 33.8 m -77.98 -15.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.619 0.767 . . . . 99.99 111.402 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 41.9 p -114.74 11.38 16.8 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.213 1.005 . . . . 99.99 111.361 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.52 -15.73 59.81 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.07 0.948 . . . . 99.99 111.951 -174.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.84 -17.15 34.27 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.437 1.095 . . . . 99.99 112.814 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.16 75.68 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.512 0.725 . . . . 99.99 110.452 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 21.7 t 74.16 -18.78 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.287 1.435 . . . . 99.99 113.866 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 62.65 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.466 1.506 . . . . 99.99 109.924 -176.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -159.81 126.77 4.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.125 0.97 . . . . 99.99 108.596 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.9 m -135.81 2.04 2.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.981 0.912 . . . . 99.99 110.948 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.58 47.4 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-O 122.582 1.182 . . . . 99.99 108.791 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 35.4 p -95.54 15.33 20.07 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.537 -1.211 . . . . 99.99 110.599 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 56.01 -97.82 0.08 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.601 1.16 . . . . 99.99 109.848 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -95.57 -71.75 0.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 122.83 0.452 . . . . 99.99 110.608 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -121.13 -57.08 1.88 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.915 0.886 . . . . 99.99 110.435 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.606 ' HG3' HG21 ' C' ' 10' ' ' THR . 1.5 tm0? -102.86 -87.69 0.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.589 0.355 . . . . 99.99 110.421 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -139.46 -42.22 0.45 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.836 0.854 . . . . 99.99 109.26 169.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.88 123.95 34.9 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 107.778 -1.193 . . . . 99.99 107.778 174.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.01 95.24 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 121.971 1.781 . . . . 99.99 110.213 170.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.456 ' HG ' HG12 ' C' ' 89' ' ' ILE . 0.3 OUTLIER -134.48 -129.74 0.16 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 118.879 -0.582 . . . . 99.99 109.621 -175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.726 HD13 ' HB ' ' C' ' 86' ' ' ILE . 37.9 tp 61.6 158.79 0.05 Allowed 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.762 1.225 . . . . 99.99 111.238 -160.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 107.45 115.72 3.99 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.551 -0.62 . . . . 99.99 111.551 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' C' ' 95' ' ' ALA . 0.8 OUTLIER -170.15 -70.75 0.02 OUTLIER 'General case' 0 C--O 1.241 0.639 0 N-CA-C 107.213 -1.402 . . . . 99.99 107.213 178.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.81 175.22 0.17 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.884 1.274 . . . . 99.99 110.588 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -156.79 115.85 3.39 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.996 -0.44 . . . . 99.99 109.957 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 64.92 -83.47 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.939 1.296 . . . . 99.99 111.601 172.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 118.43 -60.04 0.49 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-O 120.211 -0.216 . . . . 99.99 112.662 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -81.78 64.91 6.68 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.421 1.105 . . . . 99.99 110.357 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 69.4 mtm -88.31 158.55 49.02 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.501 1.12 . . . . 99.99 109.069 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . 0.466 ' HG2' HD13 ' C' ' 136' ' ' LEU . 14.4 Cg_exo -35.25 88.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 125.202 3.935 . . . . 99.99 116.657 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.466 HG21 ' HG ' ' C' ' 44' ' ' LEU . 57.3 t -123.08 -75.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 106.219 -1.771 . . . . 99.99 106.219 165.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.42 ' NH2' ' H ' ' C' ' 44' ' ' LEU . 5.7 mmp_? 45.75 -86.73 0.01 OUTLIER 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.286 1.434 . . . . 99.99 111.441 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.423 ' HE3' ' H ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -169.04 115.19 0.6 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 107.969 -1.122 . . . . 99.99 107.969 170.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.423 ' H ' ' HE3' ' E' ' 290' ' ' TRP . 6.3 mp -73.04 -39.26 66.1 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.25 1.02 . . . . 99.99 111.837 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -169.17 104.73 0.21 Allowed Glycine 0 C--N 1.348 1.222 0 CA-C-O 118.585 -1.12 . . . . 99.99 111.901 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.07 104.82 0.21 Allowed 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.675 2.917 . . . . 99.99 112.555 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.68 121.56 28.53 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.374 -0.973 . . . . 99.99 108.374 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -62.85 100.5 0.2 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.862 0.865 . . . . 99.99 111.018 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 20.4 m -74.29 165.86 24.46 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.162 0.985 . . . . 99.99 109.301 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.71 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 5.0 m-30 73.14 -0.11 3.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.294 1.038 . . . . 99.99 112.6 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.42 84.31 0.81 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.178 0.991 . . . . 99.99 110.125 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 73.1 -126.68 10.44 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 114.972 -1.013 . . . . 99.99 112.096 -174.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . 0.449 ' HB2' ' HG3' ' C' ' 124' ' ' PRO . 20.3 m120 65.54 -74.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.577 1.551 . . . . 99.99 111.4 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.497 ' HB ' ' HG3' ' E' ' 304' ' ' PRO . 47.2 pt -90.43 55.04 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 CA-C-O 122.266 1.031 . . . . 99.99 110.681 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.36 -23.29 64.16 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.213 -0.903 . . . . 99.99 110.877 172.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.429 ' HB2' ' NZ ' ' E' ' 303' ' ' LYS . 4.2 ttmp? -154.57 100.02 2.42 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 167.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.497 ' HG3' ' HB ' ' E' ' 301' ' ' ILE . 27.0 Cg_exo -64.2 -16.09 53.06 Favored 'Trans proline' 0 C--N 1.382 2.342 0 C-N-CA 123.37 2.713 . . . . 99.99 113.153 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -74.49 129.41 37.7 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.084 -0.71 . . . . 99.99 109.084 172.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 66.3 t -78.16 140.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.753 0.821 . . . . 99.99 111.105 -170.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 33.0 p -62.14 140.96 58.4 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.412 1.085 . . . . 99.99 110.278 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' E' ' 83' ' ' ALA . 49.6 t -101.02 100.19 10.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.939 0.496 . . . . 99.99 111.254 -175.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 6.8 m -142.22 93.18 7.31 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 108.647 -0.871 . . . . 99.99 108.647 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . 0.42 ' HG3' HE22 ' E' ' 3' ' ' GLN . 49.9 Cg_endo -87.02 25.52 0.67 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 123.165 2.577 . . . . 99.99 113.335 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -76.28 115.59 48.49 Favored Pre-proline 0 N--CA 1.482 1.141 0 C-N-CA 124.135 0.974 . . . . 99.99 111.732 -171.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -101.41 -162.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 123.73 2.953 . . . . 99.99 111.875 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -135.63 2.72 2.96 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.465 1.106 . . . . 99.99 110.35 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' E' ' 10' ' ' LEU . 31.1 mmt180 -85.76 93.99 9.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.721 0.808 . . . . 99.99 111.772 -177.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.24 23.57 1.04 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.025 0.93 . . . . 99.99 109.34 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.57 76.41 2.59 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.5 1.12 . . . . 99.99 111.217 -173.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 26.4 p -91.62 127.26 37.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.635 1.174 . . . . 99.99 110.897 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 6.1 p -113.39 131.26 23.03 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 123.717 0.807 . . . . 99.99 109.935 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.7 87.54 1.37 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.747 2.298 . . . . 99.99 110.703 172.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 40.1 p -63.83 -50.49 68.68 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.167 0.987 . . . . 99.99 112.304 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' E' ' 324' ' ' MET . 3.2 pp -68.73 -30.59 69.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.454 0.701 . . . . 99.99 111.522 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 65.32 -74.71 0.05 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.472 1.509 . . . . 99.99 113.023 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.33 -71.76 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.993 0.917 . . . . 99.99 111.978 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.555 ' HB2' HD13 ' E' ' 321' ' ' LEU . 0.7 OUTLIER 60.17 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.01 1.324 . . . . 99.99 109.973 -167.308 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 8.8 t -152.26 158.19 42.46 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.583 0.753 . . . . 99.99 110.291 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -110.12 -53.9 2.63 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.96 0.504 . . . . 99.99 110.579 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 60.25 7.5 1.28 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.213 1.405 . . . . 99.99 112.998 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.03 -51.89 8.97 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.139 0.976 . . . . 99.99 110.46 -173.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 13.7 tt -66.5 -31.86 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 115.584 -0.735 . . . . 99.99 110.882 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.21 -44.4 79.67 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.034 0.534 . . . . 99.99 110.403 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . 0.457 HD23 HD21 ' E' ' 335' ' ' ASN . 8.7 tt -68.93 -35.03 76.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.812 0.445 . . . . 99.99 110.043 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.49 150.49 29.65 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.764 0.826 . . . . 99.99 110.72 -173.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 23.0 t 85.74 -48.52 0.07 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.748 2.019 . . . . 99.99 112.275 171.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' E' ' 331' ' ' LEU . 0.0 OUTLIER -73.92 -4.87 37.72 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.54 0.57 . . . . 99.99 112.54 -178.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . 0.457 HD21 HD23 ' E' ' 331' ' ' LEU . 10.1 m120 -55.48 114.19 1.73 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.563 1.145 . . . . 99.99 110.399 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 79.67 -21.57 0.32 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 125.358 1.463 . . . . 99.99 111.676 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -65.11 102.62 0.65 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.729 0.812 . . . . 99.99 111.2 -175.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 137.27 -143.8 15.12 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.872 -0.891 . . . . 99.99 110.872 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 64.5 t80 58.36 70.06 0.68 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.851 1.261 . . . . 99.99 111.243 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 54.85 28.27 10.16 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.509 1.124 . . . . 99.99 113.193 168.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.09 -24.16 65.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.079 0.952 . . . . 99.99 112.102 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -125.33 83.04 2.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.311 0.644 . . . . 99.99 110.528 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 82.7 t -115.07 111.33 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.062 -1.088 . . . . 99.99 108.062 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.47 157.86 34.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.247 1.019 . . . . 99.99 111.141 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -137.03 174.03 21.88 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.308 -0.405 . . . . 99.99 112.771 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.28 82.92 0.15 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 99.99 110.648 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 52.0 m -140.26 81.5 1.81 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.566 -0.743 . . . . 99.99 109.755 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.7 pp -89.83 126.54 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.878 -0.601 . . . . 99.99 109.595 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.16 151.58 34.13 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.355 1.062 . . . . 99.99 109.917 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 65.22 91.87 0.08 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.819 1.247 . . . . 99.99 112.026 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 63.39 15.38 8.68 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.559 1.144 . . . . 99.99 113.057 163.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 25.4 t70 54.83 -110.57 0.57 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 124.928 1.291 . . . . 99.99 111.687 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -104.41 -32.9 8.81 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 118.844 0.747 . . . . 99.99 111.215 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -171.21 -26.39 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.998 1.319 . . . . 99.99 109.872 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 69.45 -93.53 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.718 1.607 . . . . 99.99 109.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 166.8 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 C-N-CA 125.554 1.542 . . . . 99.99 111.343 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.64 -13.14 36.53 Favored 'Trans proline' 0 C--N 1.398 3.133 0 C-N-CA 121.835 1.69 . . . . 99.99 113.328 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.2 125.0 29.29 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.604 -0.517 . . . . 99.99 109.604 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 87.76 155.64 29.03 Favored Glycine 0 C--N 1.34 0.794 0 O-C-N 123.722 0.639 . . . . 99.99 112.026 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 75.12 -40.31 0.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 125.816 1.646 . . . . 99.99 112.563 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 33.1 pt -53.42 107.12 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 124.167 0.987 . . . . 99.99 111.542 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.17 -45.31 0.84 Allowed Glycine 0 C--N 1.332 0.32 0 N-CA-C 110.506 -1.038 . . . . 99.99 110.506 -173.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.66 74.12 2.65 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.343 1.057 . . . . 99.99 110.403 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 40.2 p -85.95 -26.99 25.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.081 -0.963 . . . . 99.99 110.055 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 17.8 m -90.25 149.48 4.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.507 -0.77 . . . . 99.99 110.397 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.75 96.67 4.44 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.902 0.881 . . . . 99.99 109.988 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.76 -35.03 79.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.789 -1.189 . . . . 99.99 107.789 167.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.81 -55.73 13.06 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.268 -1.333 . . . . 99.99 112.156 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' E' ' 372' ' ' GLN . 32.0 tt0 -49.17 -37.07 21.21 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.832 1.253 . . . . 99.99 113.664 -170.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.51 69.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.025 0.828 . . . . 99.99 111.742 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 30.7 m -87.2 -25.29 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 115.851 -0.613 . . . . 99.99 111.183 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.432 ' HB3' ' HA ' ' E' ' 369' ' ' GLU . 6.6 tp60 -63.08 -32.69 74.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.569 1.147 . . . . 99.99 111.087 -175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -54.01 -44.06 70.59 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.898 0.879 . . . . 99.99 111.056 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -83.83 -48.99 9.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.582 0.753 . . . . 99.99 111.364 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.87 -20.47 62.52 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.544 0.942 . . . . 99.99 113.544 -169.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -29.85 69.73 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.247 0.476 . . . . 99.99 110.372 -177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.86 -37.95 88.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.271 0.628 . . . . 99.99 111.156 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -81.68 -47.7 12.63 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.52 -0.764 . . . . 99.99 111.406 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.94 -39.03 66.59 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.476 1.111 . . . . 99.99 112.4 -167.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' E' ' 380' ' ' LYS . 32.8 ttpt -62.55 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.457 1.103 . . . . 99.99 110.904 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.34 -173.21 3.96 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.214 1.406 . . . . 99.99 108.873 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 77.09 -150.32 37.16 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.621 -0.591 . . . . 99.99 111.621 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -139.34 -73.99 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.972 -0.751 . . . . 99.99 108.972 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 14.1 m 67.33 -14.43 0.19 Allowed 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.257 1.423 . . . . 99.99 114.367 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.57 -13.51 62.13 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.311 -0.868 . . . . 99.99 112.819 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.5 113.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 123.341 0.656 . . . . 99.99 110.025 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.25 112.15 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.404 1.082 . . . . 99.99 108.601 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 90.5 t -117.02 112.51 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.58 -0.896 . . . . 99.99 108.58 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 40.5 m -143.4 112.25 6.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.618 0.767 . . . . 99.99 109.879 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -80.04 161.28 25.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.927 0.891 . . . . 99.99 111.024 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -80.18 115.97 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -80.56 11.89 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.1 0.56 . . . . 99.99 111.745 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.6 168.66 17.18 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.829 0.851 . . . . 99.99 110.556 171.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.87 -30.79 70.36 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.58 0.752 . . . . 99.99 111.087 -176.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 62.72 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.281 1.432 . . . . 99.99 111.097 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 45.4 m -131.48 15.67 4.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.342 0.657 . . . . 99.99 111.654 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.49 82.87 4.72 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.204 0.602 . . . . 99.99 110.122 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 18.5 mm -116.7 32.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 107.69 -1.226 . . . . 99.99 107.69 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 m -76.22 89.01 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-N 114.677 -1.147 . . . . 99.99 112.224 -173.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 61.29 92.7 0.06 OUTLIER Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 124.79 1.236 . . . . 99.99 113.382 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 128.41 20.35 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.04 1.827 . . . . 99.99 110.832 171.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -78.0 79.1 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.058 0.943 . . . . 99.99 110.902 -172.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -64.25 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.067 2.147 . . . . 99.99 107.239 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 58.29 -77.62 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 126.127 1.771 . . . . 99.99 112.695 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.44 100.5 26.45 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 108.579 -0.897 . . . . 99.99 108.579 174.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.24 92.68 1.12 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.689 2.26 . . . . 99.99 112.918 -173.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 82.34 -71.92 2.9 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.986 -0.552 . . . . 99.99 112.461 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.31 101.08 0.06 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.452 1.501 . . . . 99.99 109.927 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 10.1 t -113.04 158.78 19.88 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.736 0.814 . . . . 99.99 109.283 174.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.45 -51.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.817 0.847 . . . . 99.99 109.083 -176.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -76.87 88.34 3.45 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.425 0.69 . . . . 99.99 111.369 -176.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.569 HD23 ' H ' ' E' ' 412' ' ' LEU . 2.3 pt? -92.03 85.96 5.68 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.915 0.864 . . . . 99.99 108.967 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . 0.464 HD22 ' H ' ' E' ' 413' ' ' ASN . 0.0 OUTLIER -63.71 97.01 0.14 Allowed 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.102 -0.954 . . . . 99.99 111.141 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 47.5 p -91.02 50.99 1.87 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.765 0.826 . . . . 99.99 109.861 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -12.89 61.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.084 -0.962 . . . . 99.99 111.929 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.27 -7.38 58.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.861 0.864 . . . . 99.99 110.811 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.35 81.51 0.28 Allowed Glycine 0 C--N 1.357 1.735 0 O-C-N 123.655 0.597 . . . . 99.99 113.246 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -76.02 103.32 6.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.652 0.781 . . . . 99.99 109.151 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.28 -3.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.976 0.91 . . . . 99.99 111.788 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 25.1 ptm -152.2 -163.5 1.75 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 124.668 1.187 . . . . 99.99 107.938 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' E' ' 172' ' ' GLU . 26.9 m -53.0 132.47 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.299 0.639 . . . . 99.99 112.492 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -70.56 -28.76 65.15 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.682 0.793 . . . . 99.99 110.818 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . 0.407 ' HA ' HD11 ' E' ' 218' ' ' LEU . 79.9 p -161.65 -166.91 1.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.256 1.022 . . . . 99.99 109.56 -173.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . 0.404 ' HD2' ' HB3' ' E' ' 171' ' ' ALA . 86.8 m-85 -117.43 27.78 8.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 99.99 110.115 174.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 63.06 -134.05 43.15 Favored Glycine 0 C--N 1.355 1.632 0 CA-C-N 115.537 -0.756 . . . . 99.99 113.048 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.37 126.39 22.66 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.821 0.848 . . . . 99.99 109.622 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 18.1 p -86.32 -36.0 19.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.068 0.947 . . . . 99.99 109.33 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.6 141.19 50.02 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.706 -1.134 . . . . 99.99 109.431 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.53 -66.78 0.54 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 118.285 -0.864 . . . . 99.99 112.839 -169.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.47 -81.03 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.286 1.403 . . . . 99.99 111.164 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 46.4 m -104.27 -61.49 1.44 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.34 1.056 . . . . 99.99 110.394 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.42 ' HG3' ' H ' ' E' ' 433' ' ' GLU . 11.6 pt20 -90.88 -66.17 0.95 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.016 -0.993 . . . . 99.99 111.591 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' E' ' 432' ' ' GLN . 4.4 tp10 164.33 -176.24 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.78 1.232 . . . . 99.99 108.14 -167.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -124.15 -168.22 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.902 0.881 . . . . 99.99 109.299 162.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 24.6 m 76.23 137.48 0.06 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.36 1.464 . . . . 99.99 111.985 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -148.03 161.23 28.54 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 116.658 -0.246 . . . . 99.99 112.964 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 18.5 t -157.07 -33.76 0.08 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.471 1.108 . . . . 99.99 109.709 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.47 91.63 0.18 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.542 1.137 . . . . 99.99 109.6 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 65.13 112.08 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.13 1.372 . . . . 99.99 109.974 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.485 ' NH1' HD22 ' A' ' 75' ' ' LEU . 79.9 mtt180 -90.67 58.22 3.83 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.269 0.628 . . . . 99.99 111.188 -175.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 25.0 pt 46.06 21.1 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 C-N-CA 126.444 1.897 . . . . 99.99 115.714 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 66.28 133.89 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.03 1.332 . . . . 99.99 112.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -159.94 -168.19 2.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.434 1.094 . . . . 99.99 108.729 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 3.1 t80 69.85 101.19 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.811 1.245 . . . . 99.99 110.927 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -138.5 142.34 12.98 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-O 118.777 -1.013 . . . . 99.99 111.447 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.19 170.24 19.57 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.219 2.613 . . . . 99.99 113.056 -177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -113.58 -60.1 1.93 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.544 -0.539 . . . . 99.99 109.544 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 57.58 179.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.398 1.079 . . . . 99.99 112.553 -174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . -172.31 -175.09 1.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.596 0.758 . . . . 99.99 110.391 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -90.17 166.97 13.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.941 0.896 . . . . 99.99 109.806 171.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 87.5 t 73.06 -61.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.347 1.459 . . . . 99.99 111.516 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.455 HG13 HD13 ' A' ' 98' ' ' LEU . 33.2 t -69.35 -66.2 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 108.366 -0.976 . . . . 99.99 108.366 171.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . 73.0 -90.15 0.58 Allowed Glycine 0 C--N 1.357 1.726 0 O-C-N 123.916 0.76 . . . . 99.99 114.825 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 46' ' ' THR . 10.2 mp 61.41 -87.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.307 1.443 . . . . 99.99 111.222 -171.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . 0.524 HG22 ' H ' ' E' ' 456' ' ' ASP . 3.8 m 62.79 179.23 0.14 Allowed 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.688 1.195 . . . . 99.99 110.667 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . 0.524 ' H ' HG22 ' E' ' 455' ' ' THR . 2.7 m-20 65.67 -90.33 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.866 1.266 . . . . 99.99 110.816 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -174.22 37.15 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.078 0.951 . . . . 99.99 109.726 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 26.9 m -53.87 115.01 1.78 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.152 0.981 . . . . 99.99 113.403 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.5 -146.56 0.38 Allowed 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.881 1.273 . . . . 99.99 111.55 167.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 69.73 -4.14 1.5 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.022 1.729 . . . . 99.99 113.241 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 56.37 -76.93 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.849 2.06 . . . . 99.99 114.489 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -95.33 170.56 9.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.111 1.764 . . . . 99.99 111.658 -168.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 9.5 p -146.13 120.15 9.41 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.758 1.223 . . . . 99.99 107.883 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.5 ' SD ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -90.59 162.7 14.87 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.211 0.605 . . . . 99.99 112.301 -174.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -166.36 126.99 1.69 Allowed 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.473 -1.306 . . . . 99.99 107.473 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -149.8 -173.48 4.43 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.048 0.451 . . . . 99.99 111.43 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -123.94 163.77 20.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.447 1.099 . . . . 99.99 108.738 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . . . . . . . . . 23.6 tp -74.09 -60.65 2.17 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 110.307 -0.257 . . . . 99.99 110.307 -175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 109.82 -88.12 0.5 Allowed Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.567 -0.574 . . . . 99.99 112.485 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' E' ' 133' ' ' THR . 69.8 mt 68.56 -176.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.088 1.355 . . . . 99.99 112.424 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 124.146 0.978 . . . . 99.99 108.969 175.899 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpp? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.063 -0.717 . . . . 99.99 109.063 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 58.78 -80.73 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.195 1.398 . . . . 99.99 111.022 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -134.78 -54.17 0.82 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.344 1.058 . . . . 99.99 108.294 172.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 64.91 9.68 5.57 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.084 1.354 . . . . 99.99 111.274 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.523 HD22 HG11 ' E' ' 451' ' ' VAL . 73.5 m-20 58.41 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.169 1.388 . . . . 99.99 110.942 -167.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 63.37 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.066 1.346 . . . . 99.99 110.659 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -79.86 169.9 17.26 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.06 0.944 . . . . 99.99 110.461 169.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 63.73 -87.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.706 1.202 . . . . 99.99 110.451 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 51.6 ttm -70.18 128.29 35.74 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.273 -0.64 . . . . 99.99 109.273 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' E' ' 451' ' ' VAL . 1.7 p -162.66 142.75 9.5 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.657 0.783 . . . . 99.99 110.655 -171.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -116.41 118.84 33.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.658 1.183 . . . . 99.99 107.986 173.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -135.59 135.5 40.32 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.684 0.794 . . . . 99.99 109.005 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.8 mt -81.75 123.58 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.935 -0.765 . . . . 63.61 108.935 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -93.66 -39.08 10.99 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.228 0.611 . . . . 99.99 110.288 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 HH12 ' HA ' ' B' ' 29' ' ' PRO . 48.3 ttt180 -171.29 124.07 0.59 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.344 -0.389 . . . . 87.02 110.016 -167.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.55 133.01 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.795 -0.817 . . . . 27.8 108.795 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 13.7 p90 -167.64 175.56 6.95 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 123.968 0.793 . . . . 37.37 111.376 -171.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -97.69 114.54 26.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.305 -0.861 . . . . 12.57 109.108 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 34.5 mtpt -84.04 -20.49 32.6 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.608 0.363 . . . . 37.56 111.486 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 9.8 t70 -160.11 150.83 18.85 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.703 0.627 . . . . 38.09 109.344 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 81.2 mt -153.52 146.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.123 1.769 . . . . 5.43 107.212 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 t -153.7 146.16 24.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.599 0.76 . . . . 6.92 109.41 168.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 60.5 t80 -144.47 132.43 21.47 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.517 -1.29 . . . . 5.61 107.517 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.64 137.29 49.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.689 -0.856 . . . . 36.27 108.689 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.32 79.97 17.05 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.713 -1.217 . . . . 12.68 107.713 171.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.39 -34.52 86.68 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.061 2.507 . . . . 32.78 111.787 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.713 ' HB2' ' HB2' ' A' ' 30' ' ' HIS . 5.3 p30 -114.33 36.44 3.75 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 114.851 -1.068 . . . . 80.05 110.548 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.06 74.61 Favored Pre-proline 0 CA--C 1.566 1.559 0 O-C-N 123.713 0.633 . . . . 31.49 112.107 166.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.3 -30.08 1.7 Allowed 'Trans proline' 0 C--N 1.394 2.937 0 C-N-CA 121.542 1.494 . . . . 44.68 113.893 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 7.5 m170 -81.27 -17.89 47.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 122.313 -0.242 . . . . 99.99 111.64 -171.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.75 -3.07 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 123.761 0.824 . . . . 99.99 110.782 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -73.07 -33.7 65.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.007 0.523 . . . . 99.99 109.706 167.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -86.11 -49.53 7.7 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.517 0.727 . . . . 99.99 110.329 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -76.81 133.4 39.39 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.88 140.0 47.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.895 -0.409 . . . . 99.99 109.895 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -82.0 84.99 6.8 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.372 0.669 . . . . 99.99 109.868 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -137.08 58.78 19.09 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.956 0.903 . . . . 99.99 109.299 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -95.23 179.03 0.69 Allowed 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 123.438 2.759 . . . . 57.34 113.955 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -96.96 107.19 19.67 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.025 -1.102 . . . . 99.99 108.025 170.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 65' ' ' THR . 66.8 t -96.2 120.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 122.29 0.236 . . . . 48.36 110.379 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -105.56 136.2 45.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.279 1.032 . . . . 99.99 109.959 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.06 151.86 20.89 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.774 0.829 . . . . 97.85 110.005 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 63' ' ' THR . 10.9 t70 -148.16 147.62 29.67 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.93 -0.396 . . . . 85.15 109.93 175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 131' ' ' VAL . 72.4 mt -139.14 130.99 27.62 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.796 0.838 . . . . 99.99 111.268 -177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 5.1 m-20 -132.74 161.24 34.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.482 1.113 . . . . 78.84 108.345 169.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.4 m -148.44 137.9 22.03 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.289 0.636 . . . . 43.33 110.07 172.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.05 110.85 11.95 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.548 -0.908 . . . . 41.53 108.548 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.1 p -90.18 149.53 22.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.383 0.673 . . . . 88.8 109.749 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -153.19 119.63 5.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.503 0.721 . . . . 73.87 109.178 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.98 108.88 13.91 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD11 ' HB2' ' A' ' 57' ' ' GLU . 23.8 mt -80.56 -40.66 25.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.062 0.945 . . . . 99.99 110.124 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.14 -177.53 5.8 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.177 0.991 . . . . 99.99 110.142 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -59.41 109.32 0.86 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.566 0.747 . . . . 99.99 110.642 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 62.5 21.07 12.38 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.971 1.308 . . . . 99.99 112.313 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -112.02 116.09 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.069 -1.086 . . . . 99.99 108.069 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -115.0 159.68 20.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.352 0.596 . . . . 99.99 109.728 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.73 ' HB2' HD11 ' A' ' 51' ' ' LEU . 32.4 tt0 -126.47 128.05 46.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.635 -1.617 . . . . 57.04 106.635 169.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.68 124.52 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.852 -0.796 . . . . 54.22 108.852 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG22 ' HD3' ' A' ' 19' ' ' LYS . 21.9 t -99.53 127.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.823 -0.806 . . . . 29.36 108.823 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -107.27 107.89 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.047 0.939 . . . . 19.86 108.518 -175.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 28.8 ttp180 -90.19 127.39 36.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.157 -0.682 . . . . 99.99 109.157 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 42.9 t -123.2 130.09 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 107.257 -1.386 . . . . 13.6 107.257 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 m -121.08 130.2 53.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.794 -0.817 . . . . 17.22 108.794 173.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 126' ' ' LEU . 91.1 t -126.08 105.94 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.566 -1.272 . . . . 14.92 107.566 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 22.5 m -113.57 140.82 47.85 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.77 -0.826 . . . . 21.43 108.77 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.62 108.71 10.11 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.572 -0.899 . . . . 23.61 108.572 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.8 p -107.06 130.05 54.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.399 0.68 . . . . 57.75 110.282 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.73 86.26 2.43 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.244 -1.021 . . . . 99.99 108.244 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.65 -127.53 7.97 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.734 -1.121 . . . . 93.1 111.651 -174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -88.79 -27.06 21.37 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.257 0.551 . . . . 99.99 109.854 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 32.5 tt0 -95.77 97.15 9.47 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.827 -0.624 . . . . 99.99 109.598 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 m -62.61 123.98 19.8 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.869 0.868 . . . . 30.12 110.855 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.6 -56.25 24.29 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.918 1.287 . . . . 22.88 111.044 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -158.18 167.09 30.77 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.846 -1.07 . . . . 30.01 111.172 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 51.6 tp -141.2 135.27 30.6 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.714 1.206 . . . . 14.44 108.222 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 62.3 m -137.57 106.25 5.88 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.707 0.803 . . . . 14.43 109.326 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 36.5 tt0 -118.59 121.9 41.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.883 -0.414 . . . . 35.14 109.883 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.45 112.82 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.841 0.856 . . . . 9.47 110.403 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 2.0 mp0 -92.8 90.9 7.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.485 1.114 . . . . 43.33 108.755 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 6.6 tp-100 -86.72 102.47 14.26 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.855 0.862 . . . . 15.31 109.096 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -94.96 144.2 17.05 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.963 -0.455 . . . . 20.02 111.963 178.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -140.48 121.93 2.06 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.625 -0.59 . . . . 41.88 111.625 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.16 125.95 39.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.469 -0.938 . . . . 66.87 108.469 171.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -132.0 121.4 23.85 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 108.687 -0.857 . . . . 77.52 108.687 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -80.46 101.31 8.99 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 108.996 -0.742 . . . . 99.99 108.996 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.0 tp -95.99 169.66 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.182 -1.044 . . . . 99.99 108.182 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 9' ' ' MET . . . -150.48 136.87 18.77 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.639 -0.696 . . . . 99.99 109.244 168.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.52 -11.07 66.94 Favored Glycine 0 CA--C 1.535 1.288 0 N-CA-C 116.435 1.334 . . . . 99.99 116.435 162.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HB ' ' SD ' ' A' ' 94' ' ' MET . 2.6 mp -118.02 147.35 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 CA-C-N 119.116 1.458 . . . . 99.99 109.329 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -149.74 173.02 14.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.743 0.817 . . . . 99.99 109.609 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.79 -155.95 50.15 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 114.463 0.545 . . . . 99.99 114.463 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 13.8 t -71.19 -31.75 68.02 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.959 0.504 . . . . 99.99 111.169 -176.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -35.41 77.39 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.183 0.593 . . . . 99.99 110.413 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.489 ' O ' HD13 ' A' ' 98' ' ' LEU . 2.5 tpt -70.93 -45.71 63.75 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.664 -0.495 . . . . 99.99 109.664 168.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' THR . . . -62.63 -17.15 59.76 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.59 0.959 . . . . 99.99 113.59 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -82.51 -30.48 29.78 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.906 0.482 . . . . 99.99 111.1 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' E' ' 454' ' ' LEU . 35.6 t -62.87 -44.46 96.07 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.732 0.777 . . . . 99.99 109.295 166.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 94' ' ' MET . 8.2 mp -79.52 -10.26 59.77 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.874 -1.512 . . . . 99.99 112.471 -174.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -110.01 -22.41 6.58 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 120.054 -0.303 . . . . 99.99 112.643 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 104' ' ' ASN . . . -106.31 -69.41 0.83 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 117.552 0.676 . . . . 95.56 110.502 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -75.33 -61.5 1.88 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.901 0.48 . . . . 94.48 111.989 -170.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.7 m -52.88 -46.99 96.76 Favored Pre-proline 0 CA--C 1.559 1.299 0 N-CA-C 114.417 1.266 . . . . 73.2 114.417 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 106' ' ' LEU . 57.8 Cg_endo -67.86 -35.93 19.72 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 121.53 1.487 . . . . 48.9 111.952 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 20.3 m-80 -83.19 -9.45 59.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.67 0.618 . . . . 94.19 112.67 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 105' ' ' ILE . 7.4 tp -93.01 -21.71 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 110.026 -0.361 . . . . 55.88 110.026 166.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.561 HD21 ' HA3' ' A' ' 82' ' ' GLY . 31.8 mt -72.58 -27.77 62.4 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.879 0.872 . . . . 21.71 110.514 165.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.527 ' HZ ' HD12 ' A' ' 128' ' ' LEU . 54.0 t80 -64.66 -37.4 22.98 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-O 117.421 -1.276 . . . . 15.39 113.56 -172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.05 -39.23 80.32 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.618 2.212 . . . . 9.95 114.145 166.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -74.58 -36.39 63.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.014 0.525 . . . . 20.66 110.501 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 80' ' ' GLN . . . -72.85 -35.36 67.21 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.257 0.551 . . . . 7.34 111.08 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 127' ' ' ASN . 35.5 ttm180 -61.42 -42.44 98.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.438 1.495 . . . . 15.45 110.062 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.64 -39.41 84.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.48 1.113 . . . . 46.26 110.42 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.14 -36.52 83.33 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.866 -0.606 . . . . 4.41 110.996 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.99 -42.29 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.239 1.016 . . . . 7.34 110.526 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.475 HG21 ' HE2' ' C' ' 109' ' ' TYR . 72.6 m -58.8 -49.8 76.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.981 0.912 . . . . 7.28 110.958 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 t -63.98 -42.42 97.23 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.813 -1.085 . . . . 4.96 110.31 -177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.6 ttp -68.44 -38.31 81.03 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.426 -1.261 . . . . 48.88 111.64 -170.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.76 -31.66 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.748 0.419 . . . . 26.6 110.791 175.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.1 t -70.09 -31.17 68.61 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.212 0.605 . . . . 17.97 110.967 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -74.07 -26.6 60.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.911 0.884 . . . . 8.38 109.928 173.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.95 89.19 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 124.013 0.821 . . . . 6.18 113.901 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.436 HG22 HH21 ' B' ' 15' ' ' ARG . 9.5 m 64.94 16.59 10.62 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.753 1.221 . . . . 20.1 111.398 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -81.51 154.01 71.18 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.745 1.218 . . . . 13.71 109.999 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.32 140.2 90.65 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.023 2.482 . . . . 20.05 112.415 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 115' ' ' THR . 52.7 tt0 -61.34 129.33 40.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.067 0.547 . . . . 39.31 110.723 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.579 HD21 HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -131.47 127.8 38.11 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.932 -1.136 . . . . 56.76 107.932 167.201 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.4 ' HB3' ' HD3' ' A' ' 111' ' ' ARG . 69.6 m-20 -105.7 123.17 47.5 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.292 -1.373 . . . . 38.41 107.292 172.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.527 HD12 ' HZ ' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -74.76 140.91 44.37 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 122.832 0.453 . . . . 62.97 110.41 -176.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.47 150.57 76.72 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.347 1.059 . . . . 56.46 111.304 -178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' E' ' 141' ' ' ALA . 63.3 Cg_endo -79.98 136.03 11.51 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.045 2.497 . . . . 77.42 111.396 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' E' ' 462' ' ' TYR . 37.2 t -132.19 131.13 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.146 0.578 . . . . 99.99 110.14 -171.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.659 ' HB2' ' HB2' ' E' ' 460' ' ' LEU . 24.4 t-20 -91.33 98.84 11.95 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.88 -0.785 . . . . 99.99 108.88 173.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -87.0 -8.53 57.1 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.871 -1.059 . . . . 99.99 110.857 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.28 -48.24 73.87 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.488 1.115 . . . . 99.99 112.516 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.35 -28.66 67.33 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.329 0.585 . . . . 99.99 110.714 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.66 -16.83 53.0 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.123 -0.944 . . . . 99.99 109.962 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -89.43 -22.82 22.34 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.231 1.012 . . . . 99.99 110.248 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 47.2 mtp -62.54 -34.7 77.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.784 0.434 . . . . 99.99 111.449 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -64.49 -20.4 66.18 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.372 0.269 . . . . 99.99 111.482 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -93.88 -31.21 14.42 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.095 0.958 . . . . 99.99 111.026 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -48.45 -40.24 25.55 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 125.591 1.556 . . . . 99.99 113.247 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 145' ' ' ALA . 6.2 tp-100 -144.84 21.6 1.62 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 109.012 -0.736 . . . . 99.99 109.012 -174.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 59.4 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.026 1.331 . . . . 99.99 111.838 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 64.51 16.04 9.99 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.11 1.364 . . . . 99.99 112.503 -175.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 142' ' ' GLN . . . -79.42 69.18 5.62 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.879 0.847 . . . . 99.99 110.757 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.81 114.46 0.57 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.061 -1.215 . . . . 99.99 110.061 -175.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -81.8 -28.76 33.0 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 123.403 0.681 . . . . 99.99 110.578 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 117.19 -17.64 12.56 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 115.343 -0.844 . . . . 99.99 111.45 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.2 m -89.6 -72.25 0.57 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.604 0.762 . . . . 99.99 109.493 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 46.55 42.57 11.31 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.227 1.411 . . . . 99.99 111.509 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.64 -43.68 72.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.738 -1.119 . . . . 99.99 110.586 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 71.66 -63.02 0.44 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.39 1.476 . . . . 99.99 112.394 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 74.19 -68.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.324 1.449 . . . . 99.99 110.604 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -141.23 -7.98 1.02 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.043 0.937 . . . . 99.99 110.378 174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.582 0.753 . . . . 99.99 109.518 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.437 -0.579 . . . . 99.99 109.437 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m 72.46 162.39 0.26 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.251 1.42 . . . . 99.99 112.263 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' E' ' 233' ' ' PHE . 2.7 mp0 -72.59 -30.83 64.72 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.606 -1.179 . . . . 99.99 109.849 176.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 54.64 117.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 127.205 2.202 . . . . 99.99 113.964 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.73 177.83 4.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.595 0.758 . . . . 99.99 110.927 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -81.33 124.62 29.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.744 0.818 . . . . 99.99 111.219 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.1 p -132.86 -55.15 0.93 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.905 0.882 . . . . 99.99 109.112 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 86.41 4.1 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.483 1.113 . . . . 99.99 108.339 173.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.0 OUTLIER 67.29 169.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.602 1.561 . . . . 99.99 111.973 179.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.521 ' N ' ' SD ' ' B' ' 9' ' ' MET . 8.6 t -151.95 115.04 4.7 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.001 0.92 . . . . 99.99 108.518 168.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.7 t80 -150.26 144.07 25.34 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.013 0.375 . . . . 93.55 112.013 -175.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -157.21 140.94 15.95 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.818 -1.083 . . . . 99.99 109.841 165.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mm -62.92 129.12 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.57 0.748 . . . . 40.88 109.197 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.14 -50.82 3.02 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.844 0.293 . . . . 85.25 110.927 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.436 HH21 HG22 ' A' ' 122' ' ' THR . 65.3 ttt180 -163.53 150.17 12.09 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.872 0.469 . . . . 95.33 110.314 -171.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.2 mt -126.92 143.56 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 124.505 1.122 . . . . 13.6 108.788 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -173.0 158.77 3.84 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.005 0.431 . . . . 23.1 111.952 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.569 HG21 HD11 ' B' ' 21' ' ' ILE . 94.3 m -82.18 131.5 35.24 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.009 -0.737 . . . . 6.51 109.009 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -94.36 -46.53 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.578 -0.527 . . . . 19.94 109.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -139.0 142.05 38.31 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.222 -0.444 . . . . 37.8 111.366 -169.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 39.5 mm -130.11 150.43 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.799 1.239 . . . . 5.14 109.989 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -143.33 141.75 31.07 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.309 -1.314 . . . . 19.25 108.656 166.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.565 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 88.7 t80 -154.29 107.16 2.84 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.277 -1.379 . . . . 9.84 107.277 166.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -123.8 111.75 16.5 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.593 -0.891 . . . . 50.65 108.593 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -115.66 86.19 15.25 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.284 0.634 . . . . 18.09 110.073 -176.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.0 -15.92 12.81 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.679 2.253 . . . . 31.77 112.706 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -120.26 29.83 7.28 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.89 0.876 . . . . 49.39 109.301 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.68 -46.72 79.75 Favored Pre-proline 0 CA--C 1.566 1.57 0 N-CA-C 115.034 1.494 . . . . 51.5 115.034 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.421 ' HA ' HH12 ' A' ' 15' ' ' ARG . 17.0 Cg_exo -69.94 -22.49 31.19 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.047 1.831 . . . . 70.98 113.39 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -75.3 -12.96 60.38 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.862 0.69 . . . . 99.99 112.862 -173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.15 -20.27 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-N 118.492 0.587 . . . . 99.99 111.398 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.86 -44.74 96.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.292 0.637 . . . . 99.99 110.381 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -86.15 -37.94 18.24 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.624 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -94.31 68.53 3.6 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.482 0.658 . . . . 98.87 109.414 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.17 97.23 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.208 -0.905 . . . . 99.99 110.371 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 37.0 p90 -163.67 170.9 16.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.895 1.278 . . . . 99.99 108.517 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 110.77 7.37 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 108.338 -0.986 . . . . 99.99 108.338 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HB2' ' HB1' ' B' ' 66' ' ' ALA . 19.4 Cg_endo -57.92 135.22 67.5 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.334 2.023 . . . . 63.52 112.554 -174.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.61 102.63 0.07 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.742 1.276 . . . . 99.99 109.508 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.66 143.93 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.614 -0.721 . . . . 72.1 110.372 -172.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -129.75 109.77 11.22 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.539 -1.282 . . . . 99.99 107.539 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.27 148.01 25.82 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.607 0.718 . . . . 96.73 110.495 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 8.5 t70 -152.3 155.69 38.16 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 106.374 -1.713 . . . . 92.63 106.374 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.75 127.87 25.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.113 -1.069 . . . . 67.27 108.113 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 16.5 t70 -123.17 149.42 44.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.272 1.029 . . . . 58.71 108.455 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.453 ' H ' ' HG3' ' E' ' 22' ' ' ARG . 22.0 p -142.1 123.15 14.56 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.993 0.917 . . . . 66.97 110.117 -168.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.74 152.85 38.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 35.64 109.889 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.8 t -144.44 164.57 30.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.326 0.651 . . . . 74.75 110.017 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -151.66 156.83 41.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.92 0.888 . . . . 43.74 109.934 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -99.12 134.94 41.25 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.209 0.604 . . . . 89.61 110.394 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.2 mt -100.94 -45.78 5.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.937 0.895 . . . . 71.01 110.201 175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.63 -166.17 1.83 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.529 -0.76 . . . . 85.91 111.154 -174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.46 110.7 2.04 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.19 -0.914 . . . . 99.99 110.433 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 68.66 -1.78 1.86 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.235 1.414 . . . . 99.99 112.421 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.0 t -103.07 120.08 52.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 N-CA-C 108.508 -0.923 . . . . 76.71 108.508 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.71 179.7 5.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.25 -0.887 . . . . 98.07 109.54 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -143.1 105.75 4.48 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.001 -1.481 . . . . 46.84 107.001 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.615 HG11 HD22 ' B' ' 98' ' ' LEU . 38.7 t -101.52 124.37 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 123.816 0.698 . . . . 57.34 109.526 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.545 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 24.3 t -102.28 146.73 9.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 124.256 1.023 . . . . 21.57 109.51 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.22 104.23 7.18 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.594 -0.891 . . . . 62.33 108.594 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 15.8 ttm-85 -87.96 128.43 35.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.989 0.516 . . . . 95.32 110.053 178.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' B' ' 114' ' ' ILE . 58.1 t -115.27 106.83 21.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 107.756 -1.201 . . . . 14.84 107.756 174.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 73.2 m -96.24 113.92 25.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.417 0.687 . . . . 28.15 109.446 -175.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.638 HG21 HG21 ' B' ' 114' ' ' ILE . 85.4 t -111.62 133.27 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 114.719 -1.128 . . . . 18.14 109.287 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -125.97 150.68 47.85 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.887 -1.153 . . . . 24.35 107.887 170.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' B' ' 38' ' ' PRO . . . -143.32 140.37 30.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.102 -0.703 . . . . 26.44 109.102 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 22.0 m -142.57 137.04 29.83 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.799 0.687 . . . . 56.64 110.508 -173.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.68 ' HG ' ' HB2' ' B' ' 73' ' ' ALA . 14.3 mt -104.69 96.63 6.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 106.761 -1.57 . . . . 62.67 106.761 173.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 111.921 -0.472 . . . . 81.37 111.921 -171.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -113.52 14.99 19.1 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.48 0.712 . . . . 99.99 110.952 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 68' ' ' LEU . 16.3 pt-20 -114.3 142.88 45.74 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.788 -0.819 . . . . 99.99 108.788 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.6 m -74.26 113.03 11.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.628 0.371 . . . . 33.32 110.299 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.68 ' HB2' ' HG ' ' B' ' 68' ' ' LEU . . . -68.83 -54.86 13.33 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.793 -0.817 . . . . 25.99 108.793 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.511 ' HZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 p90 -159.91 162.39 34.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.924 -1.035 . . . . 18.76 111.959 175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' B' ' 23' ' ' PHE . 83.5 mt -124.88 110.12 13.87 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.074 -1.454 . . . . 16.93 107.074 174.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.02 138.97 51.85 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.097 -1.075 . . . . 12.76 108.097 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -157.96 137.28 11.79 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.558 -0.534 . . . . 30.38 109.558 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' B' ' 113' ' ' CYS . 83.6 t -128.32 143.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 8.91 108.858 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -115.71 86.93 2.56 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.431 -1.322 . . . . 33.15 107.431 171.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -79.94 99.41 7.59 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.079 -0.711 . . . . 11.26 109.079 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -90.13 158.6 26.94 Favored Glycine 0 C--O 1.241 0.544 0 CA-C-N 115.52 -0.764 . . . . 11.78 111.478 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.15 126.61 2.07 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.809 -0.916 . . . . 23.01 110.809 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.72 126.68 40.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.393 -1.336 . . . . 39.34 107.393 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.69 136.39 37.36 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 106.731 -1.581 . . . . 63.88 106.731 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 43.1 p -87.7 87.59 7.42 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 107.312 -1.366 . . . . 82.93 107.312 171.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.556 ' HB ' ' HD2' ' B' ' 11' ' ' PHE . 5.8 tt -131.51 112.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.548 1.139 . . . . 98.2 110.244 -164.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.62 174.53 15.21 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.734 0.642 . . . . 99.99 112.734 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.01 -56.0 0.48 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.343 -0.844 . . . . 99.99 114.305 171.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -90.04 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 113.958 1.096 . . . . 99.99 113.958 -166.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 50.3 mt-10 -150.37 177.24 10.16 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.417 1.487 . . . . 99.99 109.163 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.53 -135.74 21.17 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 119.869 -0.406 . . . . 99.99 113.205 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 21.5 m -64.98 -30.43 71.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.506 0.723 . . . . 99.99 111.036 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -75.44 -28.87 59.51 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.95 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.633 ' HE1' HD12 ' B' ' 98' ' ' LEU . 9.1 tpt -65.43 -43.24 91.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.083 0.553 . . . . 99.99 110.281 172.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.55 70.21 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.98 -1.009 . . . . 99.99 111.161 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -68.75 -50.4 50.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.448 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.455 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 90.6 m -64.19 -65.57 0.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.87 0.732 . . . . 99.99 112.548 -167.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.633 HD12 ' HE1' ' B' ' 94' ' ' MET . 45.8 mt -91.75 -2.48 56.95 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.188 0.44 . . . . 71.23 112.188 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.36 -14.16 66.75 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 119.7 -0.5 . . . . 59.87 113.325 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.76 -52.56 0.07 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.838 0.819 . . . . 71.19 112.334 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 74.5 t80 -65.62 -37.05 85.49 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 113.678 -1.601 . . . . 99.99 113.712 -161.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.508 ' HB2' HD23 ' B' ' 98' ' ' LEU . 58.9 m -97.53 -44.66 0.24 Allowed Pre-proline 0 CA--C 1.568 1.665 0 N-CA-C 113.629 0.974 . . . . 50.37 113.629 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' B' ' 102' ' ' CYS . 57.7 Cg_endo -66.49 -9.17 23.15 Favored 'Trans proline' 0 C--N 1.394 2.966 0 C-N-CA 122.435 2.09 . . . . 36.29 114.139 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -50.94 -48.66 60.8 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.244 1.018 . . . . 87.59 112.208 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 19.6 mt -81.65 -18.27 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.117 -0.947 . . . . 37.19 110.92 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.5 -25.62 41.76 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.722 0.409 . . . . 13.07 111.902 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -58.65 -52.15 76.75 Favored Pre-proline 0 CA--C 1.567 1.623 0 CA-C-O 118.004 -0.998 . . . . 99.99 113.497 -177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.79 -38.41 95.83 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 122.202 1.935 . . . . 10.37 113.759 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.81 -39.93 63.74 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.744 -0.662 . . . . 12.29 111.78 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.43 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -64.34 -45.13 89.19 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 110.205 -0.294 . . . . 8.75 110.205 174.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -51.1 -58.02 7.18 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.126 1.371 . . . . 59.14 111.924 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -63.0 -34.95 78.65 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.093 0.957 . . . . 51.9 111.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' B' ' 21' ' ' ILE . 2.5 t -70.43 -27.13 64.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.558 0.343 . . . . 13.3 111.357 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.638 HG21 HG21 ' B' ' 64' ' ' VAL . 59.1 mt -78.66 -55.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 123.348 0.659 . . . . 9.86 109.979 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 59.1 m -54.9 -41.87 71.48 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.568 1.168 . . . . 13.13 112.019 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 39.9 t -64.75 -39.68 94.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.069 -0.969 . . . . 8.02 111.015 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' B' ' 113' ' ' CYS . 23.6 mmt -67.47 -35.26 78.84 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.426 0.29 . . . . 26.78 110.779 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.85 -45.57 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.207 0.603 . . . . 13.3 110.475 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 75.1 p -71.15 -25.81 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.5 -0.773 . . . . 29.79 111.436 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' C' ' 112' ' ' GLU . 88.4 mtt-85 -66.74 -34.68 78.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.141 0.576 . . . . 11.55 110.345 173.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -82.19 8.89 59.49 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 119.308 -0.718 . . . . 16.97 113.745 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.61 HG23 ' HB3' ' A' ' 17' ' ' TYR . 58.9 p 54.69 26.47 7.53 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.814 1.646 . . . . 23.15 112.74 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -87.26 156.79 54.09 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 124.247 1.019 . . . . 23.84 109.627 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.62 117.12 3.74 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.388 2.059 . . . . 29.89 110.171 165.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -64.72 137.6 57.9 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -168.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.511 HD23 ' HZ ' ' B' ' 74' ' ' PHE . 3.8 mm? -110.16 119.5 39.45 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.773 -0.825 . . . . 72.13 108.773 173.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -127.16 137.77 53.01 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.152 -1.055 . . . . 73.04 108.152 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.86 107.5 9.24 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 108.249 -1.019 . . . . 90.81 108.249 168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.495 ' HB2' ' HG2' ' E' ' 304' ' ' PRO . . . -51.86 144.07 20.71 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-O 118.029 -0.986 . . . . 43.15 110.09 175.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.602 ' HG2' ' HB ' ' D' ' 16' ' ' ILE . 55.0 Cg_exo -43.51 95.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.24 2.627 . . . . 61.27 114.437 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.19 109.85 20.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.721 -1.214 . . . . 99.57 107.721 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' B' ' 135' ' ' ALA . 4.0 p-10 -83.42 70.69 10.25 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.219 1.009 . . . . 99.99 108.301 173.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -68.67 -39.78 80.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.483 -1.235 . . . . 99.99 110.993 -172.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.657 ' HB2' ' HA ' ' E' ' 66' ' ' ASN . 7.8 p-10 -69.16 -42.88 75.33 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.202 1.001 . . . . 99.99 110.396 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' B' ' 132' ' ' ASN . . . -73.45 -23.61 60.11 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.578 0.751 . . . . 99.99 111.701 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.402 HD13 HD21 ' E' ' 10' ' ' LEU . 10.5 tt -58.2 -44.51 88.12 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.054 0.942 . . . . 99.99 109.401 173.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -76.43 -34.78 58.77 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 114.718 -1.128 . . . . 99.99 111.636 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 36.0 ttm -61.4 -39.04 89.27 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.716 0.806 . . . . 99.99 111.281 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . 0.681 ' HB3' ' H ' ' E' ' 78' ' ' SER . 12.8 m120 -75.02 -7.54 53.96 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.444 -0.798 . . . . 99.99 111.876 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -90.37 -33.72 15.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.635 0.374 . . . . 99.99 111.413 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.14 28.46 8.04 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.96 0.504 . . . . 99.99 111.404 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.22 -87.7 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 124.388 1.075 . . . . 99.99 112.721 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -163.7 -171.83 2.66 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.222 1.409 . . . . 99.99 109.151 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 75.54 148.09 0.1 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.791 1.636 . . . . 99.99 111.524 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.02 -65.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.622 1.569 . . . . 99.99 111.398 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -70.15 89.9 0.34 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.312 -0.404 . . . . 99.99 112.382 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.25 -179.88 5.33 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.409 0.684 . . . . 99.99 110.542 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -162.19 -145.6 4.38 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 116.379 -0.373 . . . . 99.99 112.695 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 11.3 t -74.9 -20.36 59.75 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.636 0.774 . . . . 99.99 111.065 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.33 129.62 48.82 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.87 0.868 . . . . 99.99 109.812 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -67.52 -42.98 81.89 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.124 0.969 . . . . 99.99 112.208 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 63.3 m80 64.22 73.56 0.43 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.613 1.165 . . . . 99.99 109.923 -170.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -90.14 17.9 6.51 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.699 0.799 . . . . 99.99 110.642 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.91 87.47 4.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 99.99 108.836 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.516 -0.754 . . . . 99.99 108.972 -176.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.417 0.151 . . . . 99.99 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -117.51 -162.15 0.85 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.195 0.998 . . . . 99.99 109.343 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.83 128.92 38.39 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -69.04 -70.35 0.28 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.324 0.65 . . . . 99.99 110.841 -175.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 64.01 153.04 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.0 1.32 . . . . 99.99 112.77 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . 0.695 ' HB2' HE21 ' C' ' 93' ' ' GLN . 60.4 t30 -135.39 162.06 33.67 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.039 0.936 . . . . 99.99 108.604 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.509 HG23 ' H ' ' C' ' 8' ' ' GLU . 6.4 t -130.7 -69.74 0.64 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.09 0.556 . . . . 99.99 109.952 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.509 ' H ' HG23 ' C' ' 7' ' ' THR . 8.5 mp0 -117.72 -71.37 0.74 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.754 -0.832 . . . . 99.99 108.754 172.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.627 ' HG3' ' HA3' ' C' ' 88' ' ' GLY . 49.4 ttm 64.59 116.81 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.784 1.634 . . . . 99.99 111.496 -172.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 61.4 m -84.34 105.78 15.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.189 0.996 . . . . 99.99 109.485 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.424 ' CZ ' ' SG ' ' C' ' 102' ' ' CYS . 10.9 t80 -125.58 131.45 52.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.79 0.836 . . . . 99.99 109.961 -177.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.731 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 29.4 tt0 -138.54 126.88 23.02 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.351 1.061 . . . . 99.99 108.944 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.521 ' N ' HD12 ' C' ' 13' ' ' ILE . 1.8 mp -99.67 123.04 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 107.748 -1.205 . . . . 56.3 107.748 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -98.17 -47.45 5.47 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.324 0.49 . . . . 93.16 112.324 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 159.49 8.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.734 0.414 . . . . 99.99 110.407 172.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 42.9 mt -126.89 137.85 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.1 -1.074 . . . . 11.74 108.1 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.444 ' HE1' HG12 ' C' ' 83' ' ' ILE . 26.2 p90 -171.72 167.18 6.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.228 0.537 . . . . 19.28 110.85 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -86.51 115.05 23.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.653 -0.703 . . . . 6.91 109.528 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 11.0 mmmm -67.62 -45.13 76.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.843 -0.799 . . . . 21.95 108.843 170.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 22.6 t70 -142.86 147.87 36.09 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.409 -1.269 . . . . 50.62 109.953 -174.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' C' ' 113' ' ' CYS . 59.7 mt -140.17 146.02 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.135 1.374 . . . . 5.12 107.516 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -160.32 153.15 21.3 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.58 0.705 . . . . 9.28 110.437 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -145.53 137.58 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.871 -1.529 . . . . 8.82 106.871 171.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -135.15 128.98 33.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.056 -0.72 . . . . 30.58 109.056 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.45 82.61 56.86 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 108.159 -1.052 . . . . 12.04 108.159 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.93 -21.51 20.91 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.443 2.095 . . . . 30.41 112.045 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -107.95 27.31 9.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.731 0.813 . . . . 61.38 109.856 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.573 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.47 -41.51 89.57 Favored Pre-proline 0 CA--C 1.563 1.477 0 N-CA-C 114.964 1.468 . . . . 26.66 114.964 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.66 -44.17 1.11 Allowed 'Trans proline' 0 C--N 1.382 2.294 0 CA-C-N 121.442 1.551 . . . . 35.22 111.72 170.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -68.7 -26.46 65.3 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.442 1.497 . . . . 48.75 113.155 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 11.5 p -60.81 -25.62 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.387 1.075 . . . . 55.24 112.651 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' E' ' 303' ' ' LYS . 44.5 t80 -66.24 -28.28 68.61 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.477 0.711 . . . . 99.99 112.373 -175.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -111.91 48.91 0.93 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.573 0.701 . . . . 97.11 110.309 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' C' ' 73' ' ' ALA . 17.9 ttmm -114.7 162.37 16.9 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.941 -0.572 . . . . 88.6 111.517 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.57 129.79 36.95 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.01 -0.737 . . . . 99.99 109.01 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -87.35 76.59 9.08 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.454 0.702 . . . . 99.99 111.073 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' C' ' 68' ' ' LEU . 9.0 tt0 -162.67 74.87 2.07 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.178 0.591 . . . . 99.99 110.048 174.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -88.51 152.86 6.44 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 122.487 2.125 . . . . 68.93 112.098 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.568 ' HB3' ' HE3' ' C' ' 41' ' ' LYS . 37.8 mt-10 -88.6 99.05 12.02 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.311 -0.859 . . . . 99.99 108.692 176.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.39 99.12 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.901 -0.778 . . . . 87.15 108.901 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' C' ' 39' ' ' GLU . 92.4 mttt -124.17 110.87 15.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.076 0.95 . . . . 99.99 108.817 -175.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.713 HD13 HD11 ' C' ' 128' ' ' LEU . 1.9 pt? -85.72 141.62 29.59 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.946 -1.131 . . . . 94.05 107.946 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.19 112.36 17.59 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.922 -1.14 . . . . 99.99 107.922 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' E' ' 287' ' ' PRO . 3.5 mp -92.84 126.02 37.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.441 0.697 . . . . 71.87 109.603 -172.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.8 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 2.6 t70 -113.28 148.99 34.53 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.882 -1.155 . . . . 92.17 107.882 169.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 39.8 p -132.79 134.55 44.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.933 0.493 . . . . 62.96 110.863 -170.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.5 154.51 42.98 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.707 0.803 . . . . 35.73 110.388 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.464 ' HB2' HH22 ' E' ' 440' ' ' ARG . 22.8 m -150.06 143.47 25.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.115 0.966 . . . . 56.22 110.144 -176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -159.85 148.09 17.18 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.591 0.756 . . . . 43.42 110.434 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.5 148.47 27.21 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.059 0.544 . . . . 99.99 109.76 175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' C' ' 57' ' ' GLU . 34.5 mt -122.86 -42.2 2.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.905 0.882 . . . . 61.44 109.777 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -154.77 -167.16 2.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.538 0.735 . . . . 94.06 110.621 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -68.13 111.1 4.29 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.015 0.926 . . . . 99.99 110.793 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 72.35 -4.8 1.94 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.761 2.025 . . . . 99.99 111.989 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' C' ' 85' ' ' SER . 61.5 t -94.15 110.38 23.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.157 0.503 . . . . 81.86 110.034 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.98 168.01 9.59 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.027 -1.471 . . . . 99.99 107.027 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' C' ' 51' ' ' LEU . 43.6 tt0 -125.84 123.16 38.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.857 0.463 . . . . 35.21 109.959 176.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -99.19 115.0 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.329 1.052 . . . . 29.6 108.633 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -124.3 135.7 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 109.416 -0.587 . . . . 20.9 109.416 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.62 139.69 50.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.28 0.632 . . . . 69.19 110.717 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 11.7 ttm180 -94.38 112.97 24.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.536 1.135 . . . . 99.99 109.686 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' C' ' 114' ' ' ILE . 40.0 t -99.64 103.62 14.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 107.014 -1.476 . . . . 14.53 107.014 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 28.9 m -105.32 108.12 19.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.248 -0.649 . . . . 20.42 109.248 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.437 HG23 HD13 ' C' ' 114' ' ' ILE . 90.1 t -98.5 112.85 31.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.919 -0.771 . . . . 17.7 108.919 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -99.49 145.67 27.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.46 -1.245 . . . . 29.53 109.041 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.99 101.17 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.535 -1.283 . . . . 32.22 107.535 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -147.37 135.13 21.12 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.259 -0.645 . . . . 59.66 109.259 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' C' ' 37' ' ' GLN . 0.1 OUTLIER -87.89 55.05 3.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 109.21 -0.663 . . . . 97.29 109.21 177.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.0 -109.09 3.09 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 110.628 -0.989 . . . . 76.35 110.628 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -93.42 -27.02 16.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.354 0.662 . . . . 99.99 110.191 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.85 100.63 4.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.657 0.783 . . . . 77.02 110.32 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -78.49 131.25 36.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.244 0.618 . . . . 37.0 111.292 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.67 ' HA ' ' HE3' ' C' ' 34' ' ' LYS . . . -85.25 -55.33 4.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.428 1.091 . . . . 34.06 109.551 170.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -166.47 171.9 11.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.604 0.761 . . . . 39.96 111.334 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -143.56 143.68 31.61 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 107.643 -1.243 . . . . 16.54 107.643 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.6 t -142.12 152.11 42.92 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.27 -1.011 . . . . 10.97 108.27 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -151.7 118.63 5.83 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.153 0.581 . . . . 36.61 109.545 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.39 130.42 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 109.249 -0.649 . . . . 9.25 109.249 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.804 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 50.4 mt-30 -101.69 95.21 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.303 -0.999 . . . . 25.23 108.303 172.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.16 119.78 25.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.508 -1.224 . . . . 10.64 110.069 -175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.07 158.67 22.49 Favored Glycine 0 C--N 1.339 0.706 0 O-C-N 123.842 0.713 . . . . 10.6 111.999 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.79 117.48 0.79 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.769 -1.333 . . . . 19.17 109.769 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' C' ' 51' ' ' LEU . 15.7 mm -82.61 122.38 37.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 109.118 -0.697 . . . . 30.38 109.118 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -139.58 121.68 15.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.782 0.676 . . . . 49.62 109.393 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.731 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 3.6 m -82.99 109.44 17.09 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.375 0.67 . . . . 92.15 109.858 171.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.04 125.67 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 108.049 -1.093 . . . . 99.99 108.049 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.81 -8.37 10.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.438 0.695 . . . . 99.99 110.354 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.627 ' HA3' ' HG3' ' C' ' 9' ' ' MET . . . -72.67 83.09 0.58 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 123.511 0.507 . . . . 99.99 112.653 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 35.5 mm -77.36 129.04 37.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 C-N-CA 123.681 0.793 . . . . 99.99 109.769 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.508 ' HB3' ' H ' ' C' ' 94' ' ' MET . 0.9 OUTLIER -147.35 -33.07 0.28 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 122.816 0.447 . . . . 99.99 110.025 -177.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.02 -106.92 3.47 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 110.638 -0.985 . . . . 99.99 110.638 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -59.39 -49.77 76.52 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.682 0.793 . . . . 99.99 112.57 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.695 HE21 ' HB2' ' C' ' 6' ' ' ASN . 9.3 tp60 -73.81 -32.0 63.52 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.232 0.213 . . . . 99.99 111.125 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' C' ' 90' ' ' GLU . 24.7 ttt -55.82 -45.73 78.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.546 0.338 . . . . 99.99 110.108 170.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.77 -23.96 60.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.735 1.214 . . . . 99.99 111.764 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -66.96 -52.69 39.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.337 0.655 . . . . 99.99 110.31 173.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 66.2 m -70.81 -36.5 72.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.821 -0.627 . . . . 99.99 111.524 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.06 -41.04 26.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.346 1.059 . . . . 99.99 110.115 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.76 -1.5 56.32 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.287 -0.729 . . . . 68.51 114.452 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.98 -60.03 0.74 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.899 0.85 . . . . 56.52 111.473 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.66 -43.15 97.98 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.225 0.61 . . . . 99.99 112.568 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.475 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 57.2 m -68.47 -49.23 31.81 Favored Pre-proline 0 CA--C 1.565 1.552 0 CA-C-O 118.977 -0.535 . . . . 56.59 111.608 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 53.1 Cg_exo -48.83 -42.21 37.61 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.943 2.428 . . . . 39.21 114.955 168.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.64 -24.97 68.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.26 0.624 . . . . 71.72 112.065 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.454 HD11 HD21 ' E' ' 142' ' ' LEU . 25.7 mm -78.87 -48.89 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.187 0.595 . . . . 8.71 111.446 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.74 -7.76 58.83 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.467 -0.333 . . . . 37.06 111.226 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.91 -49.72 92.12 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 124.643 1.177 . . . . 16.74 114.028 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.39 -30.77 89.11 Favored 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 121.908 1.739 . . . . 9.85 113.357 175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.475 ' HE2' HG21 ' A' ' 115' ' ' THR . 52.5 m-85 -68.56 -40.04 80.77 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.331 0.652 . . . . 5.88 110.317 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.706 -0.679 . . . . 7.64 110.123 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -56.03 -54.14 48.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.664 1.185 . . . . 20.64 111.764 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.411 ' HG3' ' NH2' ' B' ' 120' ' ' ARG . 1.7 tm-20 -70.03 -30.96 68.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.244 0.34 . . . . 38.86 110.799 -176.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' C' ' 21' ' ' ILE . 12.5 t -67.36 -26.72 66.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.632 0.373 . . . . 13.9 111.15 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.437 HD13 HG23 ' C' ' 64' ' ' VAL . 79.3 mt -82.58 -43.15 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.584 1.154 . . . . 8.58 110.476 173.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 45.1 m -66.31 -32.53 73.99 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.645 0.778 . . . . 8.54 111.304 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -36.19 73.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.419 -0.81 . . . . 6.56 109.637 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -29.5 68.12 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.409 0.684 . . . . 5.22 111.384 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.409 HG23 ' O ' ' C' ' 114' ' ' ILE . 92.6 t -69.63 -39.73 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 123.021 0.528 . . . . 28.53 110.592 174.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 87.2 p -72.71 -35.53 67.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.021 0.529 . . . . 17.6 111.559 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -67.83 -39.06 83.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.531 0.732 . . . . 7.72 110.161 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -74.53 -5.9 74.73 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.744 -0.662 . . . . 10.8 113.122 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 34.2 p 63.21 29.84 15.94 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.394 1.878 . . . . 15.17 112.84 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' C' ' 31' ' ' VAL . 79.6 m-85 -93.91 153.84 40.88 Favored Pre-proline 0 N--CA 1.481 1.122 0 C-N-CA 124.55 1.14 . . . . 24.81 110.508 175.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.1 146.42 4.45 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 124.13 3.22 . . . . 29.42 114.962 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.427 ' O ' HG23 ' E' ' 296' ' ' THR . 0.3 OUTLIER -58.56 113.65 2.1 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.814 1.645 . . . . 72.03 112.309 -169.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.435 HD13 HG21 ' E' ' 296' ' ' THR . 46.9 tp -119.31 106.89 12.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.615 0.766 . . . . 59.85 111.369 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -93.78 132.53 38.08 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.01 -0.737 . . . . 41.85 109.01 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.713 HD11 HD13 ' C' ' 42' ' ' LEU . 0.7 OUTLIER -70.66 137.78 50.16 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 108.575 -0.898 . . . . 38.57 108.575 173.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' C' ' 130' ' ' PRO . . . -66.21 138.4 96.01 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.584 0.754 . . . . 24.62 111.335 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' C' ' 129' ' ' ALA . 8.0 Cg_exo -71.98 99.35 0.97 Allowed 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.996 2.464 . . . . 24.48 112.328 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.12 117.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.493 0.717 . . . . 68.05 110.66 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -113.09 90.67 3.41 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.649 -0.871 . . . . 99.99 108.649 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . 0.554 ' HA ' HD23 ' C' ' 136' ' ' LEU . 13.0 p90 -82.86 -1.9 53.26 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.561 0.948 . . . . 99.99 113.561 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.94 -43.43 73.37 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.511 0.724 . . . . 99.99 111.862 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.43 83.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.657 0.783 . . . . 99.99 111.724 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' C' ' 133' ' ' PHE . 3.8 mm? -67.4 -21.2 65.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.08 0.952 . . . . 99.99 112.167 -175.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . 0.422 ' HD2' ' SD ' ' E' ' 286' ' ' MET . 58.4 t80 -68.15 -35.55 78.27 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.316 0.647 . . . . 99.99 110.957 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.6 -42.43 22.25 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.437 0.695 . . . . 99.99 110.566 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -56.15 -30.91 62.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.64 1.576 . . . . 99.99 113.625 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -154.04 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.28 0 C-N-CA 124.779 1.232 . . . . 99.99 113.702 -171.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 72.57 -67.51 0.26 Allowed 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.768 1.627 . . . . 99.99 109.793 173.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.59 -34.01 77.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.909 0.883 . . . . 99.99 110.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 76.67 -52.57 0.58 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.668 1.587 . . . . 99.99 111.372 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 72.46 -72.84 0.11 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.557 1.543 . . . . 99.99 110.363 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.85 138.74 25.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.745 0.818 . . . . 99.99 108.994 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -158.02 26.55 0.44 Allowed Glycine 0 C--N 1.338 0.663 0 N-CA-C 111.866 -0.494 . . . . 99.99 111.866 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.1 134.86 38.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.237 0.615 . . . . 99.99 109.682 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.96 42.11 0.59 Allowed Glycine 0 C--N 1.337 0.639 0 N-CA-C 111.326 -0.709 . . . . 99.99 111.326 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 15.3 t -72.72 135.53 45.37 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.153 0.581 . . . . 99.99 109.877 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 66.49 144.92 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.259 1.424 . . . . 99.99 110.864 -170.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.05 -35.2 0.71 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.315 0.646 . . . . 99.99 109.752 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 70.4 t60 70.81 -3.58 1.94 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.758 1.223 . . . . 99.99 112.25 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -88.6 83.61 6.77 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.532 1.133 . . . . 99.99 108.335 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -78.77 -64.47 1.17 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.824 0.85 . . . . 99.99 111.226 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 C-N-CA 123.462 0.705 . . . . 99.99 109.187 177.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.686 -0.487 . . . . 99.99 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t 60.95 -104.14 0.17 Allowed 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 118.057 -0.973 . . . . 99.99 108.509 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 37.0 45.72 0.46 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 126.039 1.736 . . . . 99.99 114.553 163.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 57.75 71.5 0.57 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.469 1.108 . . . . 99.99 111.845 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 63.62 36.24 11.05 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.014 0.925 . . . . 99.99 112.259 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.69 80.29 2.04 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.654 0.782 . . . . 99.99 110.871 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -159.01 177.51 11.05 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.15 1.78 . . . . 99.99 108.133 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 64.99 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.666 1.186 . . . . 99.99 110.379 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 25.6 ttt -32.19 124.74 0.3 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.031 1.332 . . . . 99.99 113.792 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . 0.42 HG23 ' HA ' ' E' ' 81' ' ' THR . 86.9 m -102.7 122.44 44.45 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.978 -1.49 . . . . 99.99 106.978 174.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.52 ' HD2' HG22 ' D' ' 86' ' ' ILE . 66.3 t80 -132.15 126.1 32.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.325 -0.991 . . . . 76.43 108.325 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -141.83 148.21 38.48 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.578 1.151 . . . . 99.99 108.262 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.571 HG21 HD11 ' D' ' 16' ' ' ILE . 17.5 mt -103.06 137.76 30.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.561 -0.903 . . . . 41.34 108.561 175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -97.61 -38.59 9.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.306 0.642 . . . . 79.46 110.95 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.402 HH22 HG22 ' E' ' 301' ' ' ILE . 52.5 ttt85 -170.17 140.87 2.0 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 123.15 0.282 . . . . 99.99 111.114 -173.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.602 ' HB ' ' HG2' ' B' ' 130' ' ' PRO . 4.0 mp -125.28 131.9 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.357 -1.349 . . . . 53.22 107.357 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.564 ' HE2' ' HB1' ' C' ' 28' ' ' ALA . 12.4 p90 -165.56 146.23 6.96 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.938 0.895 . . . . 19.87 110.14 -173.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -76.3 115.58 16.17 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.555 -0.535 . . . . 8.43 109.555 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 41.2 mtpt -77.77 -25.38 49.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.517 0.327 . . . . 36.9 110.565 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 21.8 t70 -158.48 150.68 21.67 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.904 0.882 . . . . 36.68 109.439 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.32 155.53 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.055 1.342 . . . . 4.02 107.789 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.6 t -160.4 146.06 15.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.814 0.846 . . . . 7.64 110.296 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 88.0 t80 -153.25 116.74 4.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 106.547 -1.649 . . . . 5.08 106.547 171.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 39.9 mt-10 -121.41 113.48 19.93 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.672 0.389 . . . . 28.73 110.351 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -121.19 85.72 41.99 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 108.151 -1.055 . . . . 7.19 108.151 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.22 -44.05 1.3 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.321 2.014 . . . . 13.41 111.221 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -91.7 14.31 15.6 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.742 1.217 . . . . 11.97 110.012 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.641 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -37.87 -64.28 0.45 Allowed Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 126.178 1.791 . . . . 12.01 114.631 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' CD2' ' D' ' 32' ' ' PHE . 73.4 Cg_endo -75.6 -13.65 20.13 Favored 'Trans proline' 0 C--N 1.385 2.45 0 CA-C-N 121.995 1.748 . . . . 20.55 113.089 -172.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . 0.437 ' HE1' ' HB3' ' E' ' 429' ' ' GLU . 9.5 t-160 -77.03 -48.26 18.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.479 1.112 . . . . 22.26 110.365 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.16 -4.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.193 0.812 . . . . 34.6 113.193 -171.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 23.1 m-30 -68.98 -14.01 62.79 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 122.421 0.289 . . . . 32.96 111.743 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.83 -10.53 59.59 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.74 0.816 . . . . 99.99 111.441 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -108.05 106.68 17.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.207 1.003 . . . . 31.63 109.965 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.73 93.74 4.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.745 0.818 . . . . 99.99 109.507 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 19.0 p90 -163.8 -177.62 5.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.489 1.116 . . . . 49.29 108.861 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.47 113.34 16.27 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 123.542 0.526 . . . . 99.99 109.851 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -72.42 155.57 55.27 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.29 1.993 . . . . 31.29 110.512 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 40.6 mt-10 -61.78 112.92 2.47 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.273 -1.01 . . . . 99.99 108.273 169.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.42 HG11 HD11 ' D' ' 126' ' ' LEU . 84.6 t -96.36 105.66 17.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 106.315 -1.735 . . . . 52.79 106.315 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' E' ' 116' ' ' GLY . 37.4 ttmt -129.14 108.83 10.67 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.41 -1.33 . . . . 99.99 107.41 -166.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.663 HD21 HG13 ' D' ' 62' ' ' VAL . 2.7 tt -98.35 130.17 45.01 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.785 -0.82 . . . . 74.77 108.785 -169.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.699 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 2.5 m-20 -106.08 113.56 27.16 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.731 -1.581 . . . . 99.99 106.731 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.452 HD23 HD22 ' E' ' 111' ' ' LEU . 4.5 mp -96.33 132.15 42.11 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.26 -0.644 . . . . 66.01 109.26 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.401 ' HA ' ' HB1' ' E' ' 110' ' ' ALA . 45.9 t0 -148.41 153.31 38.37 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.928 0.767 . . . . 79.72 109.921 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 29.1 m -138.67 146.25 41.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.561 0.744 . . . . 77.52 110.274 -175.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.66 150.8 33.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.613 1.165 . . . . 38.8 108.435 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.434 ' HB3' HD11 ' D' ' 98' ' ' LEU . 56.6 p -158.25 163.98 36.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.307 0.575 . . . . 48.36 111.835 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -150.92 117.91 5.89 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.445 -0.946 . . . . 52.73 108.445 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.22 126.55 35.21 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 107.192 -1.41 . . . . 99.71 107.192 168.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.66 34.23 0.69 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.816 -1.084 . . . . 82.32 109.439 -165.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.89 -157.31 0.35 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.398 -1.273 . . . . 96.95 109.194 -172.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -135.06 141.66 46.15 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 106.367 -1.716 . . . . 99.99 106.367 161.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 70.97 -0.56 3.0 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.784 1.233 . . . . 99.99 112.155 -172.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' D' ' 85' ' ' SER . 96.5 t -141.9 133.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.243 0.474 . . . . 82.8 110.349 -168.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.02 153.14 47.1 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 123.947 0.779 . . . . 99.99 108.951 164.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.12 123.52 32.87 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.467 1.107 . . . . 55.89 108.483 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.738 HG22 HD12 ' D' ' 98' ' ' LEU . 19.3 t -105.98 111.37 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 108.207 -1.035 . . . . 44.56 108.207 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -108.36 103.24 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.242 -1.021 . . . . 19.48 108.242 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -93.16 123.77 36.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.684 -1.228 . . . . 52.2 107.684 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -106.69 105.29 15.25 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.597 0.759 . . . . 99.99 109.587 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.663 HG13 HD21 ' D' ' 42' ' ' LEU . 65.4 t -91.4 131.26 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.766 -1.198 . . . . 9.25 107.766 170.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 8.5 m -126.35 146.99 49.82 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.5 -0.926 . . . . 10.79 108.5 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 76' ' ' CYS . 47.6 t -136.67 106.67 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.312 1.045 . . . . 9.72 108.715 -171.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' D' ' 41' ' ' LYS . 49.9 m -103.92 95.6 6.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.372 0.669 . . . . 19.36 109.321 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -97.01 149.03 22.37 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.122 -0.49 . . . . 11.33 110.642 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.554 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 50.6 m -145.93 132.94 20.26 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.29 0.567 . . . . 29.87 111.923 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.79 102.17 13.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 107.828 -1.175 . . . . 24.97 107.828 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.44 -130.39 10.02 Favored Glycine 0 C--N 1.346 1.139 0 O-C-N 123.609 0.568 . . . . 27.84 112.091 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' E' ' 424' ' ' TYR . 17.0 pt-20 -98.55 12.06 36.4 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.305 0.553 . . . . 76.3 110.721 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' E' ' 429' ' ' GLU . 3.8 tp10 -117.83 142.53 47.2 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.947 0.899 . . . . 81.89 110.443 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 65.6 m -65.34 123.58 19.96 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.559 0.743 . . . . 11.35 110.902 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -81.19 -75.44 0.28 Allowed 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.18 -1.045 . . . . 10.67 108.18 176.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.51 153.6 43.76 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.338 0.589 . . . . 7.73 110.643 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 51.5 mt -115.82 152.99 32.28 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 107.265 -1.383 . . . . 11.05 107.265 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.65 ' SG ' HG12 ' D' ' 114' ' ' ILE . 42.2 t -157.99 147.09 19.47 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.205 -0.665 . . . . 12.97 109.205 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -154.85 131.68 10.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.275 -0.639 . . . . 47.96 109.275 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.15 135.41 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.955 -0.757 . . . . 5.05 108.955 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.1 mt-30 -111.23 85.23 2.08 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 21.68 108.551 174.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.441 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.1 tp-100 -82.07 108.05 15.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.175 -1.375 . . . . 8.01 107.587 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.37 146.71 16.49 Favored Glycine 0 C--N 1.338 0.659 0 O-C-N 123.569 0.543 . . . . 11.29 112.226 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.95 137.86 7.94 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.857 -0.497 . . . . 22.6 111.857 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.72 106.24 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 107.833 -1.173 . . . . 43.57 107.833 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.65 127.48 56.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.315 0.646 . . . . 45.01 110.112 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.408 ' HA ' HG22 ' D' ' 55' ' ' VAL . 32.8 p -97.37 124.21 41.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.413 0.685 . . . . 77.58 109.701 175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.535 HG12 HD11 ' E' ' 97' ' ' ILE . 0.2 OUTLIER -132.03 143.31 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.871 1.268 . . . . 88.57 109.349 -175.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . 0.489 ' HB1' ' HA3' ' E' ' 96' ' ' GLY . . . -162.29 168.47 22.23 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.721 0.808 . . . . 99.99 110.718 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.26 23.23 63.6 Favored Glycine 0 N--CA 1.483 1.806 0 O-C-N 123.28 0.363 . . . . 99.99 113.448 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' D' ' 94' ' ' MET . 4.2 pt -135.85 154.2 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.25 1.42 . . . . 99.99 109.043 -171.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -133.93 145.85 49.96 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.27 0.486 . . . . 99.99 110.921 -174.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.36 -118.84 11.17 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 124.598 1.186 . . . . 99.99 115.288 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 7.8 t -70.09 -38.65 75.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.172 0.589 . . . . 99.99 110.401 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.85 -24.74 64.45 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 99.99 110.823 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.505 ' HA ' HD12 ' D' ' 89' ' ' ILE . 61.0 ttp -76.71 -64.1 1.2 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.334 1.053 . . . . 99.99 112.204 -176.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' E' ' 102' ' ' LEU . . . -84.91 -10.04 57.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.518 0.727 . . . . 88.9 112.479 -171.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.96 -32.96 61.9 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.389 1.076 . . . . 99.99 111.925 171.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 102' ' ' CYS . 53.3 t -57.17 -24.02 51.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.344 0.658 . . . . 95.17 112.448 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.738 HD12 HG22 ' D' ' 58' ' ' VAL . 11.4 tp -62.67 -50.24 71.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.552 0.741 . . . . 99.99 111.599 178.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.45 1.99 73.4 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.838 -0.619 . . . . 66.02 112.689 -175.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' D' ' 134' ' ' ASP . . . -120.62 -82.34 0.65 Allowed 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.622 0.601 . . . . 54.11 112.622 -171.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.67 -42.22 42.64 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.793 0.33 . . . . 40.76 111.664 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' D' ' 97' ' ' CYS . 80.1 m -62.66 -48.31 86.24 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 114.427 1.269 . . . . 34.31 114.427 -174.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' D' ' 98' ' ' LEU . 96.1 Cg_endo -74.12 -20.54 18.99 Favored 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 121.846 1.697 . . . . 28.69 112.34 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.01 -31.55 71.94 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.682 0.793 . . . . 61.29 110.839 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.81 -38.26 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.966 0.907 . . . . 19.65 110.616 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 80' ' ' GLN . 77.6 mt -76.71 -30.84 56.84 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.653 0.781 . . . . 13.09 112.361 -171.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -61.94 -43.08 85.78 Favored Pre-proline 0 N--CA 1.487 1.402 0 N-CA-C 114.629 1.344 . . . . 10.47 114.629 -172.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -52.06 -34.99 59.93 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 121.982 1.788 . . . . 6.22 114.326 174.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.18 -27.12 18.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.653 0.781 . . . . 10.48 111.33 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.15 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.301 -0.629 . . . . 4.16 109.301 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.494 HH12 ' HG3' ' D' ' 130' ' ' PRO . 30.6 ttp180 -59.83 -50.71 72.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.598 -1.183 . . . . 10.22 110.893 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.162 0.913 . . . . 32.24 110.669 -177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.17 -42.89 91.87 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.894 0.746 . . . . 3.39 110.953 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.65 HG12 ' SG ' ' D' ' 76' ' ' CYS . 87.3 mt -60.95 -53.99 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.378 0.671 . . . . 5.37 110.687 174.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 24.9 m -56.39 -42.37 77.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.211 0.944 . . . . 7.06 111.314 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 33.8 t -67.15 -32.29 73.29 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.613 -1.176 . . . . 6.71 111.18 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . . . . . . . . . 71.8 mtm -80.11 -34.93 37.5 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.116 0.566 . . . . 5.08 111.704 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.453 HG23 ' O ' ' D' ' 114' ' ' ILE . 94.5 t -64.09 -42.21 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.532 0.733 . . . . 5.65 110.238 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 89.3 p -66.4 -36.47 82.92 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.412 -0.813 . . . . 10.21 110.563 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' D' ' 116' ' ' SER . 49.1 mtt-85 -68.79 -29.84 68.28 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.582 0.753 . . . . 6.99 110.7 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.13 -4.68 88.97 Favored Glycine 0 C--N 1.35 1.347 0 CA-C-O 119.152 -0.804 . . . . 7.43 113.287 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 10.3 m 67.59 42.65 2.03 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.984 1.313 . . . . 18.26 110.231 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -119.85 152.49 53.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 CA-C-N 114.916 -1.038 . . . . 10.7 110.09 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.39 124.85 13.91 Favored 'Trans proline' 0 C--N 1.385 2.498 0 C-N-CA 123.043 2.495 . . . . 20.06 113.24 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -44.12 125.48 4.47 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.588 1.18 . . . . 16.85 111.15 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.42 HD11 HG11 ' D' ' 40' ' ' VAL . 32.2 tp -115.72 105.93 13.3 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.594 0.235 . . . . 14.84 110.745 -174.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -99.53 104.24 16.04 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.883 -1.154 . . . . 76.73 107.883 174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.439 HD11 HD12 ' D' ' 114' ' ' ILE . 81.2 mt -67.05 128.83 37.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.369 0.668 . . . . 20.32 110.942 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' D' ' 130' ' ' PRO . . . -63.48 128.18 92.25 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 123.137 0.575 . . . . 28.37 111.137 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.494 ' HG3' HH12 ' D' ' 111' ' ' ARG . 24.0 Cg_exo -63.52 132.88 37.34 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.713 2.275 . . . . 32.68 112.248 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.05 143.97 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.405 0.682 . . . . 69.78 109.932 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . 0.671 ' HB2' ' HB2' ' E' ' 70' ' ' LEU . 60.2 t30 -77.77 117.64 19.34 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.06 -0.718 . . . . 99.99 109.06 173.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.94 0.775 . . . . 99.99 111.245 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' D' ' 100' ' ' ALA . 28.6 t0 -62.41 -28.04 69.51 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-N 115.118 -0.946 . . . . 99.99 112.241 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.03 64.33 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.102 0.41 . . . . 99.99 111.223 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.419 HD23 HD23 ' E' ' 111' ' ' LEU . 2.2 mm? -85.23 -42.06 15.03 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.536 0.734 . . . . 99.99 110.429 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' D' ' 134' ' ' ASP . 48.1 m-85 -65.73 -59.52 3.82 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.228 0.611 . . . . 99.99 112.28 -177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 20.0 ptp -45.68 -37.24 5.56 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 124.521 1.128 . . . . 99.99 112.614 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.57 -50.48 62.98 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.735 0.814 . . . . 99.99 110.433 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.526 ' HD1' ' HB2' ' D' ' 150' ' ' GLU . 48.4 t80 -64.85 -52.74 55.03 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.594 0.559 . . . . 99.99 110.836 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.56 -36.84 72.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.595 1.158 . . . . 99.99 113.484 -170.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.75 -0.23 20.23 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 112.86 0.689 . . . . 99.99 112.86 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -139.53 95.29 2.9 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.911 0.862 . . . . 99.99 109.524 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -136.92 166.75 22.91 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.788 0.835 . . . . 99.99 109.646 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 72.38 17.12 4.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.348 1.459 . . . . 99.99 111.156 -171.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -143.96 101.15 0.25 Allowed Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.258 -0.737 . . . . 99.99 111.258 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 65.17 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.415 1.486 . . . . 99.99 112.739 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.9 173.02 12.8 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 112.125 -0.39 . . . . 99.99 112.125 -174.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . 0.45 HG22 ' HG3' ' D' ' 151' ' ' GLU . 26.1 m 71.77 -66.5 0.3 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.955 1.302 . . . . 99.99 110.16 -172.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . 0.526 ' HB2' ' HD1' ' D' ' 140' ' ' TYR . 34.8 mm-40 55.03 24.49 6.04 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.005 1.483 . . . . 99.99 115.005 165.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' D' ' 149' ' ' THR . 0.0 OUTLIER -59.29 -38.4 80.1 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.536 0.607 . . . . 99.99 110.106 174.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -176.79 -15.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 99.99 109.574 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 65.51 18.41 11.26 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.175 1.39 . . . . 99.99 111.255 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.7 -80.99 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.937 0.895 . . . . 99.99 109.979 -175.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.519 0.727 . . . . 99.99 109.305 -177.121 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.362 0.125 . . . . 99.99 111.087 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.476 ' HD3' ' HG3' ' E' ' 3' ' ' GLN . 1.7 tmtp? -146.52 111.23 5.24 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.603 -1.628 . . . . 99.99 106.603 169.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.476 ' HG3' ' HD3' ' E' ' 2' ' ' LYS . 98.7 mt-30 63.37 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.168 1.387 . . . . 99.99 112.723 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -170.81 83.13 0.09 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.184 1.394 . . . . 99.99 108.004 171.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 37.6 m -70.03 89.42 0.61 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.573 0.749 . . . . 99.99 109.428 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' E' ' 304' ' ' PRO . 1.4 tp 76.06 136.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 126.326 1.85 . . . . 99.99 109.231 -165.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.8 -81.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 99.99 109.374 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 57.11 99.27 0.02 OUTLIER 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.8 1.24 . . . . 99.99 109.832 -170.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 131.77 49.5 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.156 -0.475 . . . . 99.99 109.822 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.461 HD13 HD13 ' E' ' 59' ' ' LEU . 4.9 mp -84.11 53.89 2.76 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.596 -0.52 . . . . 99.99 109.596 -179.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 66.55 162.78 0.13 Allowed Pre-proline 0 C--N 1.37 1.494 0 C-N-CA 125.58 1.552 . . . . 99.99 112.303 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.83 39.77 0.79 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.119 2.546 . . . . 99.99 113.071 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.455 ' HA ' ' HE2' ' E' ' 65' ' ' LYS . 28.9 tp 59.58 -81.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.992 1.717 . . . . 99.99 111.995 -176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -77.67 -28.63 51.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.645 1.178 . . . . 99.99 111.414 -171.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.73 -145.1 0.37 Allowed 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 106.319 -1.734 . . . . 99.99 106.319 -169.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -145.94 127.55 7.61 Favored Pre-proline 0 N--CA 1.495 1.788 0 CA-C-O 117.349 -1.31 . . . . 99.99 108.971 169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_exo -21.87 69.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.629 1 C-N-CA 127.244 5.296 . . . . 99.99 118.069 -172.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.441 HG11 HG23 ' B' ' 86' ' ' ILE . 2.4 t 53.42 23.26 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 127.156 2.183 . . . . 99.99 113.38 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -152.45 117.38 5.13 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.346 -0.846 . . . . 99.99 109.176 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 57.73 -171.22 0.1 Allowed 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.909 1.283 . . . . 99.99 112.296 -169.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.91 -41.62 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.108 0.963 . . . . 99.99 109.588 173.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' B' ' 46' ' ' THR . 9.3 mmm180 -85.5 168.0 14.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.082 -0.963 . . . . 99.99 110.072 173.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -56.05 129.97 73.35 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 123.921 0.888 . . . . 99.99 110.417 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.32 118.64 5.63 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 121.354 1.369 . . . . 99.99 112.301 -170.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 161.61 140.36 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 127.451 2.3 . . . . 99.99 108.336 174.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 175.66 -46.21 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 124.716 1.206 . . . . 99.99 110.647 -170.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.35 167.74 0.51 Allowed 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 123.064 2.509 . . . . 99.99 115.738 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t 68.09 -69.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.137 0 C-N-CA 125.528 1.531 . . . . 99.99 110.116 -172.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -160.01 -48.56 0.05 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.032 0.533 . . . . 99.99 110.238 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 175.93 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.326 1.45 . . . . 99.99 107.367 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 55.95 -93.63 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.47 1.108 . . . . 99.99 110.857 -175.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -164.2 47.93 0.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . 70.75 -70.36 0.16 Allowed 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.594 1.557 . . . . 99.99 110.075 -172.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 113.87 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.432 -0.951 . . . . 99.99 108.432 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -130.48 131.87 45.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.196 0.598 . . . . 99.99 110.142 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -80.5 1.57 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.567 0.542 . . . . 99.99 112.902 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.46 97.42 5.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.369 0.668 . . . . 99.99 109.371 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 47.0 mm 55.63 83.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.946 1.299 . . . . 99.99 112.002 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -82.34 -26.76 32.68 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.652 -0.704 . . . . 99.99 110.622 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.56 108.93 53.82 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.352 -0.981 . . . . 99.99 108.352 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.38 -35.39 61.91 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.946 2.431 . . . . 99.99 112.903 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.33 -76.86 1.44 Allowed Glycine 0 C--N 1.348 1.243 0 N-CA-C 110.922 -0.871 . . . . 99.99 110.922 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.9 156.89 27.14 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 110.921 -0.872 . . . . 99.99 110.921 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.5 14.3 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.556 0.743 . . . . 99.99 110.544 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 66.37 -179.28 0.2 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.321 1.448 . . . . 99.99 111.446 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -125.31 176.11 6.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.5 0.72 . . . . 99.99 109.781 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . . . . . . . . . 67.2 mt 62.73 -160.18 0.31 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 124.494 1.121 . . . . 99.99 110.105 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 22.7 m 63.47 80.39 0.23 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.809 0.844 . . . . 99.99 110.978 176.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.488 ' HA2' ' HE ' ' E' ' 56' ' ' ARG . . . 143.52 -26.76 2.11 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-N 115.505 -0.771 . . . . 99.99 112.262 -176.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 56.84 47.3 18.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.882 1.273 . . . . 99.99 110.416 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.96 -16.17 6.37 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.757 1.623 . . . . 99.99 114.886 -164.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 68.7 p -85.27 -62.86 1.43 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 122.761 0.424 . . . . 99.99 111.332 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.9 -55.94 3.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.377 0.671 . . . . 99.99 112.158 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.93 40.58 1.99 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.911 0.884 . . . . 99.99 110.865 -168.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.798 ' HB3' ' HD3' ' E' ' 373' ' ' ARG . 7.6 tt -51.95 117.83 3.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.165 1.386 . . . . 99.99 110.865 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . 0.488 ' HE ' ' HA2' ' E' ' 49' ' ' GLY . 36.7 mtm180 -79.79 116.36 19.91 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.972 0.795 . . . . 99.99 109.923 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.37 141.42 28.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.407 0.683 . . . . 99.99 109.98 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 14.8 p -69.51 85.84 0.44 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.871 0.868 . . . . 99.99 110.714 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . 0.461 HD13 HD13 ' E' ' 10' ' ' LEU . 9.9 tp -130.23 123.54 30.42 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.319 1.047 . . . . 99.99 108.59 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' E' ' 314' ' ' ARG . 13.8 m -64.08 -44.75 91.43 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.795 1.238 . . . . 99.99 112.289 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . 0.497 ' HB3' ' NH1' ' E' ' 314' ' ' ARG . 29.8 t70 77.32 -43.44 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.566 1.547 . . . . 99.99 112.972 175.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.596 ' HG2' HH11 ' E' ' 314' ' ' ARG . 13.5 mmmm -81.64 -169.06 0.21 Allowed Pre-proline 0 CA--C 1.588 2.421 0 CA-C-O 116.537 -1.697 . . . . 99.99 110.062 178.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -4.03 102.34 0.0 OUTLIER 'Trans proline' 1 C--N 1.423 4.497 1 C-N-CA 125.308 4.006 . . . . 99.99 117.247 -147.028 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.41 143.42 56.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.013 -0.994 . . . . 99.99 111.316 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' E' ' 13' ' ' LEU . 18.1 pttp -154.54 142.11 19.8 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.862 1.265 . . . . 99.99 109.897 -165.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.657 ' HA ' ' HB2' ' B' ' 134' ' ' ASP . 18.9 p-10 -153.39 169.5 22.98 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.034 0.533 . . . . 99.99 112.313 -176.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.584 HD11 HD12 ' E' ' 69' ' ' LEU . 17.4 tt -88.73 148.22 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 N-CA-C 109.599 -0.519 . . . . 99.99 109.599 170.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 37.5 mt -108.97 -101.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.584 HD12 HD11 ' E' ' 67' ' ' ILE . 94.2 mt 50.07 29.5 3.57 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.334 1.054 . . . . 99.99 112.878 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' D' ' 132' ' ' ASN . 1.5 pt? -143.3 151.62 40.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.679 0.391 . . . . 99.99 110.76 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.46 105.98 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 175.9 179.43 46.39 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 120.131 -0.261 . . . . 99.99 112.74 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.6 154.04 18.59 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.593 0.757 . . . . 99.99 109.723 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.48 103.4 2.18 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.054 -0.521 . . . . 99.99 113.321 -176.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 83.7 mtp -118.99 98.9 6.41 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.167 0.587 . . . . 99.99 110.069 174.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.25 88.72 0.07 OUTLIER Glycine 0 C--N 1.345 1.07 0 N-CA-C 111.053 -0.819 . . . . 99.99 111.053 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -118.61 85.02 2.28 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 122.363 1.078 . . . . 99.99 110.494 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . 0.681 ' H ' ' HB3' ' B' ' 139' ' ' ASN . 35.9 m -69.03 -8.01 40.94 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.904 1.682 . . . . 99.99 114.714 -172.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -43.31 -46.36 6.32 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 125.348 1.459 . . . . 99.99 113.263 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 tt -95.63 131.76 41.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 108.766 -0.827 . . . . 99.99 108.766 169.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . 0.42 ' HA ' HG23 ' D' ' 10' ' ' THR . 88.7 m -118.69 104.01 10.21 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.862 -0.792 . . . . 99.99 108.862 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 138.11 58.2 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.718 0.636 . . . . 99.99 110.205 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.54 -178.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.773 1.229 . . . . 99.99 113.601 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -0.55 1.63 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.006 0.522 . . . . 99.99 112.0 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -75.82 81.12 2.74 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 122.053 0.93 . . . . 99.99 111.304 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -171.92 156.2 4.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.424 1.49 . . . . 99.99 108.458 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . 76.38 -45.08 0.5 Allowed 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.5 1.52 . . . . 99.99 112.874 176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.16 76.75 0.09 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.155 1.382 . . . . 99.99 111.927 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.47 -72.02 1.5 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.587 -0.733 . . . . 99.99 111.694 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -147.15 -63.58 0.28 Allowed 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.54 1.136 . . . . 99.99 108.095 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.42 -77.07 1.43 Allowed Glycine 0 C--N 1.356 1.651 0 CA-C-N 115.441 -0.8 . . . . 99.99 112.021 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 165.97 -140.32 6.29 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.152 -1.179 . . . . 99.99 110.152 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -136.47 157.17 47.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.671 0.788 . . . . 99.99 109.219 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -71.85 114.08 9.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.967 0.507 . . . . 99.99 110.459 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 122.23 20.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.198 0.599 . . . . 99.99 110.748 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' HB1' ' D' ' 87' ' ' ALA . . . -152.86 -51.54 0.01 OUTLIER Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.011 -0.836 . . . . 99.99 111.011 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.535 HD11 HG12 ' D' ' 86' ' ' ILE . 39.1 pt -109.14 109.88 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 CA-C-O 122.283 1.04 . . . . 99.99 111.253 176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -107.46 153.19 23.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.78 1.232 . . . . 99.99 108.688 173.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.79 71.69 0.45 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.225 0.953 . . . . 99.99 110.024 -171.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 54.3 tp -115.48 87.92 18.16 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.205 1.002 . . . . 99.99 108.306 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.84 2.56 6.49 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.074 2.516 . . . . 99.99 111.532 171.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' D' ' 95' ' ' ALA . 1.5 tt 71.13 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.873 1.669 . . . . 99.99 109.245 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -177.21 -37.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 126.606 1.962 . . . . 99.99 106.785 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.62 162.52 36.02 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 113.893 -1.503 . . . . 99.99 109.484 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -76.89 -68.23 0.63 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -95.09 119.58 33.85 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.528 -0.916 . . . . 99.99 108.528 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 23.8 m -71.66 86.63 0.92 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.082 0.553 . . . . 99.99 109.919 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -75.63 86.38 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.389 0.614 . . . . 99.99 109.925 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 51.8 t80 175.29 -38.47 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.121 1.769 . . . . 99.99 108.024 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' D' ' 45' ' ' ASP . . . 67.96 -141.82 0.11 Allowed 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.843 1.34 . . . . 99.99 109.19 -172.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.452 HD22 HD23 ' D' ' 44' ' ' LEU . 6.2 mp -103.39 -69.23 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.65 -0.87 . . . . 99.99 108.65 170.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -109.94 16.53 21.88 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.111 -0.95 . . . . 99.99 109.803 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 67.97 145.11 0.04 OUTLIER 'General case' 0 C--N 1.372 1.55 0 C-N-CA 124.735 1.214 . . . . 99.99 111.834 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -74.02 83.8 1.76 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 108.039 -1.097 . . . . 99.99 108.039 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 96.3 m -153.51 144.31 22.7 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.804 1.242 . . . . 99.99 107.987 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . 0.48 ' O ' ' HD3' ' D' ' 41' ' ' LYS . . . -80.32 40.6 2.39 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.392 0.432 . . . . 99.99 113.491 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.26 73.83 36.59 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 107.83 -1.174 . . . . 99.99 107.83 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.69 150.75 12.94 Favored 'Trans proline' 0 C--N 1.38 2.219 0 C-N-CA 123.016 2.477 . . . . 99.99 111.124 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.21 -67.55 0.84 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.733 0.413 . . . . 99.99 111.722 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -88.96 -30.24 18.94 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.732 0.813 . . . . 99.99 111.646 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.45 HG21 HD21 ' D' ' 44' ' ' LEU . 10.7 p -105.22 30.69 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.521 0 C-N-CA 125.165 1.386 . . . . 99.99 109.658 -172.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 15.1 t -78.94 -7.91 58.42 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.286 -0.87 . . . . 99.99 111.856 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -133.56 154.48 50.83 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.846 0.858 . . . . 99.99 110.065 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' D' ' 128' ' ' LEU . 38.9 t -138.3 -47.3 0.52 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.34 1.056 . . . . 99.99 109.973 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . 63.39 -163.41 0.27 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.172 0.989 . . . . 99.99 111.537 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 64.29 75.32 0.38 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.414 1.086 . . . . 96.83 111.852 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 9.8 p -159.7 113.94 2.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.189 -0.914 . . . . 99.99 110.801 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.8 122.18 4.25 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 74.48 111.471 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 9.3 t 177.13 169.45 0.56 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.825 1.65 . . . . 99.99 109.211 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.37 162.07 41.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.515 0.726 . . . . 99.99 110.448 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -132.41 127.53 35.58 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.799 0.84 . . . . 99.99 110.31 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 45.2 t -168.58 90.28 0.25 Allowed 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.126 -1.064 . . . . 99.99 108.126 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 19.6 m -148.52 144.41 27.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.16 0.584 . . . . 99.99 110.509 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.59 163.26 26.52 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.193 -0.763 . . . . 89.58 111.193 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 32.2 m -129.43 163.85 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.02 0.928 . . . . 99.99 108.885 174.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . 0.498 ' HB2' ' SD ' ' E' ' 464' ' ' MET . 4.4 mptp? -106.66 -167.42 1.28 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.113 0.565 . . . . 99.99 109.808 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.436 HG22 ' HD1' ' E' ' 138' ' ' TYR . 22.1 m 76.75 125.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.944 1.698 . . . . 99.99 110.032 -177.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' E' ' 137' ' ' THR . 29.4 p90 23.58 74.4 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 126.128 1.771 . . . . 99.99 114.707 -170.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 64.68 -83.51 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.461 1.504 . . . . 99.99 111.349 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -121.32 6.33 10.8 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 119.571 -0.572 . . . . 99.99 113.171 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 130' ' ' PRO . . . 56.64 -87.34 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.23 1.412 . . . . 99.99 113.172 173.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.454 HD21 HD11 ' C' ' 105' ' ' ILE . 7.6 tp -166.74 18.99 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.19 0.996 . . . . 99.99 108.405 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.22 -110.39 3.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 114.888 -1.051 . . . . 99.99 112.608 -171.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.74 157.8 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.574 0.75 . . . . 99.99 110.823 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -148.35 106.39 3.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.245 1.018 . . . . 99.99 108.509 168.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 9.3 tt -179.41 89.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.202 -1.777 . . . . 99.99 106.202 171.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -141.18 136.85 32.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.079 -0.509 . . . . 99.99 111.296 -169.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -135.84 99.56 4.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.443 -1.317 . . . . 99.99 107.443 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 99.49 4.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.051 0.929 . . . . 99.99 109.096 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.23 156.72 41.42 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.023 -0.99 . . . . 99.99 109.346 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 30.4 m80 55.09 38.96 0.51 Allowed Pre-proline 0 CA--C 1.564 1.497 0 C-N-CA 124.583 1.153 . . . . 99.99 112.566 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.42 -35.85 96.79 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 122.571 2.181 . . . . 99.99 113.407 -161.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 41.0 p -57.84 -47.9 81.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.469 1.107 . . . . 99.99 112.579 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.402 HG13 HD22 ' E' ' 155' ' ' LEU . 25.9 pt -77.79 -19.51 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 111.596 0.221 . . . . 99.99 111.596 -174.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . 0.402 HD22 HG13 ' E' ' 154' ' ' ILE . 3.9 mm? -78.23 -36.22 47.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.977 0.511 . . . . 99.99 110.74 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -80.86 76.03 7.79 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.536 0.735 . . . . 99.99 111.056 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.505 ' HB3' ' HB3' ' E' ' 160' ' ' ALA . 67.8 mtm 63.85 -75.75 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.962 1.305 . . . . 99.99 111.092 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . 65.1 -74.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.744 1.618 . . . . 99.99 111.762 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -62.38 -45.51 92.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.124 0.969 . . . . 99.99 110.04 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' E' ' 157' ' ' MET . . . -64.14 -52.69 57.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.791 0.837 . . . . 99.99 111.488 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 62.97 -76.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.948 1.299 . . . . 99.99 112.26 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -152.2 143.52 10.48 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 110.608 -0.997 . . . . 99.99 110.608 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 2.0 pp -154.2 -169.49 3.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.303 0.641 . . . . 99.99 110.654 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 81.62 -3.26 1.61 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.944 1.698 . . . . 99.99 113.148 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 67.0 p 48.56 33.71 4.33 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.355 1.462 . . . . 99.99 113.312 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 108.16 130.34 6.22 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.813 -0.63 . . . . 99.99 111.611 -175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -81.98 -55.0 4.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.262 0.625 . . . . 99.99 109.447 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.53 -37.97 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.941 0.896 . . . . 99.99 110.133 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 16.4 m 64.4 12.86 7.64 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.64 1.176 . . . . 99.99 111.816 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 77.1 p 47.37 30.8 1.64 Allowed 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.69 1.596 . . . . 99.99 113.079 -173.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.03 95.78 8.67 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.809 0.844 . . . . 99.99 109.601 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.18 -61.94 1.63 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.136 0.975 . . . . 99.99 109.849 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.88 86.88 0.99 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.837 0.855 . . . . 99.99 109.306 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -100.78 178.18 4.77 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.203 1.001 . . . . 99.99 109.7 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.83 -74.37 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.407 0.442 . . . . 99.99 109.941 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 54.37 22.28 3.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.487 1.115 . . . . 99.99 113.309 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 84.2 m -95.71 108.69 41.72 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.914 0.886 . . . . 99.99 109.553 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.46 -4.37 15.2 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.676 2.251 . . . . 99.99 112.745 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 72.23 -66.42 0.31 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.735 1.614 . . . . 99.99 110.673 -174.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 58.24 29.04 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.388 1.075 . . . . 99.99 111.233 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 63.9 tp -92.02 127.84 37.64 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.329 -0.851 . . . . 99.99 109.77 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 17.2 m -64.85 119.73 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 O-C-N 123.715 0.634 . . . . 99.99 110.279 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -165.08 -45.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.778 0.831 . . . . 99.99 109.274 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 39.3 t60 68.22 -71.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.34 1.456 . . . . 99.99 111.084 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 67.7 t 67.53 -72.17 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 125.498 1.519 . . . . 99.99 113.666 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . 0.257 13.6 t 47.46 85.63 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 125.171 1.388 . . . . 99.99 110.678 -167.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 23.3 t -57.27 -66.06 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 114.412 -1.267 . . . . 99.99 112.478 -165.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.84 100.19 10.18 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.047 -0.723 . . . . 99.99 109.047 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -88.15 -54.22 4.32 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.205 1.002 . . . . 99.99 109.099 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 74.7 m -153.34 27.95 0.51 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.462 1.105 . . . . 99.99 109.393 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -81.93 78.11 8.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.769 0.795 . . . . 99.99 109.554 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 174.67 80.39 0.05 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-N 113.962 -1.472 . . . . 99.99 110.14 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.29 137.65 71.52 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.693 2.929 . . . . 99.99 113.247 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 46.6 p -139.53 178.17 7.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.897 0.879 . . . . 99.99 110.396 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.23 79.58 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.898 0.879 . . . . 99.99 112.06 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 25.0 p -103.79 93.72 5.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.662 0.785 . . . . 99.99 109.674 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 52.4 p -146.7 -66.03 0.28 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.6 0.76 . . . . 99.99 109.904 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.515 ' HG3' ' H ' ' E' ' 199' ' ' LYS . 5.2 pt-20 -155.91 -93.57 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.838 0.855 . . . . 99.99 110.242 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.515 ' H ' ' HG3' ' E' ' 198' ' ' GLU . 36.0 ttpt -176.32 -58.53 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.302 1.041 . . . . 99.99 108.725 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 78.1 m 66.1 118.81 0.02 OUTLIER Pre-proline 0 CA--C 1.56 1.354 0 C-N-CA 125.47 1.508 . . . . 99.99 110.87 -172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.38 -29.0 54.39 Favored 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.451 2.101 . . . . 99.99 112.662 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 71.93 17.6 77.08 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 123.574 0.546 . . . . 99.99 113.333 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -130.77 78.67 1.85 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.828 0.823 . . . . 99.99 109.899 -172.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -159.47 171.68 19.27 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 114.571 -1.195 . . . . 99.99 109.346 175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 55.7 tp 72.87 -65.21 0.37 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.319 1.448 . . . . 99.99 111.273 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 67.17 -75.42 0.06 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.916 1.286 . . . . 99.99 110.256 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . 0.515 ' HE3' ' HA ' ' E' ' 215' ' ' GLU . 0.0 OUTLIER -122.34 -48.49 2.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.659 -0.867 . . . . 99.99 108.659 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . 86.6 -57.69 4.69 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.166 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -80.33 -5.72 89.61 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-O 119.425 -0.653 . . . . 99.99 113.119 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' E' ' 210' ' ' LYS . 33.1 ttpt 73.0 -76.27 0.07 Allowed 'General case' 0 C--N 1.362 1.145 0 C-N-CA 124.674 1.189 . . . . 99.99 111.885 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -85.16 76.48 2.21 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 114.584 0.594 . . . . 99.99 114.584 -170.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 22.6 t 59.32 24.16 12.66 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.503 1.121 . . . . 99.99 112.917 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 8.6 tp -126.69 149.35 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.129 0.571 . . . . 99.99 109.5 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 6.0 t 54.6 48.08 21.19 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.422 1.889 . . . . 99.99 111.501 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' E' ' 207' ' ' LYS . 1.3 mp0 -75.14 -11.21 60.03 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 113.462 -1.699 . . . . 99.99 112.673 -174.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.88 -53.52 15.46 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.024 0.828 . . . . 99.99 111.561 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' E' ' 219' ' ' ASN . 2.3 tt 69.67 -64.73 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.702 1.601 . . . . 99.99 111.606 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' E' ' 218' ' ' LEU . 1.0 OUTLIER 80.12 85.5 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.395 1.878 . . . . 99.99 107.417 -170.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' E' ' 217' ' ' LEU . 58.1 t30 -141.18 164.72 29.5 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 113.594 -1.639 . . . . 99.99 107.889 -173.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 65.2 102.46 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.171 0.988 . . . . 99.99 110.562 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.64 0.99 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.95 0.5 . . . . 99.99 110.546 -173.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . 71.87 -76.38 0.07 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.148 1.379 . . . . 99.99 110.234 -171.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 67.55 -61.11 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.661 1.585 . . . . 99.99 114.462 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.5 120.63 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 123.85 0.86 . . . . 99.99 111.84 -174.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 30.3 m -131.23 121.33 24.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 99.99 105.924 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.75 -38.32 87.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.886 0.474 . . . . 99.99 110.215 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 77.54 -72.6 2.16 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.175 -0.921 . . . . 99.99 112.639 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 85.89 -60.35 4.64 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 110.61 -0.996 . . . . 99.99 110.61 -174.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 166.85 165.65 24.6 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.558 -1.017 . . . . 99.99 110.558 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -77.64 73.82 4.21 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.783 -0.821 . . . . 99.99 108.783 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.624 ' HG3' HG21 ' E' ' 409' ' ' THR . 0.2 OUTLIER -89.72 -61.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.405 1.082 . . . . 99.99 108.285 -173.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 3.0 t 50.73 172.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.802 2.041 . . . . 99.99 113.672 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . 0.547 ' HB2' ' HG2' ' B' ' 3' ' ' GLU . 54.7 t80 -84.99 -57.56 3.05 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.492 -0.755 . . . . 99.99 109.207 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.94 0.09 Allowed 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.555 1.159 . . . . 99.99 112.178 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -78.94 100.97 7.49 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.775 -1.194 . . . . 99.99 107.775 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . 0.407 HG22 HG23 ' E' ' 238' ' ' THR . 28.0 m -64.14 -40.46 96.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.501 0.72 . . . . 99.99 110.182 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 57.04 60.35 3.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.909 1.284 . . . . 99.99 111.938 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.407 HG23 HG22 ' E' ' 236' ' ' THR . 24.1 p -83.16 58.67 4.56 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.605 -0.725 . . . . 99.99 110.524 177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -162.79 -80.68 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.187 0.995 . . . . 99.99 108.472 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . 64.41 -151.95 50.04 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.388 0.43 . . . . 99.99 113.357 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -93.45 77.42 4.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -35.81 6.24 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.633 -0.712 . . . . 99.99 112.125 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -166.0 128.82 2.02 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.181 0.592 . . . . 99.99 110.397 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -85.47 134.09 12.31 Favored Glycine 0 C--N 1.346 1.131 0 CA-C-O 119.519 -0.601 . . . . 99.99 111.641 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -56.07 115.38 2.39 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.013 0.925 . . . . 99.99 111.317 -174.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 74.4 m 80.02 -50.5 0.36 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.765 1.626 . . . . 99.99 112.496 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' E' ' 250' ' ' GLN . 3.0 mm? -62.4 -18.87 62.67 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.488 0.715 . . . . 99.99 112.266 -177.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.69 ' HG3' ' HG3' ' E' ' 249' ' ' GLU . 28.1 ptt180 -61.79 -36.72 81.91 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.452 1.101 . . . . 99.99 113.016 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.69 ' HG3' ' HG3' ' E' ' 248' ' ' ARG . 47.9 mt-10 -84.0 -19.75 33.98 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.732 1.012 . . . . 99.99 113.732 -168.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' E' ' 247' ' ' LEU . 21.0 pt20 -72.69 -17.17 61.66 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.0 0.364 . . . . 99.99 110.973 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.9 44.09 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.569 1.148 . . . . 99.99 112.588 176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.55 -34.14 10.89 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.721 1.208 . . . . 99.99 113.134 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.29 67.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.406 0.683 . . . . 99.99 112.204 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -127.33 -160.14 0.98 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.08 0.952 . . . . 99.99 109.991 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 91.37 -94.67 1.97 Allowed Glycine 0 C--N 1.349 1.272 0 CA-C-O 119.748 -0.473 . . . . 99.99 112.649 174.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -82.51 144.04 30.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.465 0.706 . . . . 99.99 110.682 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 62.85 -77.43 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.883 1.273 . . . . 99.99 110.378 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 32.9 tp 60.1 -80.3 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.226 1.411 . . . . 99.99 111.85 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.435 HG12 ' H ' ' E' ' 262' ' ' ALA . 61.8 t -111.54 -64.27 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 109.299 -0.63 . . . . 99.99 109.299 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 21.0 m 72.55 -53.34 0.7 Allowed 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 125.76 1.624 . . . . 99.99 113.126 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.47 -48.4 74.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.596 1.159 . . . . 99.99 112.469 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . 0.435 ' H ' HG12 ' E' ' 259' ' ' VAL . . . -80.23 -15.93 55.9 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.006 -0.543 . . . . 99.99 111.772 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -70.39 -47.95 58.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.96 0.504 . . . . 99.99 110.774 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 11.7 p -165.17 -169.78 1.73 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.532 0.733 . . . . 99.99 110.681 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 54.9 tp 73.35 -77.67 0.05 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.227 1.411 . . . . 99.99 110.398 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . 0.415 ' N ' HD22 ' E' ' 266' ' ' ASN . 0.8 OUTLIER 61.76 -90.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.54 1.136 . . . . 99.99 111.15 -179.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 49.6 m -145.51 23.51 1.44 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.811 0.845 . . . . 99.99 111.093 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.48 -27.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 23.7 m 67.54 -85.43 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.568 1.547 . . . . 99.99 112.179 175.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -171.1 169.65 6.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.153 -1.054 . . . . 99.99 108.153 -170.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -85.63 -58.89 2.48 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.146 0.795 . . . . 99.99 113.146 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.85 -32.99 52.4 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.38 0.511 . . . . 99.99 112.38 -167.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -86.02 27.61 0.88 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.139 0.576 . . . . 99.99 111.476 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -132.37 34.99 3.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.355 1.462 . . . . 99.99 109.858 -170.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -36.55 134.79 0.6 Allowed Pre-proline 0 N--CA 1.504 2.239 0 C-N-CA 125.662 1.585 . . . . 99.99 114.879 -156.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -48.69 -56.99 2.63 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 124.65 3.567 . . . . 99.99 116.126 -163.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 91.5 mt 73.73 92.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 125.065 1.478 . . . . 99.99 109.152 -161.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.21 102.66 1.61 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.928 -1.138 . . . . 99.99 107.928 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -64.48 -59.05 8.77 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 123.925 0.765 . . . . 99.99 112.534 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 4.3 pp -160.62 178.25 9.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 110.916 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -131.97 -65.92 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.351 -0.981 . . . . 99.99 108.351 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -80.09 79.56 6.63 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.762 -0.654 . . . . 99.99 109.535 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.69 -39.75 91.6 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.516 1.127 . . . . 99.99 111.461 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 171.2 -122.46 0.97 Allowed Glycine 0 C--N 1.337 0.604 0 N-CA-C 110.653 -0.979 . . . . 99.99 110.653 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -67.58 89.58 0.24 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.183 0.593 . . . . 99.99 110.403 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.473 ' HB2' ' HD3' ' E' ' 287' ' ' PRO . 3.1 mmt -135.73 -53.52 0.02 OUTLIER Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 124.817 1.247 . . . . 99.99 110.753 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' C' ' 44' ' ' LEU . 25.8 Cg_exo -66.9 89.11 0.29 Allowed 'Trans proline' 0 C--N 1.389 2.681 0 C-N-CA 121.418 1.412 . . . . 99.99 112.131 173.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.32 107.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.738 0.815 . . . . 99.99 109.681 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -89.07 69.28 8.39 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.721 0.772 . . . . 99.99 109.115 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.5 ' HZ2' ' HB2' ' E' ' 294' ' ' LYS . 2.0 t-105 76.57 160.39 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.24 1.816 . . . . 99.99 112.266 174.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.415 HD13 ' N ' ' E' ' 291' ' ' LEU . 0.0 OUTLIER -115.58 -17.82 11.07 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.715 0.806 . . . . 99.99 112.483 -170.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . 153.15 173.55 22.56 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-O 119.117 -0.824 . . . . 99.99 111.728 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -57.87 135.2 67.52 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 123.746 2.964 . . . . 99.99 112.788 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.5 ' HB2' ' HZ2' ' E' ' 290' ' ' TRP . 19.8 tptm -104.41 119.71 39.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.527 0.731 . . . . 99.99 111.111 -173.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -83.8 111.21 18.99 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.882 -0.785 . . . . 99.99 108.882 170.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.435 HG21 HD13 ' C' ' 126' ' ' LEU . 5.9 m -156.81 -55.03 0.08 Allowed 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.675 0.79 . . . . 99.99 110.506 -174.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.9 87.8 4.73 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.221 -0.9 . . . . 99.99 108.832 -171.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -66.67 165.3 15.14 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.098 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -81.26 54.85 4.79 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.39 -0.823 . . . . 99.99 113.208 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 47.9 t30 177.94 101.28 0.02 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 125.034 1.334 . . . . 99.99 107.911 -173.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.402 HG22 HH22 ' D' ' 15' ' ' ARG . 65.8 mt -68.42 142.66 16.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 108.539 -0.911 . . . . 99.99 108.539 169.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.85 127.34 20.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.19 0.996 . . . . 99.99 111.633 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' C' ' 32' ' ' PHE . 19.5 pttm -162.52 74.3 2.14 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 124.076 0.95 . . . . 99.99 110.191 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . 0.506 ' HB2' HD13 ' E' ' 6' ' ' ILE . 67.5 Cg_endo -87.28 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.164 1.909 . . . . 99.99 111.771 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . 0.416 ' O ' HG21 ' E' ' 6' ' ' ILE . . . -57.32 130.84 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.96 0.904 . . . . 99.99 111.565 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 70.7 t -77.54 109.26 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 99.99 109.923 -174.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 8.8 t -136.09 140.72 43.96 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.982 0.913 . . . . 99.99 109.837 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . . . . . . . . . 61.6 m -147.02 114.26 6.25 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.294 1.038 . . . . 99.99 108.325 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . 0.427 ' HB ' ' HE3' ' E' ' 380' ' ' LYS . 72.2 p -88.12 108.58 22.36 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.334 0.654 . . . . 99.99 110.783 -177.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.61 121.63 5.63 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.792 2.328 . . . . 99.99 113.93 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -171.8 -59.73 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.365 0 C-N-CA 125.762 1.625 . . . . 99.99 109.415 166.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.21 177.63 8.37 Favored 'Trans proline' 0 C--N 1.392 2.836 0 C-N-CA 121.457 1.438 . . . . 99.99 112.987 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -79.95 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.843 1.257 . . . . 99.99 108.558 -171.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.596 HH11 ' HG2' ' E' ' 62' ' ' LYS . 23.9 tpp180 58.81 -80.12 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.317 1.447 . . . . 99.99 110.925 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -165.87 -66.33 0.03 OUTLIER 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.863 -1.532 . . . . 99.99 106.863 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 20.3 t70 48.98 78.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.331 1.453 . . . . 99.99 111.299 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 49.4 m -142.48 148.82 38.33 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.927 0.491 . . . . 99.99 110.326 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 42.9 t -92.1 125.19 57.61 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.193 -1.04 . . . . 99.99 108.193 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.31 -177.83 2.59 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.497 2.132 . . . . 99.99 112.699 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 9.8 t -66.21 140.74 58.19 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.929 0.491 . . . . 99.99 111.272 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.636 HD12 ' HE2' ' E' ' 327' ' ' LYS . 2.7 mm? -86.75 175.41 8.25 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.636 0.774 . . . . 99.99 110.309 -177.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 61.2 31.26 19.54 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.902 1.281 . . . . 99.99 112.563 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.8 -39.1 83.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.711 0.804 . . . . 99.99 111.482 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 24.6 ttt -87.55 -91.02 0.11 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.094 -1.076 . . . . 99.99 108.094 171.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.23 -68.6 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.098 1.359 . . . . 99.99 107.912 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.66 95.69 2.88 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.681 0.793 . . . . 99.99 109.898 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.636 ' HE2' HD12 ' E' ' 321' ' ' LEU . 50.4 tptt -108.85 -31.78 7.55 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.554 -0.748 . . . . 99.99 109.197 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.11 -23.49 67.47 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.985 0.914 . . . . 99.99 113.347 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 12.5 tt -67.76 -46.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.412 0.685 . . . . 99.99 111.473 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -87.26 -19.18 28.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.483 0.713 . . . . 99.99 110.797 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 40.0 tp -80.07 -43.08 22.44 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.925 0.89 . . . . 99.99 110.261 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 34.41 83.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 126.534 1.934 . . . . 99.99 113.929 -174.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 93.1 p 54.28 31.54 14.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.188 1.395 . . . . 99.99 112.687 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.09 -78.09 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 125.216 1.406 . . . . 99.99 111.076 -170.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -166.78 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.776 -1.194 . . . . 99.99 107.776 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 53.91 25.13 5.07 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.433 1.093 . . . . 99.99 112.829 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -77.7 -41.18 38.87 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.04 151.05 45.51 Favored Glycine 0 C--N 1.347 1.187 0 CA-C-N 115.389 -0.823 . . . . 99.99 112.777 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -81.87 8.36 10.52 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 124.393 1.077 . . . . 99.99 111.8 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 60.46 48.63 7.48 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 124.839 1.256 . . . . 99.99 109.118 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . 0.446 HD12 ' HG2' ' E' ' 342' ' ' GLN . 0.3 OUTLIER 70.09 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 113.318 -1.765 . . . . 99.99 109.197 -174.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' E' ' 341' ' ' LEU . 12.6 pt20 -165.71 -170.16 1.73 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.405 0.682 . . . . 99.99 110.278 -176.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.18 135.87 27.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 122.833 0.453 . . . . 99.99 109.884 169.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.66 153.45 28.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.781 0.832 . . . . 99.99 111.826 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . 148.0 -149.87 22.01 Favored Glycine 0 C--N 1.343 0.944 0 CA-C-O 119.42 -0.656 . . . . 99.99 111.64 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 67.54 75.42 0.29 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.02 1.328 . . . . 99.99 110.742 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 19.6 m -83.68 126.13 32.56 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.151 -0.932 . . . . 99.99 110.761 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 10.2 tt -98.55 148.87 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.46 0.704 . . . . 99.99 110.056 174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.81 141.63 32.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.924 -0.769 . . . . 99.99 108.924 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -115.42 -31.11 6.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.09 0.556 . . . . 99.99 110.957 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -57.21 -45.06 84.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.927 0.891 . . . . 99.99 113.008 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.23 -32.94 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.06 0.393 . . . . 99.99 112.06 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -98.6 -10.62 23.1 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.6 0.76 . . . . 99.99 112.119 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -119.87 12.7 12.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.372 0.669 . . . . 99.99 112.377 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.42 -68.56 0.7 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.102 0.561 . . . . 99.99 109.92 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.4 ' H ' ' HD2' ' E' ' 357' ' ' PRO . 60.1 t30 -172.05 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.076 0.951 . . . . 99.99 110.424 -174.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.4 ' HD2' ' H ' ' E' ' 356' ' ' ASN . 83.6 Cg_endo -77.85 170.35 19.12 Favored 'Trans proline' 0 C--N 1.395 2.98 0 C-N-CA 121.507 1.471 . . . . 99.99 111.951 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 61.1 m 62.33 34.61 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.328 1.051 . . . . 99.99 111.31 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . -77.61 -18.79 77.05 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.458 -0.792 . . . . 99.99 112.622 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 64.41 14.95 9.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.131 1.372 . . . . 99.99 112.474 175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 49.4 mm 58.71 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.86 1.264 . . . . 99.99 110.132 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 133.63 147.51 5.7 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 116.081 -0.508 . . . . 99.99 113.327 172.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.46 100.59 11.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.527 0.731 . . . . 99.99 109.128 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 97.8 m -77.86 119.2 21.01 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.362 0.665 . . . . 99.99 110.326 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.65 149.22 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 122.908 0.483 . . . . 99.99 110.053 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.17 141.27 28.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.012 0.525 . . . . 99.99 110.485 -172.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.92 -39.57 90.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.901 0.88 . . . . 99.99 110.438 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.411 ' O ' HG22 ' E' ' 371' ' ' VAL . 37.1 t70 -66.8 -20.96 66.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.795 0.838 . . . . 99.99 111.563 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.91 -41.14 68.26 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.806 0.336 . . . . 99.99 110.825 174.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.82 -15.65 63.74 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.033 0.933 . . . . 99.99 113.402 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . 0.411 HG22 ' O ' ' E' ' 368' ' ' ASP . 6.9 m -65.41 -20.95 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 99.99 112.368 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -57.46 -23.12 47.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.967 0.907 . . . . 99.99 113.241 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.798 ' HD3' ' HB3' ' E' ' 55' ' ' LEU . 70.1 mtm180 -60.08 -23.98 64.23 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.517 0.727 . . . . 99.99 112.958 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.72 73.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.026 0.53 . . . . 99.99 110.756 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.22 -30.83 62.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.514 -0.766 . . . . 99.99 110.863 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . 0.557 ' HG3' ' HE2' ' E' ' 380' ' ' LYS . 11.9 tp10 -72.64 -30.99 64.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.415 -0.811 . . . . 99.99 111.355 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.9 -43.49 86.16 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.945 0.898 . . . . 99.99 109.982 172.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.73 -24.63 62.66 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.878 -1.056 . . . . 99.99 111.7 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -87.54 -0.3 56.65 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.275 0.842 . . . . 99.99 113.275 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . 0.557 ' HE2' ' HG3' ' E' ' 376' ' ' GLU . 68.3 mmtt -79.48 90.28 5.07 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 112.598 0.592 . . . . 99.99 112.598 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 49.75 77.87 0.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.618 1.567 . . . . 99.99 113.997 164.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 60.95 -92.88 0.06 OUTLIER Glycine 0 C--N 1.353 1.482 0 CA-C-N 115.718 -0.673 . . . . 99.99 113.519 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -170.09 149.65 3.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.322 1.049 . . . . 99.99 109.43 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 24.6 m -59.04 -36.4 74.96 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.489 1.116 . . . . 99.99 112.504 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 tt -72.12 89.0 1.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.538 0.735 . . . . 99.99 109.351 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.02 134.95 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 171.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 48.6 mm -76.75 103.57 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.164 0.586 . . . . 99.99 110.64 -171.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.8 141.25 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 108.061 -1.088 . . . . 99.99 108.061 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 9.9 t -65.36 128.34 35.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.331 0.652 . . . . 99.99 111.118 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.81 114.96 9.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.17 -0.678 . . . . 99.99 109.17 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.4 157.11 45.6 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.788 0.835 . . . . 99.99 109.758 -171.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 61.0 m80 73.37 -178.01 0.19 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.285 1.434 . . . . 99.99 111.385 -171.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -141.03 -166.7 2.22 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.158 1.383 . . . . 99.99 107.968 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.77 -25.27 62.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.566 0.746 . . . . 99.99 111.31 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 68.06 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.53 1.532 . . . . 99.99 113.696 163.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 41.3 t -62.14 -37.21 84.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.91 0.884 . . . . 99.99 111.554 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.559 ' HG3' ' H ' ' E' ' 399' ' ' VAL . 6.8 tp-100 -120.33 132.71 55.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.0 -1.111 . . . . 99.99 108.0 174.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 10.7 tt -84.02 11.66 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 124.028 0.931 . . . . 99.99 110.513 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.559 ' H ' ' HG3' ' E' ' 397' ' ' GLN . 21.7 m 50.13 28.37 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 126.759 2.023 . . . . 99.99 113.31 177.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . -126.89 70.07 73.37 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 116.299 -0.41 . . . . 99.99 111.107 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.704 ' HG2' ' HA ' ' E' ' 404' ' ' LYS . 29.1 Cg_endo -67.15 148.0 80.16 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.48 1.453 . . . . 99.99 109.588 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -52.59 -48.47 66.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.538 1.135 . . . . 99.99 113.389 -166.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.5 m -120.43 10.71 11.25 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 123.498 0.719 . . . . 99.99 110.247 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.704 ' HA ' ' HG2' ' E' ' 401' ' ' PRO . 55.4 mmtt 62.98 179.61 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.45 1.1 . . . . 99.99 111.968 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -105.23 96.46 11.44 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 107.344 -1.354 . . . . 99.99 107.344 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.81 -23.62 72.85 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 123.637 2.891 . . . . 99.99 115.132 -169.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . 83.82 155.94 22.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 123.252 0.345 . . . . 99.99 112.43 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt 60.07 87.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.542 1.137 . . . . 99.99 110.694 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . 0.624 HG21 ' HG3' ' E' ' 231' ' ' LYS . 15.0 t -82.86 3.27 30.36 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.29 0.636 . . . . 99.99 111.263 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 51.26 18.86 0.66 Allowed 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 127.156 2.183 . . . . 99.99 113.71 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 53.53 21.99 2.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.881 1.272 . . . . 99.99 112.314 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 54.89 68.88 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.044 1.338 . . . . 99.99 110.963 -172.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 16.5 m120 69.09 4.81 4.74 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.47 1.285 . . . . 99.99 114.47 170.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 58.6 p -94.96 -24.76 16.81 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.584 0.629 . . . . 99.99 110.398 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.28 -80.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 125.508 1.523 . . . . 99.99 110.544 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.3 5.85 9.67 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.238 1.015 . . . . 99.99 109.956 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 89.19 -67.74 2.83 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.487 -1.045 . . . . 99.99 110.487 -165.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 66.66 -70.14 0.11 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.526 1.531 . . . . 99.99 111.712 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.55 74.23 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.352 0 CA-C-O 122.203 1.001 . . . . 99.99 111.24 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 58.5 mtt -136.76 -20.77 1.3 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.147 0.979 . . . . 99.99 111.006 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 30.5 m -63.91 -38.38 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.688 0.395 . . . . 99.99 110.76 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 66.4 mtt 67.59 -7.28 0.58 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.882 1.673 . . . . 99.99 114.186 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 48.0 t 52.51 83.4 0.06 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.532 1.133 . . . . 99.99 110.013 -174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' D' ' 70' ' ' GLU . 9.7 t80 -58.13 -62.89 1.49 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.531 0.732 . . . . 99.99 110.927 -166.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 57.47 23.98 50.74 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.789 1.075 . . . . 99.99 115.789 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -80.47 -54.02 6.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.625 0.77 . . . . 99.99 109.145 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 37.5 t -154.11 98.68 2.17 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.243 -1.392 . . . . 99.99 107.243 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.02 107.57 0.89 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.422 1.106 . . . . 99.99 111.084 -176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' D' ' 71' ' ' GLU . 26.1 mt-10 -79.18 7.55 7.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.576 1.55 . . . . 99.99 112.014 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -46.87 -31.32 3.01 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.607 1.563 . . . . 99.99 112.762 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 35.5 t -60.86 -25.88 66.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.801 0.84 . . . . 99.99 112.976 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -63.69 -43.7 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.609 0.764 . . . . 99.99 111.753 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.05 -27.03 67.78 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.205 0.316 . . . . 99.99 110.983 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -83.82 68.41 9.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.111 0.958 . . . . 99.99 110.3 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . 0.416 HG22 ' H ' ' E' ' 437' ' ' SER . 83.5 m -152.82 -62.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 106.702 -1.592 . . . . 99.99 106.702 175.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.19 7.17 30.29 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 115.169 -0.923 . . . . 99.99 114.33 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . 0.416 ' H ' HG22 ' E' ' 435' ' ' THR . 43.9 m 55.26 -148.28 0.49 Allowed 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.639 1.176 . . . . 99.99 110.69 -171.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.94 117.69 17.98 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.173 -0.677 . . . . 99.99 109.173 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.28 94.51 6.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.874 -0.787 . . . . 99.99 108.874 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.464 HH22 ' HB2' ' C' ' 48' ' ' SER . 66.0 mtt85 -78.35 -31.05 48.41 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.296 0.638 . . . . 99.99 111.158 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . 0.762 ' HA ' ' HA ' ' C' ' 45' ' ' ASP . 2.0 mp 57.37 -85.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.104 1.361 . . . . 99.99 109.38 -166.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 59.24 32.21 21.81 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.029 0.932 . . . . 99.99 112.36 174.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' E' ' 287' ' ' PRO . . . -72.56 75.08 1.07 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.72 0.772 . . . . 99.99 111.047 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.29 130.72 21.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.235 1.414 . . . . 99.99 107.632 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 179.39 155.07 14.12 Favored Glycine 0 C--O 1.24 0.512 0 O-C-N 124.188 0.93 . . . . 99.99 110.967 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.92 166.36 29.78 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.294 1.996 . . . . 99.99 110.487 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -79.38 19.58 0.59 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.091 0.404 . . . . 99.99 112.091 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 75.47 147.27 0.09 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.16 1.784 . . . . 99.99 112.523 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . 0.417 ' H ' HD11 ' C' ' 136' ' ' LEU . . . -163.35 123.12 2.17 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.996 0.919 . . . . 99.99 109.512 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.62 147.41 34.32 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.924 0.89 . . . . 99.99 109.047 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 5' ' ' ASN . 71.2 t -94.62 -60.57 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.323 0.649 . . . . 99.99 110.065 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.73 13.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 124.781 1.232 . . . . 99.99 109.336 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.69 84.35 0.37 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-N 116.149 -0.478 . . . . 99.99 113.109 -172.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 97' ' ' CYS . 1.8 pp -105.36 5.06 31.49 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.07 0.948 . . . . 99.99 111.286 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 14.6 t -68.19 169.96 9.43 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.451 0.701 . . . . 99.99 110.164 176.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 32.1 t70 71.76 -80.25 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.22 1.008 . . . . 99.99 110.712 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -84.41 94.62 8.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.125 0.488 . . . . 99.99 110.19 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 10.1 t -154.56 139.55 17.31 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.137 -0.938 . . . . 99.99 108.837 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -175.09 125.07 0.25 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.687 0.795 . . . . 99.99 109.55 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.659 ' HB2' ' HB2' ' A' ' 132' ' ' ASN . 33.6 mt -139.32 -75.86 0.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.145 -1.058 . . . . 99.99 108.145 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 15.46 95.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 128.52 2.728 . . . . 99.99 115.321 172.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . 0.6 ' HB3' HG22 ' A' ' 131' ' ' VAL . 39.8 p90 -66.36 124.5 22.89 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.906 -0.405 . . . . 99.99 109.906 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . 0.416 HG22 ' HA ' ' E' ' 137' ' ' THR . 10.8 t -97.04 17.29 17.34 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 121.324 0.583 . . . . 99.99 110.464 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' E' ' 136' ' ' LYS . 22.3 ptt? -111.12 96.14 5.96 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.13 0.972 . . . . 99.99 110.491 -177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -91.12 34.34 0.93 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.482 0.713 . . . . 99.99 110.47 177.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -143.52 -176.75 5.08 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 125.265 1.426 . . . . 99.99 108.398 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -73.65 165.67 24.67 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.463 0.649 . . . . 99.99 110.587 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.512 HD22 ' HB ' ' A' ' 40' ' ' VAL . 1.5 pt? -70.36 -174.03 0.79 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.033 0.933 . . . . 99.99 111.801 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -64.97 0.51 4.32 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 115.998 1.159 . . . . 99.99 115.998 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.88 -36.13 59.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.418 0.687 . . . . 99.99 111.677 171.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 19.0 tptm . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 118.89 -0.576 . . . . 99.99 109.841 -166.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.046 -0.353 . . . . 99.99 110.046 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -70.67 128.52 36.37 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.738 0.815 . . . . 99.99 110.557 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 69.17 -79.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.468 1.105 . . . . 99.99 111.486 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.9 143.95 45.57 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.06 0.544 . . . . 99.99 111.84 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.42 -74.95 0.17 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.288 1.035 . . . . 99.99 108.955 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -161.21 -80.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.43 0.692 . . . . 99.99 110.18 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 m -80.28 79.55 6.84 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.95 0.5 . . . . 99.99 110.544 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 52.6 -81.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.825 1.65 . . . . 99.99 112.704 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.52 134.93 23.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.337 1.055 . . . . 99.99 112.533 -174.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -156.66 138.36 14.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.615 0.766 . . . . 99.99 109.791 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 1.2 t80 -97.14 131.19 44.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.515 -0.92 . . . . 99.99 108.515 170.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' A' ' 85' ' ' SER . 24.2 tp60 -135.16 93.7 3.03 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.834 -0.802 . . . . 99.99 108.834 -177.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.626 HG12 ' HD2' ' A' ' 84' ' ' PHE . 48.7 mt -81.68 108.44 14.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.46 -1.311 . . . . 63.61 107.46 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.25 -37.71 52.55 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.755 0.659 . . . . 99.99 110.611 -171.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' HD12 ' A' ' 83' ' ' ILE . 76.1 ttt180 -169.62 121.94 0.72 Allowed 'General case' 0 CA--C 1.554 1.109 0 O-C-N 123.195 0.31 . . . . 87.02 111.539 -172.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -107.58 140.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 C-N-CA 123.966 0.907 . . . . 27.8 109.278 171.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' HB1' ' B' ' 28' ' ' ALA . 41.0 p90 -172.52 179.92 2.35 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.048 1.339 . . . . 37.37 109.645 -172.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -104.44 129.37 52.43 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.938 -0.764 . . . . 12.57 108.938 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HZ1' ' HG3' ' B' ' 29' ' ' PRO . 21.2 mtpp -85.63 -38.62 18.2 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.135 -0.691 . . . . 37.56 109.135 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.14 143.78 33.16 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.45 -1.25 . . . . 38.09 109.236 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 60.7 mt -141.76 144.65 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 125.291 1.437 . . . . 5.43 107.395 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -149.13 135.25 19.1 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.927 0.891 . . . . 6.92 109.284 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' SD ' ' A' ' 117' ' ' MET . 55.4 t80 -140.94 123.55 16.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.569 -1.641 . . . . 5.61 106.569 173.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -128.59 112.65 14.52 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.588 -0.523 . . . . 36.27 109.588 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -135.12 74.74 61.79 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.753 -0.832 . . . . 12.68 108.753 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.08 -25.49 16.02 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.63 2.22 . . . . 32.78 110.915 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -97.76 13.55 30.02 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.187 0.995 . . . . 80.05 109.762 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -52.15 -52.55 61.3 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 114.131 1.16 . . . . 31.49 114.131 -175.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.81 -12.52 9.77 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 121.634 1.556 . . . . 44.68 113.656 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.63 -24.59 15.02 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.401 0.681 . . . . 99.99 111.267 -172.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 73' ' ' ALA . 8.6 p -78.74 -18.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.574 0.75 . . . . 99.99 109.81 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.02 -30.77 71.36 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.343 -0.844 . . . . 99.99 110.351 170.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -75.98 -26.12 56.47 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.723 0.809 . . . . 99.99 110.517 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 71' ' ' GLU . 2.6 mmmp? -82.99 170.41 14.93 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.136 0.974 . . . . 99.99 111.828 176.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -57.21 127.43 31.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.356 1.462 . . . . 99.99 111.715 170.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -88.01 82.4 7.23 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.379 0.609 . . . . 99.99 109.439 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -147.32 59.2 4.66 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-N 115.319 -0.855 . . . . 99.99 110.301 170.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.51 139.63 38.05 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.312 2.008 . . . . 57.34 111.829 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -96.82 126.13 41.76 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 105.983 -1.858 . . . . 99.99 105.983 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' E' ' 468' ' ' LEU . 44.5 t -107.44 103.52 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.497 0.319 . . . . 48.36 111.268 -171.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -87.39 114.59 24.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.541 0.736 . . . . 99.99 109.442 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 42' ' ' LEU . 1.4 pt? -98.78 151.37 20.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.491 -0.929 . . . . 97.85 108.491 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -142.72 150.98 40.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.976 -0.75 . . . . 85.15 108.976 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' HG ' HG11 ' A' ' 131' ' ' VAL . 3.2 tm? -119.62 131.86 55.57 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.285 1.034 . . . . 99.99 109.309 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -144.04 154.24 43.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.966 0.906 . . . . 78.84 108.603 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -146.17 142.54 28.55 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.533 0.733 . . . . 43.33 110.009 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.36 108.87 9.46 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 123.896 0.878 . . . . 41.53 108.948 175.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 p -90.57 150.26 21.81 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.929 -0.767 . . . . 88.8 108.929 174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.4 t -160.17 162.99 34.01 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.244 1.018 . . . . 73.87 108.292 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -111.44 125.14 53.57 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.399 -0.963 . . . . 99.99 108.399 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' E' ' 444' ' ' TYR . 59.9 mt -83.05 -43.01 16.8 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.748 0.419 . . . . 99.99 110.006 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' E' ' 447' ' ' HIS . . . -168.34 -166.71 0.72 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.253 -0.885 . . . . 99.99 110.89 -174.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' E' ' 447' ' ' HIS . 3.5 m-20 -63.3 123.35 18.46 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.298 0.639 . . . . 99.99 109.902 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.623 ' HB3' HG23 ' E' ' 452' ' ' VAL . 7.3 m-20 72.78 -10.41 0.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 125.213 1.405 . . . . 99.99 112.426 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' E' ' 447' ' ' HIS . 58.3 t -112.3 118.96 59.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 108.843 -0.799 . . . . 99.99 108.843 -169.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' E' ' 454' ' ' LEU . 43.9 p90 -124.48 163.95 20.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 175.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -130.0 116.76 19.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 57.04 109.066 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG11 ' HD3' ' A' ' 103' ' ' PRO . 61.4 t -103.0 113.4 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 106.112 -1.81 . . . . 54.22 106.112 170.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.638 HG21 HH22 ' E' ' 440' ' ' ARG . 43.5 t -99.29 131.98 45.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.813 -0.81 . . . . 29.36 108.813 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.33 116.5 30.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.091 -1.448 . . . . 19.86 107.091 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' HG3' ' A' ' 79' ' ' GLN . 37.0 ttt-85 -107.42 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.931 -0.766 . . . . 99.99 108.931 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.6 t -103.04 132.53 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.51 0.724 . . . . 13.6 109.685 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 m -108.27 143.35 37.24 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.545 -0.909 . . . . 17.22 108.545 168.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.4 t -138.08 106.19 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 107.316 -1.364 . . . . 14.92 107.316 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.0 m -105.44 136.77 44.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.964 -0.754 . . . . 21.43 108.964 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.62 113.69 17.72 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.417 -0.957 . . . . 23.61 108.417 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 p -144.7 128.75 17.57 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.475 0.71 . . . . 57.75 110.129 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -91.45 86.25 6.01 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.891 -1.152 . . . . 99.99 107.891 173.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.74 -85.9 1.53 Allowed Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.077 -0.965 . . . . 93.1 110.821 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.27 -10.35 3.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.102 0.961 . . . . 99.99 110.478 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 34' ' ' LYS . 7.7 mp0 -76.3 109.41 9.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 109.662 -0.496 . . . . 99.99 109.662 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -71.04 122.34 19.87 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.144 -0.317 . . . . 30.12 110.144 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' A' ' 31' ' ' VAL . . . -79.86 -50.96 9.74 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.473 -0.936 . . . . 22.88 108.473 173.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -170.29 167.25 8.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 113.788 -1.551 . . . . 30.01 110.049 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -132.99 141.56 48.36 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.463 -1.31 . . . . 14.44 107.463 174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.6 m -141.53 129.11 21.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.043 0.937 . . . . 14.43 108.982 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -147.3 124.93 11.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.691 0.396 . . . . 35.14 109.993 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.7 t -130.39 112.86 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.73 0.812 . . . . 9.47 109.357 -176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 8.4 tt0 -87.06 81.44 8.06 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 108.059 -1.089 . . . . 43.33 108.059 174.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 106' ' ' LEU . 7.2 tp-100 -74.7 101.09 4.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.383 1.073 . . . . 15.31 109.352 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.08 144.05 19.15 Favored Glycine 0 C--N 1.343 0.961 0 N-CA-C 112.164 -0.374 . . . . 20.02 112.164 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.6 129.19 4.23 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 41.88 110.697 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 15' ' ' ARG . 52.1 mt -88.01 120.04 36.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 108.241 -1.022 . . . . 66.87 108.241 173.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.626 ' HD2' HG12 ' A' ' 13' ' ' ILE . 35.0 m-85 -127.95 142.15 51.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 109.012 -0.736 . . . . 77.52 109.012 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 3.6 t -123.41 112.12 17.16 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 124.016 0.926 . . . . 99.99 108.857 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 89' ' ' ILE . 5.5 tp -142.01 141.35 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 113.462 0.912 . . . . 99.99 113.462 -177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.07 178.03 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 127.86 2.464 . . . . 99.99 109.129 168.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.67 -27.22 21.49 Favored Glycine 0 N--CA 1.48 1.586 0 N-CA-C 111.008 -0.837 . . . . 99.99 111.008 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -112.27 148.1 15.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 125.874 1.67 . . . . 99.99 107.189 170.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 6.8 tp10 -138.81 -175.6 4.2 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 122.865 0.466 . . . . 99.99 109.965 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.7 -147.06 34.81 Favored Glycine 0 C--N 1.349 1.28 0 C-N-CA 123.267 0.46 . . . . 99.99 112.747 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 p -64.65 -20.23 66.17 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.45 0.7 . . . . 99.99 112.173 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.33 -53.0 41.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.691 0.396 . . . . 99.99 110.593 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.447 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -68.89 -39.7 79.62 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 -177.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.34 -58.15 9.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.846 0.858 . . . . 99.99 111.81 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -70.15 -20.7 63.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.693 -0.67 . . . . 99.99 111.271 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 42.5 t -58.47 -47.9 82.53 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.629 0.65 . . . . 99.99 109.365 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.642 ' HB2' ' HB ' ' E' ' 458' ' ' THR . 31.6 mt -70.8 -27.48 63.92 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.527 -0.76 . . . . 99.99 112.251 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.06 -5.67 14.83 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 116.067 1.187 . . . . 99.99 116.067 -172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -149.25 -66.62 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 118.689 1.245 . . . . 95.56 112.715 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 48.8 t80 -58.17 -37.56 74.96 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.87 1.268 . . . . 94.48 113.531 -174.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 97' ' ' CYS . 87.9 m -72.31 -51.08 8.03 Favored Pre-proline 0 N--CA 1.491 1.575 0 CA-C-O 118.672 -0.68 . . . . 73.2 112.234 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.582 ' HD3' HG11 ' A' ' 58' ' ' VAL . 36.8 Cg_endo -67.09 -5.86 14.67 Favored 'Trans proline' 0 C--N 1.391 2.793 0 CA-C-N 121.32 1.507 . . . . 48.9 113.651 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.32 -47.76 63.47 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.485 0.314 . . . . 94.19 110.903 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' A' ' 108' ' ' PRO . 9.3 tp -69.81 -24.22 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 122.338 0.255 . . . . 55.88 110.793 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 103' ' ' PRO . 73.6 mt -68.87 -26.86 65.34 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.341 0.656 . . . . 21.71 112.113 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -67.44 -41.72 33.63 Favored Pre-proline 0 CA--C 1.562 1.44 0 N-CA-C 114.239 1.2 . . . . 15.39 114.239 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 32.0 Cg_exo -60.9 -34.79 90.62 Favored 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 121.791 1.661 . . . . 9.95 113.11 172.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -71.07 -43.4 67.85 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.037 0.535 . . . . 20.66 111.2 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.05 92.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.56 0.537 . . . . 7.34 110.122 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -56.48 -56.45 21.03 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.113 0.883 . . . . 15.45 110.168 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -66.65 -29.46 69.49 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.313 1.008 . . . . 46.26 111.147 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' B' ' 120' ' ' ARG . 41.9 t -68.46 -40.95 80.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.838 0.455 . . . . 4.41 111.087 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.68 -39.34 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 124.171 0.988 . . . . 7.34 109.931 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.433 HG21 ' HE2' ' C' ' 109' ' ' TYR . 26.2 m -66.56 -37.11 84.26 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.971 0.908 . . . . 7.28 110.844 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -65.61 -41.62 92.53 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.587 0.708 . . . . 4.96 109.835 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 23' ' ' PHE . 23.9 ttp -72.94 -35.46 66.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.697 -1.138 . . . . 48.88 111.723 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.89 -35.33 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.803 0.441 . . . . 26.6 110.604 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.7 p -72.6 -27.99 62.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.779 0.432 . . . . 17.97 110.719 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.596 ' HD3' ' SG ' ' B' ' 113' ' ' CYS . 81.5 mtt-85 -70.13 -27.72 64.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.501 0.721 . . . . 8.38 110.64 171.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -83.12 5.31 77.17 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.747 0.655 . . . . 6.18 113.056 172.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.0 m 61.89 21.89 12.62 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.777 1.231 . . . . 20.1 110.87 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -85.54 152.55 57.58 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.52 -0.919 . . . . 13.71 108.52 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.477 ' HG3' ' HB1' ' E' ' 130' ' ' ALA . 69.5 Cg_exo -54.36 154.97 17.42 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.921 2.414 . . . . 20.05 113.801 178.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -53.96 115.62 2.12 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.872 0.732 . . . . 39.31 109.631 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.7 tp -116.97 113.09 21.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.146 0.578 . . . . 56.76 109.673 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -108.74 118.34 36.54 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.65 -1.241 . . . . 38.41 107.65 174.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.575 ' HA ' HD11 ' E' ' 468' ' ' LEU . 2.4 pt? -76.37 159.22 30.7 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.947 0.499 . . . . 62.97 112.048 177.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.477 ' N ' HD21 ' E' ' 468' ' ' LEU . . . -63.67 157.3 67.3 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 125.172 1.389 . . . . 56.46 111.427 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -83.35 139.35 9.16 Favored 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.927 1.751 . . . . 77.42 112.042 -176.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 ' HG ' ' A' ' 44' ' ' LEU . 59.2 t -100.73 114.66 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 106.647 -1.612 . . . . 99.99 106.647 169.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 135' ' ' ALA . 4.4 m-20 -85.62 88.24 7.5 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.152 0.581 . . . . 99.99 110.315 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -74.1 -51.3 16.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.898 -1.046 . . . . 99.99 109.312 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.78 -37.59 59.07 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.379 -1.282 . . . . 99.99 111.174 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 132' ' ' ASN . . . -68.64 -20.1 64.45 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.542 -0.266 . . . . 99.99 111.696 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.14 -36.8 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.149 -0.686 . . . . 99.99 109.149 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -61.28 -49.89 75.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.08 0.552 . . . . 99.99 110.452 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.4 mmt -68.7 -30.66 69.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.476 0.71 . . . . 99.99 111.588 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 36.7 t30 -60.66 -47.76 84.79 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.049 0.94 . . . . 99.99 110.316 173.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -71.27 -31.56 67.64 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.266 -0.879 . . . . 99.99 111.056 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 31.9 tp -67.24 -50.64 59.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 122.704 0.402 . . . . 99.99 111.242 -173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.668 HE21 ' HA3' ' C' ' 146' ' ' GLY . 52.1 tp60 -174.09 18.73 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.753 0.821 . . . . 99.99 110.152 174.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 139' ' ' ASN . 78.1 mt-30 63.83 9.46 4.49 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.781 1.232 . . . . 99.99 112.973 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 71.6 -46.5 0.64 Allowed 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 125.945 1.698 . . . . 99.99 112.135 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 76.47 -81.49 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.636 1.575 . . . . 99.99 112.094 166.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -103.48 27.8 18.31 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 120.051 -0.305 . . . . 99.99 113.357 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 64.78 -87.61 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.199 1.4 . . . . 99.99 110.571 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.14 -58.4 0.13 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.542 -1.023 . . . . 99.99 110.542 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.754 HG23 HG21 ' C' ' 92' ' ' THR . 12.5 m 55.04 -128.58 2.19 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 124.81 1.244 . . . . 99.99 111.648 170.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.33 -78.08 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 124.771 1.228 . . . . 99.99 110.642 -167.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 60.64 68.74 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.579 1.151 . . . . 99.99 113.092 164.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -91.49 83.99 5.48 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.906 -0.775 . . . . 99.99 108.906 169.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -98.84 38.17 1.41 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.683 0.793 . . . . 99.99 109.977 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.78 108.24 0.55 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.686 1.195 . . . . 99.99 110.867 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 124.035 0.934 . . . . 99.99 108.73 178.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.698 -0.482 . . . . 99.99 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 60.95 23.12 13.25 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 113.532 0.938 . . . . 99.99 113.532 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 71.67 -66.37 0.3 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.408 1.483 . . . . 99.99 112.918 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -66.76 -41.83 87.11 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.847 0.459 . . . . 99.99 110.681 -174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -85.5 76.25 10.07 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.869 0.842 . . . . 99.99 109.488 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.29 161.4 36.34 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.02 0.928 . . . . 99.99 109.594 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 62.1 p 53.5 34.32 18.1 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.097 1.359 . . . . 99.99 110.36 -174.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.62 159.55 34.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 114.496 -1.229 . . . . 99.99 111.171 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' B' ' 10' ' ' THR . 0.6 OUTLIER 66.49 164.64 0.19 Allowed 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.419 1.488 . . . . 99.99 110.679 -176.05 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 32.6 p -140.09 119.45 12.98 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 107.548 -1.278 . . . . 99.99 107.548 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -126.72 120.03 28.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.539 0.609 . . . . 93.55 109.563 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -161.66 140.76 9.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.095 0.558 . . . . 99.99 110.814 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.1 mt -89.72 116.44 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.336 1.055 . . . . 40.88 108.671 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.16 -50.29 5.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.662 0.385 . . . . 85.25 110.84 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -160.51 139.93 10.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.686 0.394 . . . . 95.33 110.675 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.79 136.85 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 107.777 -1.194 . . . . 13.6 107.777 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -173.38 157.48 3.31 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.904 0.383 . . . . 23.1 111.681 -176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 87.6 m -83.65 128.24 34.38 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.45 0.7 . . . . 6.51 109.517 173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -96.74 -18.19 19.8 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.399 0.68 . . . . 19.94 111.494 175.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -162.17 144.09 11.02 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.827 0.346 . . . . 37.8 111.725 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -130.86 148.08 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.888 1.275 . . . . 5.14 108.854 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 35.0 t -147.03 117.57 7.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.33 -1.305 . . . . 19.25 108.685 168.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 75.4 t80 -127.53 137.22 52.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.975 -1.12 . . . . 9.84 107.975 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 75' ' ' LEU . 38.6 mt-10 -138.01 145.45 41.88 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.274 -1.38 . . . . 50.65 107.274 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -137.25 87.82 17.91 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 107.895 -1.15 . . . . 18.09 107.895 176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.68 -47.17 16.98 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.602 2.201 . . . . 31.77 111.629 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 21.4 m-80 -105.15 29.31 6.49 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.892 -1.049 . . . . 49.39 110.315 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -35.84 -51.36 1.55 Allowed Pre-proline 0 N--CA 1.497 1.895 0 N-CA-C 115.374 1.62 . . . . 51.5 115.374 175.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.551 ' HG3' ' HZ1' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -83.82 -29.64 0.96 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.379 2.053 . . . . 70.98 113.118 176.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 70.5 t60 -72.17 -36.97 69.44 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.213 1.005 . . . . 99.99 111.977 -172.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' B' ' 123' ' ' PHE . 17.3 m -66.63 -6.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.826 1.25 . . . . 99.99 114.086 -175.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.84 -26.59 65.94 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.35 0.66 . . . . 99.99 111.199 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 2.9 pt20 -74.58 -27.18 60.38 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.985 0.914 . . . . 99.99 111.908 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.58 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 89.8 mttt -108.75 109.21 20.3 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.989 . . . . 98.87 111.08 -173.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.01 111.36 18.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.831 0.453 . . . . 99.99 111.123 172.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -169.3 -172.88 1.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.48 1.112 . . . . 99.99 110.075 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.45 101.75 0.8 Allowed Pre-proline 0 CA--C 1.559 1.313 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -60.87 156.02 46.09 Favored 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 122.235 1.957 . . . . 63.52 115.089 -171.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.6 107.13 1.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 113.554 -1.657 . . . . 99.99 108.579 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.42 HG21 HG23 ' E' ' 6' ' ' ILE . 7.0 m -106.41 145.04 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.657 0.741 . . . . 72.1 112.069 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 52.8 mtpt -135.7 143.3 45.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.815 1.646 . . . . 99.99 107.886 175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' E' ' 6' ' ' ILE . 4.3 mm? -116.07 146.45 42.19 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.196 -1.039 . . . . 96.73 108.196 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -140.76 130.21 23.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.739 -1.578 . . . . 92.63 106.739 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 HD22 ' E' ' 8' ' ' LEU . 48.1 mt -115.4 141.85 47.49 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.788 0.328 . . . . 67.27 111.123 -165.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -146.91 155.24 42.14 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.953 0.901 . . . . 58.71 109.245 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.438 HG21 ' CG ' ' E' ' 15' ' ' PHE . 60.6 m -143.18 141.79 31.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.693 0.797 . . . . 66.97 109.734 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 154.68 46.55 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.453 1.101 . . . . 35.64 108.405 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.9 p -144.71 165.13 28.94 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.125 0.42 . . . . 74.75 111.556 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -152.47 143.08 22.78 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.876 0.87 . . . . 43.74 109.836 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -88.71 133.97 34.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.307 0.643 . . . . 89.61 110.133 175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.97 -44.8 5.62 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.366 0.666 . . . . 71.01 109.249 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.73 -175.59 5.51 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.319 -1.309 . . . . 85.91 109.456 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -73.37 123.94 24.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.745 -0.661 . . . . 99.99 109.909 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 69.39 -6.14 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.681 1.592 . . . . 99.99 112.688 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.27 104.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.953 -1.128 . . . . 76.71 107.953 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.555 ' HE1' ' HB2' ' B' ' 87' ' ' ALA . 49.7 m-85 -119.34 170.41 9.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.593 -0.891 . . . . 98.07 108.593 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -139.38 105.59 5.25 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.086 -1.45 . . . . 46.84 107.086 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -103.54 136.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.281 -0.872 . . . . 57.34 109.589 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.406 ' O ' HG23 ' B' ' 46' ' ' THR . 15.0 t -118.32 144.59 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.541 1.137 . . . . 21.57 108.702 -172.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.676 HD21 HD11 ' E' ' 8' ' ' LEU . 58.8 tp -127.63 111.86 14.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.427 -0.583 . . . . 62.33 109.427 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' HG2' ' B' ' 79' ' ' GLN . 24.4 ttp180 -93.88 121.32 35.22 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.73 0.776 . . . . 95.32 110.762 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 62.8 t -109.01 105.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 113.825 -1.534 . . . . 14.84 107.799 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 134.64 40.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.0 -1.111 . . . . 28.15 108.0 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.83 128.03 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.073 0.949 . . . . 18.14 108.533 -175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.1 m -107.07 143.74 34.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.449 -0.945 . . . . 24.35 108.449 164.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.54 138.34 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.301 -1.37 . . . . 26.44 107.301 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.584 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 46.6 m -138.82 128.54 24.84 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.334 0.654 . . . . 56.64 109.424 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.52 109.88 22.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.663 -1.606 . . . . 62.67 106.663 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.77 -124.71 6.63 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.638 -0.71 . . . . 81.37 111.69 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -99.66 4.04 45.44 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.341 0.656 . . . . 99.99 109.94 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -125.8 139.8 53.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.67 0.788 . . . . 99.99 111.156 -163.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 92.8 m -67.02 116.22 7.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.908 0.755 . . . . 33.32 111.277 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.584 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -77.66 -62.9 1.51 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.216 1.006 . . . . 25.99 109.19 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -150.5 162.44 40.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.182 -0.917 . . . . 18.76 111.892 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . 32.4 mt -126.17 112.3 15.63 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 106.373 -1.714 . . . . 16.93 106.373 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 51.1 t -118.28 140.38 49.9 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.958 -0.756 . . . . 12.76 108.958 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 32.6 tt0 -155.83 138.72 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.744 -0.465 . . . . 30.38 109.744 -170.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.716 HG21 ' HB3' ' B' ' 113' ' ' CYS . 90.0 t -140.33 151.47 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.21 1.004 . . . . 8.91 108.825 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' B' ' 61' ' ' ARG . 18.3 mt-30 -118.84 104.68 10.77 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.457 -0.942 . . . . 33.15 108.457 166.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.563 ' HB2' ' HB2' ' B' ' 110' ' ' ALA . 8.2 tp-100 -88.07 102.71 15.04 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.526 -0.916 . . . . 11.26 108.526 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.8 157.0 27.0 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 115.124 -0.943 . . . . 11.78 111.42 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.88 125.51 1.92 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.102 -0.799 . . . . 23.01 111.102 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.96 127.47 39.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.417 -1.327 . . . . 39.34 107.417 172.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -141.91 135.06 29.07 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.357 -0.979 . . . . 63.88 108.357 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.4 p -88.34 89.08 7.84 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 107.063 -1.458 . . . . 82.93 107.063 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' B' ' 10' ' ' THR . 27.1 pt -138.29 114.11 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.223 1.009 . . . . 98.2 110.948 -172.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.555 ' HB2' ' HE1' ' B' ' 56' ' ' TYR . . . -158.22 163.08 37.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.262 0.625 . . . . 99.99 110.729 172.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.09 -30.09 10.54 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.77 0.669 . . . . 99.99 112.871 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 tt -74.18 127.97 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.539 0.735 . . . . 99.99 111.183 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -151.2 174.69 12.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.397 1.079 . . . . 99.99 110.334 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.09 -136.56 22.75 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 115.808 -0.633 . . . . 99.99 113.281 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -71.65 -36.35 70.67 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.45 0.7 . . . . 99.99 111.868 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.26 -44.83 92.39 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.704 0.628 . . . . 99.99 110.586 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.496 ' HE3' HG12 ' E' ' 18' ' ' VAL . 23.8 ttt -67.09 -38.61 85.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.243 1.017 . . . . 99.99 111.474 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.87 93.81 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.347 -0.842 . . . . 99.99 111.735 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.21 -32.81 29.65 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.029 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 101' ' ' TYR . 44.9 t -67.63 -64.56 0.83 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.859 0.463 . . . . 99.99 111.379 -174.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.48 -27.57 65.33 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.862 -0.608 . . . . 71.23 110.546 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.32 -9.54 72.69 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.027 -0.874 . . . . 59.87 115.179 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 134' ' ' ASP . . . -157.0 -59.56 0.09 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 118.566 1.183 . . . . 71.19 112.392 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.533 ' HB3' ' HA ' ' B' ' 97' ' ' CYS . 57.6 t80 -54.07 -51.84 62.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.724 1.61 . . . . 99.99 113.268 -168.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 60.9 m -76.26 -46.59 3.54 Favored Pre-proline 0 CA--C 1.563 1.459 0 CA-C-O 118.88 -0.581 . . . . 50.37 111.552 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -49.15 -33.37 27.27 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 122.552 2.168 . . . . 36.29 115.205 169.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.19 -31.55 67.4 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.424 0.69 . . . . 87.59 112.366 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 mt -84.37 -26.99 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.67 0.788 . . . . 37.19 110.12 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.68 -19.8 30.34 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.677 0.791 . . . . 13.07 111.895 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . 0.427 ' HZ ' ' HE1' ' B' ' 133' ' ' PHE . 19.4 m-30 -58.4 -54.2 58.4 Favored Pre-proline 0 N--CA 1.492 1.657 0 CA-C-O 117.884 -1.055 . . . . 99.99 112.701 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.33 -33.89 68.02 Favored 'Trans proline' 0 C--N 1.394 2.941 0 C-N-CA 122.487 2.125 . . . . 10.37 114.302 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . 0.523 ' HE2' HG21 ' D' ' 115' ' ' THR . 95.6 m-85 -78.41 -50.4 11.78 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.974 0.909 . . . . 12.29 112.188 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 80' ' ' GLN . . . -62.05 -34.06 75.56 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.945 0.402 . . . . 8.75 110.2 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -66.09 -50.69 63.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.476 -1.238 . . . . 59.14 110.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -64.39 -37.88 89.06 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 110.071 -0.344 . . . . 51.9 110.071 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.716 ' HB3' HG21 ' B' ' 78' ' ' VAL . 0.8 OUTLIER -55.82 -50.52 70.29 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 124.324 1.015 . . . . 13.3 111.165 174.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.518 ' O ' HG23 ' B' ' 118' ' ' VAL . 53.6 mt -65.41 -49.18 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 123.288 0.635 . . . . 9.86 110.704 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 28.0 m -57.77 -34.58 69.72 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.806 0.842 . . . . 13.13 111.071 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 120' ' ' ARG . 33.3 t -72.43 -38.41 68.35 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.406 0.682 . . . . 8.02 110.573 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.553 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 20.5 mmt -72.51 -28.19 62.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.753 0.421 . . . . 26.78 110.829 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 114' ' ' ILE . 59.5 t -64.56 -43.63 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 109.346 -0.613 . . . . 13.3 109.346 169.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 16.6 m -66.42 -29.95 70.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.059 0.944 . . . . 29.79 111.753 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 113' ' ' CYS . 19.1 mmt180 -66.89 -44.26 81.32 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.885 0.874 . . . . 11.55 110.637 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.46 4.0 65.6 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 116.152 -0.476 . . . . 16.97 113.179 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p 59.2 37.65 23.78 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.131 1.772 . . . . 23.15 112.539 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.474 ' CE1' HG21 ' B' ' 31' ' ' VAL . 84.1 m-85 -89.01 164.16 32.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.834 1.254 . . . . 23.84 110.075 172.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.45 125.93 20.8 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 122.707 2.271 . . . . 29.89 111.613 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' B' ' 125' ' ' GLN . 0.0 OUTLIER -64.76 124.67 22.56 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.346 0.659 . . . . 99.99 112.031 -176.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.67 114.42 22.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.491 1.116 . . . . 72.13 109.248 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -93.19 121.13 34.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.291 -1.003 . . . . 73.04 108.291 174.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' E' ' 6' ' ' ILE . 20.7 mt -63.18 137.63 58.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.959 0.787 . . . . 90.81 110.6 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.21 150.92 72.01 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.775 0.83 . . . . 43.15 110.973 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.536 ' HG2' HG21 ' E' ' 306' ' ' VAL . 49.5 Cg_endo -69.29 106.85 1.64 Allowed 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.448 2.099 . . . . 61.27 111.403 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.425 HG11 ' H ' ' E' ' 8' ' ' LEU . 7.6 p -91.02 120.59 40.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.582 0.753 . . . . 99.57 110.934 -173.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . 0.408 ' HB2' ' HA3' ' E' ' 76' ' ' GLY . 13.4 m-80 -109.08 68.9 0.69 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.782 -1.192 . . . . 99.99 107.782 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' B' ' 136' ' ' LEU . 32.7 p90 -88.03 -6.34 58.01 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.369 -1.287 . . . . 99.99 111.927 -171.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 100' ' ' ALA . 8.8 p-10 -61.61 -41.53 97.58 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.471 0.653 . . . . 99.99 110.265 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.45 29.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.712 1.205 . . . . 99.99 111.61 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' B' ' 133' ' ' PHE . 4.0 tt -51.27 -44.16 61.75 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.156 0.982 . . . . 99.99 110.123 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -56.5 -46.92 80.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.55 0.74 . . . . 99.99 111.071 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.95 75.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.029 0.932 . . . . 99.99 110.435 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -84.91 -7.59 59.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.584 1.154 . . . . 99.99 111.272 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.73 -25.17 21.3 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.1 -0.704 . . . . 99.99 109.1 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -92.39 34.28 1.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.33 1.052 . . . . 99.99 110.12 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.77 36.4 0.55 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.124 0.97 . . . . 99.99 111.742 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -58.32 110.27 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.996 0.918 . . . . 99.99 110.009 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 58.79 51.2 7.78 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.567 1.167 . . . . 99.99 110.451 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 61.97 93.45 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.59 1.556 . . . . 99.99 112.549 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 78.83 -78.43 1.68 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-N 115.633 -0.712 . . . . 99.99 113.141 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.37 -37.22 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.839 0.856 . . . . 99.99 110.037 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' B' ' 152' ' ' HIS . . . 91.12 -60.85 3.01 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.891 -0.595 . . . . 99.99 113.832 174.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 15.2 t -60.13 -24.52 64.75 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.325 1.05 . . . . 99.99 113.793 -167.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . 0.578 ' HG3' ' HG3' ' B' ' 151' ' ' GLU . 11.3 tp10 -148.15 149.35 31.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.182 -0.673 . . . . 99.99 109.182 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.578 ' HG3' ' HG3' ' B' ' 150' ' ' GLU . 36.2 mt-10 72.8 -66.48 0.31 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.583 1.553 . . . . 99.99 111.575 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.55 ' HD2' ' HA2' ' B' ' 148' ' ' GLY . 24.5 t-80 65.1 -86.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.329 1.452 . . . . 99.99 109.937 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -145.19 -85.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.85 25.37 3.85 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.997 1.319 . . . . 99.99 113.538 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 123.638 0.775 . . . . 99.99 109.434 -176.519 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.87 -0.419 . . . . 99.99 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.494 ' H ' ' HB2' ' C' ' 8' ' ' GLU . 71.0 m 67.13 -172.47 0.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.705 1.202 . . . . 99.99 110.663 -167.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 56.7 74.88 0.38 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.067 0.947 . . . . 99.99 111.447 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 72.76 -20.81 0.26 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.311 1.444 . . . . 99.99 113.329 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -76.04 80.04 2.89 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.456 0.702 . . . . 99.99 110.294 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 4.5 t30 57.37 16.89 3.42 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.961 1.304 . . . . 99.99 111.461 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.6 m 70.19 -22.7 0.17 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 126.146 1.778 . . . . 99.99 113.686 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.494 ' HB2' ' H ' ' C' ' 2' ' ' SER . 3.5 tt0 59.48 97.65 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.454 1.502 . . . . 99.99 111.202 -171.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' C' ' 90' ' ' GLU . 45.7 ttp 63.51 121.38 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.643 1.177 . . . . 99.99 112.689 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.55 ' H ' ' HA3' ' C' ' 88' ' ' GLY . 27.6 m -83.61 83.45 7.9 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.418 -1.327 . . . . 99.99 107.418 170.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -124.46 125.24 43.92 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.515 -1.291 . . . . 99.99 107.515 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -157.04 111.49 2.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.041 -0.726 . . . . 99.99 109.041 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.538 HD12 ' OG1' ' E' ' 137' ' ' THR . 9.2 mt -75.9 102.78 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.742 -1.207 . . . . 56.3 107.742 170.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -72.07 -43.1 65.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.757 0.823 . . . . 93.16 110.849 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -173.28 157.04 3.28 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.861 0.726 . . . . 99.99 110.759 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 84.8 mt -121.29 147.16 25.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 107.52 -1.289 . . . . 11.74 107.52 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -174.52 166.68 3.91 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.43 0.633 . . . . 19.28 111.226 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 72.4 p -87.89 113.27 23.38 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.062 -0.972 . . . . 6.91 109.306 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -65.15 -41.48 94.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.939 0.876 . . . . 21.95 109.316 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 7.7 t70 -148.81 148.02 29.45 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 113.817 -1.538 . . . . 50.62 109.211 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 83.2 mt -138.67 152.66 24.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 125.616 1.566 . . . . 5.12 106.805 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.544 ' HB3' ' HB3' ' C' ' 77' ' ' GLU . 45.0 t -161.11 151.79 18.18 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.596 0.712 . . . . 9.28 109.907 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -149.87 132.77 16.08 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.251 -1.759 . . . . 8.82 106.251 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 43.4 mt-10 -131.0 132.52 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.148 -0.686 . . . . 30.58 109.148 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.41 77.33 35.23 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 107.711 -1.218 . . . . 12.04 107.711 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -73.56 -9.34 22.69 Favored 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 122.651 2.234 . . . . 30.41 111.479 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -124.84 41.06 3.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.786 1.234 . . . . 61.38 108.905 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.508 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -58.94 -46.06 99.55 Favored Pre-proline 0 CA--C 1.566 1.581 0 N-CA-C 114.191 1.182 . . . . 26.66 114.191 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -81.7 -34.56 0.5 Allowed 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 121.915 1.744 . . . . 35.22 112.573 168.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -67.98 -23.41 65.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.134 1.374 . . . . 48.75 112.691 -174.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.604 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 7.4 p -59.19 -39.61 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 122.953 0.501 . . . . 55.24 110.689 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -62.82 -28.6 70.12 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.799 0.687 . . . . 99.99 112.051 -171.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -97.49 4.63 50.4 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 112.926 0.713 . . . . 97.11 112.926 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 0.1 OUTLIER -97.08 173.66 7.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.492 0.587 . . . . 88.6 110.322 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.79 129.85 44.09 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.777 0.831 . . . . 99.99 110.026 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -83.57 63.87 7.61 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.209 0.604 . . . . 99.99 111.245 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.51 77.74 1.7 Allowed Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 108.348 -0.982 . . . . 99.99 108.348 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -83.57 150.45 13.08 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.587 2.192 . . . . 68.93 110.698 166.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.37 101.85 12.92 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 107.429 -1.322 . . . . 99.99 107.429 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.401 HG13 ' NE1' ' E' ' 290' ' ' TRP . 1.8 p -72.66 97.74 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-O 122.643 1.211 . . . . 87.15 108.462 171.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -101.73 119.37 38.67 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 113.591 -1.64 . . . . 99.99 108.519 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.423 HD23 ' H ' ' C' ' 42' ' ' LEU . 2.6 pt? -87.62 134.59 33.61 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.548 -0.908 . . . . 94.05 108.548 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -120.82 143.46 48.85 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 107.845 -1.169 . . . . 99.99 107.845 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.617 HD11 HD23 ' C' ' 60' ' ' LEU . 4.7 tt -138.39 121.99 17.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.996 -0.742 . . . . 71.87 108.996 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 13.8 t70 -113.18 120.71 42.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 106.723 -1.584 . . . . 92.17 106.723 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -114.59 137.45 51.87 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.067 0.46 . . . . 62.96 110.031 -171.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.1 156.49 43.05 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.239 -0.891 . . . . 35.73 109.725 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 21.7 p -148.83 141.4 24.39 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.468 0.707 . . . . 56.22 109.244 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 32.3 p -149.25 136.2 19.74 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.659 0.784 . . . . 43.42 109.86 -171.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -71.06 125.1 25.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.671 0.389 . . . . 99.99 110.141 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' C' ' 57' ' ' GLU . 87.4 mt -92.25 -38.28 12.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.638 . . . . 61.44 110.886 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -165.5 -163.99 0.71 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.932 0.493 . . . . 94.06 111.547 -171.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.85 104.23 0.09 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.789 1.235 . . . . 99.99 110.96 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 66.56 -0.01 1.68 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.086 1.354 . . . . 99.99 113.433 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 70.6 t -93.72 119.74 42.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.871 -0.788 . . . . 81.86 108.871 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.02 124.23 42.11 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.506 1.122 . . . . 99.99 108.105 174.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.544 ' HB2' HD11 ' C' ' 51' ' ' LEU . 45.1 tt0 -86.65 129.33 34.91 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.584 0.753 . . . . 35.21 109.545 174.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.545 ' HB ' ' HE1' ' C' ' 84' ' ' PHE . 52.9 t -106.01 123.36 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 107.871 -1.159 . . . . 29.6 107.871 172.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -121.39 131.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 109.14 -0.689 . . . . 20.9 109.14 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.617 HD23 HD11 ' C' ' 44' ' ' LEU . 5.8 mp -115.47 108.57 16.65 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.335 -0.987 . . . . 69.19 108.335 174.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 4.2 tmt_? -80.52 102.59 9.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 107.521 -1.288 . . . . 99.99 107.521 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.34 129.69 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.782 -1.192 . . . . 14.53 107.782 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.2 m -132.38 116.11 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.156 0.503 . . . . 20.42 110.364 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.526 HG23 HD13 ' C' ' 114' ' ' ILE . 70.7 t -101.15 110.15 27.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.417 -0.957 . . . . 17.7 108.417 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 22.1 m -98.24 143.33 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.985 . . . . 29.53 108.606 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.44 97.91 5.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.327 -1.731 . . . . 32.22 106.327 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -148.19 142.55 26.27 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.246 -0.649 . . . . 59.66 109.246 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -100.83 28.08 5.48 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.194 0.597 . . . . 97.29 110.561 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 -117.34 0.95 Allowed Glycine 0 C--N 1.344 0.973 0 N-CA-C 110.267 -1.133 . . . . 76.35 110.267 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -20.6 16.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.127 0.571 . . . . 99.99 109.898 169.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.23 98.06 2.56 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.672 0.789 . . . . 77.02 109.198 172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -89.37 135.31 33.66 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.321 -0.854 . . . . 37.0 111.717 -172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -59.67 2.68 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.241 1.017 . . . . 34.06 109.275 172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -162.41 176.52 10.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.425 -0.807 . . . . 39.96 110.696 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' C' ' 24' ' ' GLU . 3.3 tm? -144.49 146.75 32.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.456 -1.313 . . . . 16.54 107.456 -175.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.412 ' N ' HD13 ' C' ' 75' ' ' LEU . 47.5 t -150.5 150.28 31.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.995 0.918 . . . . 10.97 108.569 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' C' ' 22' ' ' SER . 39.8 tt0 -156.19 139.68 15.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.128 0.571 . . . . 36.61 110.481 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' C' ' 110' ' ' ALA . 27.8 t -144.1 113.69 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.942 1.297 . . . . 9.25 107.619 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 58.6 mt-30 -92.9 94.69 9.07 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.99 -1.115 . . . . 25.23 107.99 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' C' ' 110' ' ' ALA . 8.0 tp-100 -84.49 120.37 26.23 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.355 -176.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.43 153.18 17.24 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 116.026 -0.534 . . . . 10.6 112.284 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.46 ' HA3' HD21 ' C' ' 106' ' ' LEU . . . -146.17 124.48 2.05 Favored Glycine 0 CA--C 1.503 -0.705 0 N-CA-C 110.765 -0.934 . . . . 19.17 110.765 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 19.5 mm -89.74 118.06 34.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.563 -0.903 . . . . 30.38 108.563 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . 0.545 ' HE1' ' HB ' ' C' ' 58' ' ' VAL . 28.0 m-85 -130.43 117.94 20.43 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.918 0.762 . . . . 49.62 109.041 -174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -81.12 97.61 7.64 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.473 -1.306 . . . . 92.15 107.473 166.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' C' ' 10' ' ' THR . 0.0 OUTLIER -138.32 107.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 -177.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.16 21.96 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.807 -0.633 . . . . 99.99 111.262 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.55 ' HA3' ' H ' ' C' ' 10' ' ' THR . . . -70.11 -12.09 68.1 Favored Glycine 0 C--N 1.349 1.25 0 N-CA-C 115.642 1.017 . . . . 99.99 115.642 -173.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 66.28 98.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.498 1.119 . . . . 99.99 111.262 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.592 ' HB3' HE21 ' C' ' 93' ' ' GLN . 21.5 mm-40 -131.79 23.12 4.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.513 1.125 . . . . 99.99 110.049 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.52 -124.05 23.83 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.515 -0.766 . . . . 99.99 112.45 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.754 HG21 HG23 ' A' ' 149' ' ' THR . 42.8 p -79.67 -18.28 51.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.061 0.544 . . . . 99.99 111.701 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.592 HE21 ' HB3' ' C' ' 90' ' ' GLU . 8.9 tt0 -64.2 -51.28 64.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 122.941 0.496 . . . . 99.99 110.485 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.495 ' HA ' ' SG ' ' C' ' 97' ' ' CYS . 0.0 OUTLIER -63.98 -29.93 71.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 123.413 0.446 . . . . 99.99 111.838 179.049 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.02 51.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.999 0.519 . . . . 99.99 111.84 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -81.09 -33.02 33.64 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.012 0.525 . . . . 99.99 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' C' ' 94' ' ' MET . 26.4 p -74.6 -22.84 58.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.456 0.303 . . . . 99.99 110.459 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.512 HD21 HD13 ' E' ' 278' ' ' LEU . 66.0 tp -86.62 -37.44 18.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.948 0.499 . . . . 99.99 110.909 175.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.14 11.85 59.57 Favored Glycine 0 N--CA 1.473 1.16 0 CA-C-N 116.346 -0.388 . . . . 68.51 113.977 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.06 -68.17 0.1 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.517 0.727 . . . . 56.52 110.0 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -57.05 -42.88 81.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.634 1.346 . . . . 99.99 114.634 -169.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.459 ' HB2' ' HD3' ' C' ' 103' ' ' PRO . 81.8 m -70.42 -48.93 17.45 Favored Pre-proline 0 CA--C 1.566 1.585 0 CA-C-O 118.78 -0.628 . . . . 56.59 111.881 -175.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' C' ' 102' ' ' CYS . 47.2 Cg_exo -59.49 -30.27 92.09 Favored 'Trans proline' 0 C--N 1.391 2.784 0 C-N-CA 122.073 1.848 . . . . 39.21 113.184 169.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -77.27 -25.42 51.42 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.496 0.925 . . . . 71.72 113.496 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' C' ' 105' ' ' ILE . 6.0 mm -66.22 -34.46 70.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 110.072 -0.344 . . . . 8.71 110.072 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.46 HD21 ' HA3' ' C' ' 82' ' ' GLY . 82.1 mt -77.5 -20.2 54.67 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.859 -0.61 . . . . 37.06 111.647 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.61 -59.79 9.5 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-O 117.946 -1.026 . . . . 16.74 113.411 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.24 -31.6 84.68 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.113 1.876 . . . . 9.85 113.469 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 115' ' ' THR . 71.9 m-85 -71.48 -48.35 49.7 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.681 0.793 . . . . 5.88 110.679 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -64.47 -43.12 95.21 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.345 0.403 . . . . 7.64 110.836 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' C' ' 127' ' ' ASN . 53.3 ttt-85 -52.8 -57.39 10.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.908 1.683 . . . . 20.64 111.598 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.17 -26.13 60.11 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.73 -0.668 . . . . 38.86 110.82 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' D' ' 120' ' ' ARG . 9.9 t -69.31 -35.87 76.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.948 0.499 . . . . 13.9 110.67 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.526 HD13 HG23 ' C' ' 64' ' ' VAL . 92.9 mt -64.58 -50.76 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.785 0.834 . . . . 8.58 109.328 171.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 8.4 m -61.86 -30.92 71.18 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 123.991 0.807 . . . . 8.54 111.31 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 32.7 t -68.72 -41.64 78.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.561 0.744 . . . . 6.56 110.059 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.523 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -68.34 -32.44 72.54 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.67 0.788 . . . . 5.22 111.526 176.746 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 114' ' ' ILE . 89.6 t -65.71 -41.42 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 123.099 0.56 . . . . 28.53 109.491 173.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 43.5 t -69.35 -28.53 66.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.881 0.872 . . . . 17.6 111.756 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -76.62 -32.31 57.97 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.541 0.736 . . . . 7.72 110.327 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -78.21 -1.83 81.63 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.619 0.575 . . . . 10.8 112.307 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . . . . . . . . . 30.7 p 67.47 24.74 8.67 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.023 2.129 . . . . 15.17 112.768 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.65 152.47 41.94 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.528 1.131 . . . . 24.81 109.496 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.2 156.44 29.93 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.207 2.605 . . . . 29.42 114.139 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -56.3 115.26 2.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.705 1.202 . . . . 72.03 113.022 -173.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.01 90.19 3.24 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 108.325 -0.991 . . . . 59.85 108.325 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.473 ' HB3' ' NH2' ' C' ' 111' ' ' ARG . 19.9 m120 -104.03 130.38 51.69 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.657 0.783 . . . . 41.85 109.051 176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.63 145.96 55.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.345 0.658 . . . . 38.57 110.191 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.09 151.5 63.49 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.781 0.832 . . . . 24.62 111.382 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.89 122.73 7.45 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.545 2.83 . . . . 24.48 113.899 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.28 145.95 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.126 -1.065 . . . . 68.05 108.126 172.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -115.44 96.7 5.77 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.59 0.756 . . . . 99.99 109.303 168.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.64 -17.26 45.28 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.355 0.598 . . . . 99.99 110.205 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.68 -35.16 63.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.348 1.459 . . . . 99.99 110.735 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.13 67.15 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.23 1.012 . . . . 99.99 112.429 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.21 -27.68 69.23 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.536 0.734 . . . . 99.99 111.308 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -68.0 -35.12 77.8 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.014 0.525 . . . . 99.99 111.039 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' C' ' 138' ' ' MET . 1.2 mpt? -77.59 -34.65 53.49 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 99.99 110.149 177.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -69.35 -37.11 77.51 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.597 0.759 . . . . 99.99 110.673 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -46.56 -80.96 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.298 1.839 . . . . 99.99 110.94 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 34.9 tp -122.63 95.97 4.84 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 167.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.48 95.66 2.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.894 -0.78 . . . . 99.99 108.894 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -63.27 -71.64 0.16 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.896 -0.779 . . . . 99.99 108.896 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 40.3 32.17 0.12 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 126.119 1.768 . . . . 99.99 115.305 170.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -79.01 -48.98 13.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.717 0.407 . . . . 99.99 110.871 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . 0.668 ' HA3' HE21 ' A' ' 142' ' ' GLN . . . 84.19 -55.93 5.02 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 111.305 -0.718 . . . . 99.99 111.305 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.72 130.59 47.09 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.325 1.05 . . . . 99.99 108.647 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.56 34.81 0.54 Allowed Glycine 0 N--CA 1.469 0.877 0 O-C-N 123.195 0.31 . . . . 99.99 112.876 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 25.0 m -132.18 -25.17 2.02 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.821 0.848 . . . . 99.99 110.032 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 68.06 85.54 0.14 Allowed 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.62 1.568 . . . . 99.99 108.292 -170.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.715 ' HA ' ' HB3' ' C' ' 155' ' ' ALA . 0.0 OUTLIER -53.85 -48.09 70.33 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.322 -1.308 . . . . 99.99 114.529 -169.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 53.36 -88.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.151 0.98 . . . . 99.99 111.169 -170.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.66 51.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 106.882 -1.525 . . . . 99.99 106.882 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.27 -50.05 0.13 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.358 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' C' ' 151' ' ' GLU . . . . . . . . 0 C--O 1.253 1.249 0 CA-C-O 119.1 -0.476 . . . . 99.99 110.757 -177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.996 -0.05 . . . . 99.99 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -173.7 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.081 0.952 . . . . 99.99 109.236 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 137.2 52.31 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 99.99 110.421 -173.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 61.47 -91.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.391 1.476 . . . . 99.99 111.424 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -168.4 -142.02 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.076 0.95 . . . . 99.99 108.457 -173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.74 132.0 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.927 1.691 . . . . 99.99 112.352 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 36.2 m -122.52 -18.39 6.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.263 1.025 . . . . 99.99 110.431 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.84 152.59 42.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.451 0.7 . . . . 99.99 111.06 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -31.41 123.23 0.25 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.291 1.836 . . . . 99.99 113.697 -172.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -137.53 140.45 41.1 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.68 -0.859 . . . . 99.99 108.68 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . 0.466 ' H ' HG23 ' E' ' 307' ' ' THR . 6.3 t80 -137.51 107.11 6.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 105.758 -1.941 . . . . 76.43 105.758 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -114.87 115.12 26.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.95 0.5 . . . . 99.99 109.853 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.47 HD13 HG21 ' D' ' 105' ' ' ILE . 14.4 mt -78.7 100.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 108.135 -1.061 . . . . 41.34 108.135 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -74.48 -29.25 61.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.742 -0.663 . . . . 79.46 111.73 -168.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -167.52 121.93 1.0 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.199 -171.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.22 117.08 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.743 -1.206 . . . . 53.22 107.743 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -146.69 139.71 25.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.486 0.715 . . . . 19.87 110.513 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 74.8 p -74.81 111.84 10.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.458 -0.792 . . . . 8.43 108.914 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 34.0 mtpt -74.37 -26.94 60.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 110.299 -0.26 . . . . 36.9 110.299 176.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.607 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.4 t70 -157.44 143.88 17.93 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.26 0.975 . . . . 36.68 109.65 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.523 HG21 ' HE2' ' C' ' 117' ' ' MET . 79.3 mt -138.0 148.04 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.685 1.594 . . . . 4.02 106.867 173.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t -149.98 144.28 25.73 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.106 -1.072 . . . . 7.64 108.106 173.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 89.9 t80 -148.54 128.56 13.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.175 -1.787 . . . . 5.08 106.175 172.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -130.11 140.46 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.176 -1.046 . . . . 28.73 108.176 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' D' ' 28' ' ' ALA . . . -130.27 83.62 62.33 Favored Pre-proline 0 C--O 1.239 0.515 0 N-CA-C 107.319 -1.363 . . . . 7.19 107.319 172.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.73 -37.21 16.72 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.731 2.287 . . . . 13.41 112.166 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -104.99 21.08 17.71 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.707 0.803 . . . . 11.97 110.367 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' D' ' 25' ' ' ALA . . . -32.94 -69.17 0.14 Allowed Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 115.675 1.731 . . . . 12.01 115.675 -169.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.1 -10.74 15.08 Favored 'Trans proline' 0 C--N 1.385 2.467 0 CA-C-N 121.843 1.694 . . . . 20.55 113.186 -171.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -82.04 -47.29 12.8 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 125.234 1.414 . . . . 22.26 110.322 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' D' ' 73' ' ' ALA . 8.2 p -82.42 -9.04 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.2 -0.909 . . . . 34.6 111.341 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.63 ' HB3' ' HE1' ' E' ' 131' ' ' TRP . 20.6 m-30 -67.27 -16.27 64.18 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.845 0.858 . . . . 32.96 112.803 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.86 -32.3 70.57 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.673 0.789 . . . . 99.99 109.872 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.75 85.93 4.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.457 1.103 . . . . 31.63 109.787 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.4 90.48 6.76 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.464 -0.569 . . . . 99.99 109.464 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -165.14 179.36 6.38 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.013 1.325 . . . . 49.29 108.625 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.77 121.75 82.39 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 119.294 -0.384 . . . . 99.99 110.86 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.97 142.67 88.98 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.242 2.628 . . . . 31.29 113.527 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.02 111.52 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.491 -1.3 . . . . 99.99 107.491 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.62 HG23 HG13 ' D' ' 64' ' ' VAL . 2.9 p -119.0 120.4 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.64 0.733 . . . . 52.79 110.66 -168.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -104.15 119.11 38.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.835 1.254 . . . . 99.99 108.335 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.07 114.36 26.05 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.663 -0.865 . . . . 74.77 108.663 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' D' ' 63' ' ' THR . 15.5 t70 -106.22 142.53 35.76 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.231 -1.396 . . . . 99.99 107.231 174.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.423 ' N ' HD13 ' D' ' 44' ' ' LEU . 0.0 OUTLIER -133.83 143.73 48.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.707 0.403 . . . . 66.01 111.096 -166.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.04 137.35 18.51 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.017 -0.735 . . . . 79.72 109.017 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -105.76 143.58 33.71 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.992 -0.744 . . . . 77.52 108.992 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.15 149.35 31.83 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.844 -1.169 . . . . 38.8 107.844 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -157.35 155.9 31.4 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.686 -0.487 . . . . 48.36 109.686 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 68.6 p -154.38 130.43 10.26 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 109.045 -0.724 . . . . 52.73 109.045 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' E' ' 102' ' ' LEU . 65.0 tt0 -81.96 121.23 26.24 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.76 -0.83 . . . . 99.71 108.76 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.06 29.76 2.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.474 1.11 . . . . 82.32 108.959 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' D' ' 55' ' ' VAL . . . -170.24 169.18 7.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.558 -1.201 . . . . 96.95 110.467 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.81 132.23 53.63 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 9.15 4.42 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 124.692 1.197 . . . . 99.99 112.004 -168.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' D' ' 85' ' ' SER . 52.3 t -143.6 141.39 25.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.544 -0.91 . . . . 82.8 108.544 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . 0.42 ' CE2' HD13 ' D' ' 86' ' ' ILE . 0.7 OUTLIER -134.44 173.21 11.89 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 124.054 0.942 . . . . 99.99 109.371 176.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.99 132.48 56.58 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.451 -0.795 . . . . 55.89 108.961 170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' D' ' 98' ' ' LEU . 55.7 t -118.72 134.79 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 108.891 -0.781 . . . . 44.56 108.891 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.42 112.39 32.13 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 124.686 1.195 . . . . 19.48 108.091 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -100.9 109.01 20.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.682 -1.229 . . . . 52.2 107.682 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.31 108.11 16.97 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.048 0.939 . . . . 99.99 109.889 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.51 104.79 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.825 -0.806 . . . . 9.25 108.825 171.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' D' ' 43' ' ' ASP . 74.7 m -96.69 137.32 35.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.072 -0.714 . . . . 10.79 109.072 173.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 40' ' ' VAL . 37.3 t -131.51 112.93 21.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.565 1.146 . . . . 9.72 108.696 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 31.7 m -106.18 105.84 16.07 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.147 -1.057 . . . . 19.36 108.147 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 143.08 39.5 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.715 0.806 . . . . 11.33 109.369 -175.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.462 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 60.6 p -150.62 126.39 10.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.002 -0.545 . . . . 29.87 110.643 -173.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.93 104.28 16.53 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.625 -0.88 . . . . 24.97 108.625 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.78 -112.92 3.58 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 115.523 -0.762 . . . . 27.84 111.745 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.24 4.28 11.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.945 0.898 . . . . 76.3 110.485 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -114.31 160.14 19.42 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.617 -0.883 . . . . 81.89 108.617 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 17.5 m -72.89 136.87 45.34 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.772 0.32 . . . . 11.35 110.282 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.462 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -90.57 -63.5 1.26 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.369 -1.345 . . . . 10.67 107.369 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -161.78 158.19 25.32 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.652 -1.158 . . . . 7.73 110.96 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.66 109.38 16.06 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.539 -1.282 . . . . 11.05 107.539 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.469 ' SG ' ' HE2' ' D' ' 117' ' ' MET . 42.4 t -117.64 139.21 51.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.008 -0.738 . . . . 12.97 109.008 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.1 133.7 11.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.796 -0.446 . . . . 47.96 109.796 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.89 114.19 21.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 108.721 -0.844 . . . . 5.05 108.721 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 51.9 mt-30 -89.77 84.0 6.25 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.116 -1.068 . . . . 21.68 108.116 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.401 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.3 tp-100 -80.03 109.29 14.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 113.649 -1.614 . . . . 8.01 108.636 -174.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.76 171.49 20.08 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 123.666 0.604 . . . . 11.29 112.712 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.98 140.34 6.3 Favored Glycine 0 C--N 1.342 0.905 0 C-N-CA 121.809 -0.234 . . . . 22.6 113.112 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 93.3 mt -93.02 110.91 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 107.966 -1.124 . . . . 43.57 107.966 170.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -114.09 124.0 51.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.364 0.666 . . . . 45.01 109.715 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.452 ' HA ' HG22 ' D' ' 55' ' ' VAL . 9.0 t -96.76 129.76 44.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.983 0.913 . . . . 77.58 108.802 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' D' ' 89' ' ' ILE . 44.9 pt -131.97 144.25 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.77 0.828 . . . . 88.57 110.795 -171.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.61 162.61 30.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.741 0.816 . . . . 99.99 110.482 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.54 22.69 74.87 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 115.998 -0.546 . . . . 99.99 113.982 175.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.703 HD11 ' HB ' ' D' ' 86' ' ' ILE . 2.0 pt -128.02 159.63 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.343 1.057 . . . . 99.99 109.881 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.3 168.86 21.46 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 99.99 110.994 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.06 -143.15 35.67 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.424 -0.807 . . . . 99.99 113.369 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 34.6 p -90.95 -30.13 17.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.065 0.546 . . . . 99.99 110.48 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' E' ' 47' ' ' LEU . 34.8 tt0 -60.63 -26.55 67.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.328 0.651 . . . . 99.99 111.098 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HB ' ' D' ' 89' ' ' ILE . 63.9 ttp -50.83 -62.87 1.35 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.056 1.342 . . . . 99.99 111.811 173.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.43 -12.67 51.42 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.462 -0.79 . . . . 88.9 111.473 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' D' ' 93' ' ' GLN . 15.5 t-80 -56.43 -25.39 50.28 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 124.148 0.979 . . . . 99.99 111.99 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 65.9 m -53.73 -35.04 60.77 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 123.745 0.653 . . . . 95.17 112.439 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.407 ' HB2' HG22 ' D' ' 58' ' ' VAL . 3.5 pp -71.86 -27.3 62.78 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 122.745 0.418 . . . . 99.99 111.777 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.8 14.01 41.67 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 123.327 0.392 . . . . 66.02 113.048 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -139.95 -77.81 0.32 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.286 0.634 . . . . 54.11 111.029 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.51 -49.66 72.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.878 0.871 . . . . 40.76 110.672 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 62.7 m -61.25 -53.62 61.18 Favored Pre-proline 0 CA--C 1.563 1.468 0 C-N-CA 124.309 1.044 . . . . 34.31 113.214 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.4 -28.21 46.63 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 121.752 1.635 . . . . 28.69 112.758 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.02 -25.36 62.64 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.583 0.753 . . . . 61.29 111.225 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.47 HG21 HD13 ' D' ' 13' ' ' ILE . 35.0 mm -77.29 -44.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.968 0.507 . . . . 19.65 109.684 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.401 HD13 ' O ' ' D' ' 80' ' ' GLN . 96.0 mt -69.81 -29.49 66.79 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 115.544 -0.753 . . . . 13.09 112.731 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . 0.401 ' HB2' ' HE2' ' D' ' 133' ' ' PHE . 55.7 t80 -63.83 -47.33 81.39 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 114.005 1.113 . . . . 10.47 114.005 -173.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 85.5 Cg_exo -51.87 -34.39 55.28 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 121.877 1.718 . . . . 6.22 113.98 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -79.92 -32.95 40.13 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.331 0.652 . . . . 10.48 110.995 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.27 74.07 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.216 0.606 . . . . 4.16 110.857 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -77.29 -30.49 54.24 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.585 0.754 . . . . 10.22 111.623 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.89 -43.91 91.33 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.064 0.946 . . . . 32.24 110.178 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . 0.415 ' O ' ' SD ' ' D' ' 117' ' ' MET . 48.6 t -58.54 -49.74 76.3 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.019 0.824 . . . . 3.39 109.948 174.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.538 HD13 HG21 ' D' ' 64' ' ' VAL . 73.8 mt -48.45 -55.01 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.382 1.073 . . . . 5.37 111.049 173.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . 0.523 HG21 ' HE2' ' B' ' 109' ' ' TYR . 91.2 m -53.18 -40.6 64.5 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.022 0.826 . . . . 7.06 111.241 -177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 13.4 t -66.07 -49.7 66.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.964 -1.016 . . . . 6.71 110.7 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.469 ' HE2' ' SG ' ' D' ' 76' ' ' CYS . 3.3 mpp? -61.54 -39.65 91.83 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 120.793 0.33 . . . . 5.08 111.715 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 114' ' ' ILE . 60.2 t -63.72 -44.28 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.207 1.003 . . . . 5.65 111.198 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 87.8 p -70.07 -36.35 74.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.776 0.431 . . . . 10.21 110.862 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' C' ' 113' ' ' CYS . 34.6 mtt180 -65.55 -31.21 72.15 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.593 0.757 . . . . 6.99 110.709 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.12 11.11 63.7 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 119.13 -0.817 . . . . 7.43 113.642 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 62.1 m 69.29 12.46 8.39 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.602 1.161 . . . . 18.26 111.918 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -89.12 145.52 34.47 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 121.259 -0.901 . . . . 10.7 109.926 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.14 141.5 79.84 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.339 2.693 . . . . 20.06 112.746 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . 0.413 ' HG3' HG23 ' D' ' 115' ' ' THR . 60.3 tt0 -47.52 124.41 6.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.403 1.481 . . . . 16.85 112.426 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.46 93.84 4.32 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.122 0.487 . . . . 14.84 109.823 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -100.97 114.55 28.56 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.508 -1.294 . . . . 76.73 107.508 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.23 151.34 38.43 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 123.432 0.457 . . . . 20.32 109.917 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' E' ' 123' ' ' ASP . . . -82.96 148.99 58.37 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.593 0.357 . . . . 28.37 110.315 -173.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.0 108.2 1.46 Allowed 'Trans proline' 0 CA--C 1.557 1.67 0 C-N-CA 122.66 2.24 . . . . 32.68 113.809 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.94 143.53 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.483 1.113 . . . . 69.78 110.399 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -92.76 116.35 28.95 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.724 0.81 . . . . 99.99 110.109 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.434 ' HD1' HD21 ' E' ' 111' ' ' LEU . 65.7 m-85 -79.41 -32.15 42.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.27 0.628 . . . . 99.99 111.515 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.79 -30.0 69.78 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.787 0.68 . . . . 99.99 112.036 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.64 38.9 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.447 0.699 . . . . 99.99 111.863 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' E' ' 120' ' ' TYR . 4.0 mp -85.8 -31.42 22.34 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.781 -1.1 . . . . 99.99 111.451 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -88.2 -32.25 18.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.234 0.828 . . . . 99.99 113.234 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 23.0 ptp -56.62 -34.03 66.84 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.423 0.897 . . . . 99.99 113.423 -166.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . 0.464 ' HA ' HE21 ' D' ' 142' ' ' GLN . 25.0 p-10 -77.58 -32.65 53.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.591 0.356 . . . . 99.99 111.71 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -62.92 -56.05 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.106 0.562 . . . . 99.99 111.632 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.2 tp -64.72 -38.75 92.04 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -166.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . 0.464 HE21 ' HA ' ' D' ' 139' ' ' ASN . 27.2 pt20 -75.33 4.69 6.72 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.266 0.469 . . . . 99.99 112.266 -176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.73 43.9 1.37 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.642 0.777 . . . . 99.99 109.406 171.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -147.44 127.62 13.81 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.372 -0.376 . . . . 99.99 110.88 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.59 90.81 1.19 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.545 1.138 . . . . 99.99 108.037 175.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.14 -21.71 29.4 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.625 -0.716 . . . . 99.99 112.319 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.52 100.61 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.997 0.919 . . . . 99.99 110.656 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.48 4.99 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 115.73 -0.668 . . . . 99.99 112.507 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 43.7 p -90.95 25.79 2.31 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.574 1.15 . . . . 99.99 110.789 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 57.51 -135.01 1.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.177 1.391 . . . . 99.99 108.745 -166.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.442 ' HB3' ' HB2' ' D' ' 154' ' ' ASP . 33.7 mt-10 64.11 -80.32 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.703 1.201 . . . . 99.99 111.504 176.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 5.1 t60 66.41 -73.7 0.07 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.157 1.783 . . . . 99.99 112.034 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -92.64 15.41 14.44 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.693 0.797 . . . . 99.99 110.544 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' D' ' 151' ' ' GLU . 20.9 t70 -55.88 -47.29 77.65 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.494 0.717 . . . . 99.99 110.908 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.011 0 O-C-N 124.798 1.311 . . . . 99.99 110.165 -177.681 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.524 ' HG2' ' HB2' ' B' ' 42' ' ' LEU . 16.7 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . 0.436 ' HE2' ' HG2' ' E' ' 84' ' ' ARG . 75.2 mmtt -75.25 141.22 43.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.028 0.531 . . . . 99.99 109.95 172.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.581 ' HA ' HG23 ' E' ' 80' ' ' ILE . 74.3 mt-30 68.75 -0.91 2.17 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.396 1.478 . . . . 99.99 114.315 176.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -177.03 140.43 0.3 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.709 1.204 . . . . 99.99 108.356 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -68.1 -69.61 0.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.552 0.615 . . . . 99.99 109.906 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.704 ' HA ' HD21 ' B' ' 42' ' ' LEU . 13.0 pt -134.51 84.63 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.762 0.825 . . . . 99.99 109.805 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' B' ' 42' ' ' LEU . . . 179.15 -177.77 0.31 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.586 1.154 . . . . 99.99 110.271 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.676 HD11 HD21 ' B' ' 60' ' ' LEU . 9.0 mt -62.69 96.45 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.891 0.477 . . . . 99.99 111.869 -170.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.46 95.36 1.77 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.869 0.868 . . . . 99.99 110.788 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 31.9 tp 73.86 -66.08 0.32 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.579 1.551 . . . . 99.99 112.067 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt 74.99 133.17 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 125.555 1.542 . . . . 99.99 109.601 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.28 83.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.493 2.129 . . . . 99.99 112.424 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.09 -94.46 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.178 1.391 . . . . 99.99 110.98 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.0 148.38 1.74 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.824 0.85 . . . . 99.99 109.304 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' B' ' 46' ' ' THR . 36.3 p90 -71.65 137.56 47.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.707 0.403 . . . . 99.99 110.084 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.429 ' N ' ' HD3' ' E' ' 17' ' ' PRO . 23.3 p -130.24 40.78 0.64 Allowed Pre-proline 0 CA--C 1.566 1.585 0 N-CA-C 113.342 0.868 . . . . 99.99 113.342 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' E' ' 16' ' ' THR . 21.1 Cg_endo -93.73 -0.97 3.24 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.014 1.81 . . . . 99.99 113.638 -172.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 HG23 ' E' ' 19' ' ' THR . 1.2 p -79.89 -31.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.965 0.506 . . . . 99.99 110.449 -170.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . 0.552 HG23 HG13 ' E' ' 18' ' ' VAL . 75.2 p -136.15 -173.34 3.36 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.835 1.254 . . . . 99.99 109.343 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.14 -20.45 61.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.836 0.454 . . . . 99.99 111.675 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . 73.25 7.42 5.26 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 115.139 1.533 . . . . 99.99 115.139 163.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.51 125.25 28.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.208 0.603 . . . . 99.99 110.128 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 13.0 p -130.77 148.78 71.5 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.697 1.199 . . . . 99.99 109.335 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.12 127.22 21.52 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.412 2.075 . . . . 99.99 110.704 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 68.44 17.01 9.18 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.75 1.22 . . . . 99.99 112.138 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . 0.262 66.6 mtt 25.26 -79.03 0.0 OUTLIER Pre-proline 0 CA--C 1.591 2.531 0 C-N-CA 128.028 2.531 . . . . 99.99 116.754 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.35 -40.98 81.1 Favored 'Trans proline' 1 C--N 1.422 4.404 0 CA-C-N 123.383 2.244 . . . . 99.99 113.298 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t 63.74 94.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 124.993 1.317 . . . . 99.99 109.778 -174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.83 162.34 28.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.409 0.684 . . . . 99.99 110.413 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 59.48 34.71 22.65 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.921 0.888 . . . . 99.99 109.77 -170.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.5 -27.84 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.45 -1.25 . . . . 99.99 111.154 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 81.18 -32.65 0.11 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.175 1.79 . . . . 99.99 111.644 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' E' ' 64' ' ' ALA . . . 67.9 -161.64 0.21 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.723 1.209 . . . . 99.99 110.581 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HE2' ' E' ' 62' ' ' LYS . . . -85.12 8.99 16.15 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.893 0.701 . . . . 99.99 112.893 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 71.11 102.88 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.33 1.452 . . . . 99.99 110.554 172.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.52 52.51 0.55 Allowed Glycine 0 C--N 1.349 1.296 0 N-CA-C 111.083 -0.807 . . . . 99.99 111.083 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -88.79 116.91 27.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.487 1.115 . . . . 99.99 109.614 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' E' ' 324' ' ' MET . 10.8 tt -164.29 16.8 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 112.934 0.716 . . . . 99.99 112.934 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 33.6 p -115.93 -82.6 0.62 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.745 -1.222 . . . . 99.99 112.57 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.496 ' HB3' ' HD3' ' E' ' 41' ' ' PRO 0.312 . . 53.21 -100.35 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.413 0 CA-C-O 116.035 -1.936 . . . . 99.99 113.441 -169.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' E' ' 40' ' ' ALA . 73.4 Cg_endo -96.61 90.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.407 3.62 0 CA-C-N 125.686 3.066 . . . . 99.99 112.412 -177.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.89 116.57 3.91 Favored Glycine 0 N--CA 1.47 0.947 0 CA-C-N 115.758 -0.655 . . . . 99.99 111.696 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.86 55.36 2.6 Favored Glycine 0 C--N 1.343 0.949 0 N-CA-C 112.164 -0.375 . . . . 99.99 112.164 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.72 72.91 8.78 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.483 0.659 . . . . 99.99 109.757 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -75.18 -11.64 60.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.017 -0.992 . . . . 99.99 111.319 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 155.17 29.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.045 -1.094 . . . . 99.99 108.045 175.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' D' ' 93' ' ' GLN . 73.5 mt -85.22 77.93 9.92 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 174.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 26.8 m -93.49 -50.71 5.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.085 -0.961 . . . . 99.99 110.873 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.09 -64.47 0.3 Allowed Glycine 0 C--N 1.342 0.879 0 C-N-CA 121.443 -0.408 . . . . 99.99 112.945 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -38.01 -77.82 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.043 1.737 . . . . 99.99 114.905 -165.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -74.56 -42.11 59.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.167 0.587 . . . . 99.99 111.156 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -68.31 -16.62 64.01 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.578 0.751 . . . . 99.99 112.401 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 -36.27 27.2 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.996 0.518 . . . . 99.99 110.441 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.84 19.1 11.57 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.985 1.314 . . . . 99.99 111.726 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt 64.43 -71.72 0.07 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.702 1.601 . . . . 99.99 111.759 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 64.66 12.49 7.6 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.242 . . . . 99.99 111.235 -175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.83 165.86 11.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.465 0.706 . . . . 99.99 110.508 -171.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' E' ' 68' ' ' ILE . 2.0 m -95.26 -24.03 16.97 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.017 0.927 . . . . 99.99 112.179 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 126.15 28.38 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.445 0.698 . . . . 99.99 109.83 -170.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m 71.54 -71.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.498 1.519 . . . . 99.99 110.706 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -134.43 164.66 26.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.039 0.936 . . . . 99.99 110.271 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . 0.685 ' HE2' ' HB1' ' E' ' 34' ' ' ALA . 0.0 OUTLIER -151.73 136.04 10.0 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.24 1.016 . . . . 99.99 108.495 -177.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -50.25 -58.19 1.85 Allowed 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.931 2.42 . . . . 99.99 112.442 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' E' ' 33' ' ' ALA . . . -164.25 82.72 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.316 0.646 . . . . 99.99 110.37 176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -137.78 153.12 49.72 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.392 0.677 . . . . 99.99 109.835 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -86.78 -57.51 2.95 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.585 0.754 . . . . 99.99 109.95 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.421 HG13 ' H ' ' E' ' 69' ' ' LEU . 36.1 pt -117.99 -168.65 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.703 0.801 . . . . 99.99 110.636 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . 0.476 ' HA ' ' OG ' ' E' ' 58' ' ' SER . 2.4 mp -65.25 -22.49 31.28 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.297 1.039 . . . . 99.99 111.873 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.421 ' H ' HG13 ' E' ' 67' ' ' ILE . 6.5 tt -45.05 119.12 1.89 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.215 1.406 . . . . 99.99 112.404 -174.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.59 17.05 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.951 -1.022 . . . . 99.99 108.89 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 pt -113.37 145.49 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.678 0.791 . . . . 99.99 109.963 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 -54.29 4.71 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-O 120.23 -0.205 . . . . 99.99 112.814 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.03 98.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.924 0.889 . . . . 99.99 111.658 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.28 166.63 23.26 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 110.6 -1.0 . . . . 99.99 110.6 172.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . 0.4 ' HG2' HD22 ' E' ' 311' ' ' ASN . 2.1 mpt? -96.58 87.42 4.38 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 117.604 0.702 . . . . 99.99 110.647 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' E' ' 308' ' ' CYS . . . -69.41 139.64 32.39 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.65 -0.704 . . . . 99.99 113.478 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -144.38 -72.22 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.304 0.642 . . . . 99.99 110.805 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' E' ' 307' ' ' THR . 15.2 m -72.17 -14.52 61.83 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 112.553 0.575 . . . . 99.99 112.553 -171.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' E' ' 307' ' ' THR . 10.0 pt-20 -63.87 -14.55 54.21 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.983 0.913 . . . . 99.99 113.109 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' E' ' 3' ' ' GLN . 90.6 mt -60.65 98.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 C-N-CA 123.658 0.783 . . . . 99.99 110.126 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -110.71 147.02 35.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.762 0.825 . . . . 99.99 109.84 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.8 -0.82 47.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.704 0.801 . . . . 99.99 111.604 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.2 93.09 2.28 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.165 0.586 . . . . 99.99 111.846 -173.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' HE2' ' E' ' 2' ' ' LYS . 0.0 OUTLIER -103.56 -30.65 10.37 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.128 0.571 . . . . 99.99 109.868 170.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -127.79 147.29 50.42 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.537 1.135 . . . . 99.99 108.739 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 54.09 79.57 0.13 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.207 1.003 . . . . 99.99 109.726 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.66 74.71 2.03 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.835 -176.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -79.62 77.97 6.2 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 115.516 -0.765 . . . . 99.99 109.579 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.08 -165.4 41.28 Favored Glycine 0 C--N 1.346 1.137 0 CA-C-N 115.353 -0.84 . . . . 99.99 113.187 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.11 76.31 0.37 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.358 1.063 . . . . 99.99 110.891 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.59 -80.76 0.72 Allowed Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.757 -0.656 . . . . 99.99 112.305 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.92 -177.2 30.72 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.994 0.219 . . . . 99.99 112.854 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -104.7 163.42 12.5 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.167 0.987 . . . . 99.99 110.157 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.92 160.05 16.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.33 0.652 . . . . 99.99 111.625 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.73 123.88 32.15 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.017 -1.105 . . . . 99.99 108.017 168.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.59 -55.05 0.09 OUTLIER Glycine 0 C--N 1.342 0.886 0 N-CA-C 111.776 -0.53 . . . . 99.99 111.776 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.436 HG23 ' SD ' ' D' ' 94' ' ' MET . 48.7 mt -74.79 93.02 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.458 0.703 . . . . 99.99 109.751 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.87 -16.54 47.19 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 115.6 -0.727 . . . . 99.99 109.717 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.03 30.54 0.94 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.431 1.092 . . . . 99.99 112.124 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 tp -110.13 94.87 19.22 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -98.02 3.84 1.36 Allowed 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.488 2.792 . . . . 99.99 111.453 162.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' D' ' 50' ' ' GLN . 4.1 tt 62.31 121.52 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.837 1.655 . . . . 99.99 110.074 -165.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 30.4 p -69.06 99.37 1.09 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.499 -0.773 . . . . 99.99 111.17 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.83 -5.78 56.73 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.148 -0.933 . . . . 99.99 113.491 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 63.53 -70.45 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.773 1.229 . . . . 99.99 110.627 -174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -102.83 106.92 17.6 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.076 0.95 . . . . 99.99 108.443 164.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -71.45 92.29 1.09 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.721 0.772 . . . . 99.99 110.277 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.93 45.0 2.58 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.042 1.337 . . . . 99.99 108.712 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -89.83 -59.76 2.12 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.591 -0.731 . . . . 99.99 111.843 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.43 -64.7 1.1 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.006 0.522 . . . . 99.99 111.104 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . 0.434 HD21 ' HD1' ' D' ' 133' ' ' PHE . 6.5 mp -85.21 78.17 9.87 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.385 -0.825 . . . . 99.99 109.013 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -169.56 -84.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.074 -0.966 . . . . 99.99 109.12 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -113.84 92.09 3.86 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 173.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' E' ' 114' ' ' LYS . 3.7 ttpm? -99.93 108.6 20.87 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.093 0.957 . . . . 99.99 108.788 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 61.6 p -113.71 -52.98 2.72 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.057 0.943 . . . . 99.99 110.315 -176.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.81 53.15 2.98 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.966 -0.561 . . . . 99.99 113.097 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' E' ' 118' ' ' PRO . 33.3 ttmt -167.11 127.56 1.18 Allowed Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.023 0.529 . . . . 99.99 109.901 -176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' E' ' 117' ' ' LYS . 3.5 Cg_exo -78.82 25.68 0.55 Allowed 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.835 3.023 . . . . 99.99 114.835 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 68.62 163.24 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.605 1.162 . . . . 99.99 112.056 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . 0.415 ' HB3' HD11 ' D' ' 136' ' ' LEU . 62.4 t80 -142.45 -5.65 0.94 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.441 0.697 . . . . 99.99 110.788 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . 0.404 HG12 ' H ' ' E' ' 122' ' ' THR . 5.7 t -89.7 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 CA-C-O 117.848 -1.072 . . . . 99.99 108.495 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . 0.404 ' H ' HG12 ' E' ' 121' ' ' VAL . 3.3 m 55.27 27.34 9.66 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 120.264 1.393 . . . . 99.99 110.993 -172.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' D' ' 129' ' ' ALA . 2.6 p30 -62.72 -27.54 69.34 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.047 1.339 . . . . 99.99 112.827 -172.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 14.1 p -41.44 101.3 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.783 1.633 . . . . 99.99 114.493 -174.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.17 91.39 2.27 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.281 1.032 . . . . 99.99 108.411 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -147.69 167.81 23.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.59 0.756 . . . . 96.83 110.567 -176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 50.0 m -141.13 141.05 34.21 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.748 0.819 . . . . 99.99 110.448 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.16 142.71 2.31 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.023 0.929 . . . . 74.48 109.437 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 7.1 t -163.36 119.55 1.76 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.339 0.656 . . . . 99.99 110.158 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . 0.477 ' HB1' ' HG3' ' A' ' 124' ' ' PRO . . . -174.74 125.82 0.29 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.981 1.313 . . . . 99.99 109.089 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' D' ' 32' ' ' PHE . 8.9 t90 -110.72 146.8 35.65 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.709 0.404 . . . . 99.99 110.298 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 32.1 p -65.9 164.74 14.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.51 1.124 . . . . 99.99 113.804 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 174.45 5.86 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 114.702 -1.135 . . . . 99.99 109.544 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.67 164.19 32.99 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 116.41 -0.359 . . . . 89.58 112.911 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . 0.551 HG13 HG23 ' E' ' 137' ' ' THR . 6.3 p -160.47 143.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.44 1.096 . . . . 99.99 109.332 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.42 99.33 0.08 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.514 0.725 . . . . 99.99 110.159 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . 0.551 HG23 HG13 ' E' ' 135' ' ' VAL . 6.4 p -126.31 158.38 35.95 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.202 1.001 . . . . 99.99 110.347 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -171.35 139.75 1.35 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.989 0.916 . . . . 99.99 109.208 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -168.47 160.86 11.42 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.935 0.772 . . . . 99.99 109.026 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.47 157.32 42.19 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 115.765 1.066 . . . . 99.99 115.765 -171.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -163.49 -154.91 0.3 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.993 1.317 . . . . 99.99 109.117 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.2 -48.31 76.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.251 0.834 . . . . 99.99 113.251 -168.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . 67.3 69.73 1.3 Allowed Glycine 0 N--CA 1.469 0.866 0 O-C-N 123.558 0.537 . . . . 99.99 112.918 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' C' ' 44' ' ' LEU . 2.5 t -109.02 80.46 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.522 -0.918 . . . . 99.99 108.522 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.637 ' HB2' ' SD ' ' E' ' 286' ' ' MET . 2.5 m-20 -118.56 132.16 56.21 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.725 -0.843 . . . . 99.99 108.725 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 17.3 tt -150.48 145.58 16.89 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 109.097 -0.705 . . . . 99.99 109.097 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 88.67 4.23 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.794 -1.187 . . . . 99.99 107.794 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -93.72 47.84 1.25 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.459 1.123 . . . . 99.99 111.513 -166.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -140.83 156.88 46.04 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.742 -1.117 . . . . 99.99 108.228 160.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.53 160.91 24.14 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 123.686 0.616 . . . . 99.99 110.732 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -49.93 140.08 16.35 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.323 1.049 . . . . 99.99 110.578 169.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . 0.581 ' HA ' ' HG3' ' E' ' 156' ' ' GLU . 11.1 Cg_endo -53.33 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.521 2.147 . . . . 99.99 112.566 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . 0.48 HG22 ' H ' ' E' ' 154' ' ' ILE . 1.6 m -129.43 -158.61 0.9 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.352 -1.351 . . . . 99.99 107.352 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.48 ' H ' HG22 ' E' ' 153' ' ' THR . 2.1 mp -63.65 -33.07 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.19 0.905 . . . . 99.99 111.193 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.76 65.7 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.415 0.686 . . . . 99.99 112.466 -177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . 0.654 ' HA ' HD13 ' E' ' 265' ' ' LEU . 28.0 mm-40 -59.78 -29.48 68.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.016 0.747 . . . . 99.99 113.016 -177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -106.77 -20.69 13.27 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.153 0.581 . . . . 99.99 111.487 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -94.91 -39.12 10.38 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.202 0.815 . . . . 99.99 113.202 -169.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.13 -12.11 53.55 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.46 1.104 . . . . 99.99 113.707 -165.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.91 63.72 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.501 0.721 . . . . 99.99 111.275 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . -118.8 -36.47 3.45 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.176 0.991 . . . . 99.99 109.592 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.18 -140.67 38.04 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 114.95 -1.023 . . . . 99.99 112.996 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 15.4 tp -118.91 32.36 6.17 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.606 -0.887 . . . . 99.99 108.606 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.51 81.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.778 . . . . 99.99 111.56 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 15.1 t -94.32 18.6 10.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.523 0.729 . . . . 99.99 110.936 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -74.98 86.09 0.78 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 116.234 -0.439 . . . . 99.99 113.358 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 8.6 t30 65.99 12.59 8.54 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 124.93 1.292 . . . . 99.99 112.044 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.82 96.82 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.209 0 C-N-CA 123.777 0.831 . . . . 99.99 111.451 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 23.3 t 61.8 6.99 1.79 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.324 1.449 . . . . 99.99 112.228 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 72.6 p 44.22 42.13 4.85 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 125.206 1.402 . . . . 99.99 111.004 -165.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.77 81.98 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.757 -1.11 . . . . 99.99 112.568 -170.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.84 29.8 16.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.202 1.001 . . . . 99.99 111.265 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.08 -29.7 69.9 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.332 1.053 . . . . 99.99 112.225 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.61 150.55 36.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.472 -0.936 . . . . 99.99 108.472 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.62 174.88 10.97 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.67 0.788 . . . . 99.99 109.183 171.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 75.27 8.36 3.95 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.721 1.208 . . . . 99.99 111.803 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.5 m -60.17 112.27 5.21 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.742 0.817 . . . . 99.99 108.916 173.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -59.28 -57.05 1.02 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.078 2.519 . . . . 99.99 113.114 -165.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.1 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.569 1.148 . . . . 99.99 111.265 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -84.28 84.19 7.71 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.1 160.55 15.23 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.55 0.74 . . . . 99.99 111.398 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.16 160.53 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.181 0.993 . . . . 99.99 109.403 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.05 60.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.364 0.666 . . . . 99.99 111.563 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 77.15 -47.74 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.983 1.713 . . . . 99.99 110.947 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 25.2 m -86.27 23.97 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 124.105 0.962 . . . . 99.99 110.54 168.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 32.5 m -51.87 102.6 0.05 OUTLIER 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.539 1.536 . . . . 99.99 112.278 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 22.7 t -145.1 179.32 7.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.625 1.17 . . . . 99.99 108.674 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -65.77 -49.62 67.67 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.444 0.698 . . . . 99.99 112.004 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 47.69 83.86 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.043 1.337 . . . . 99.99 111.957 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . 0.608 ' HA ' ' HG2' ' E' ' 215' ' ' GLU . 41.6 t 75.18 -60.51 0.51 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.195 1.398 . . . . 99.99 111.616 -174.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -81.41 93.13 6.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.107 0.963 . . . . 99.99 110.242 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -168.58 -60.39 0.03 OUTLIER Glycine 0 C--N 1.345 1.061 0 CA-C-O 119.205 -0.775 . . . . 99.99 113.129 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . 0.481 ' HG2' ' HA ' ' E' ' 212' ' ' SER . 18.4 Cg_endo -58.45 148.68 79.31 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.424 2.083 . . . . 99.99 112.049 174.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . 0.582 ' HB2' ' HA2' ' E' ' 211' ' ' GLY . 15.5 t 81.54 40.69 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.442 1.897 . . . . 99.99 109.781 -164.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -69.2 151.14 46.69 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.632 -0.713 . . . . 99.99 110.852 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 95.1 m -52.55 -44.82 66.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.127 0.971 . . . . 99.99 111.304 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 32.3 t -127.56 91.07 3.23 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.849 -1.167 . . . . 99.99 107.849 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . 0.585 ' HG2' ' HA2' ' E' ' 208' ' ' GLY . 2.5 tt0 -89.31 57.13 3.89 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 122.305 1.05 . . . . 99.99 110.62 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.75 85.67 1.18 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.806 -1.553 . . . . 99.99 106.806 167.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . 0.434 ' H ' ' HB3' ' E' ' 203' ' ' ASN . 14.6 p -160.6 162.99 22.29 Favored Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 113.659 -1.61 . . . . 99.99 108.506 -170.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -45.25 97.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.35 2.7 . . . . 99.99 113.861 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 89.01 40.61 6.13 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 115.528 -0.76 . . . . 99.99 112.921 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . 0.434 ' HB3' ' H ' ' E' ' 200' ' ' CYS . 17.7 p-10 -73.75 -69.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.339 0.656 . . . . 99.99 112.167 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . 163.04 71.11 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.14 1.776 . . . . 99.99 107.914 -173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 57.0 tp 66.47 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.114 1.366 . . . . 99.99 111.416 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.14 155.49 4.4 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.076 -1.083 . . . . 99.99 108.076 -175.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 64.99 -73.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.435 1.494 . . . . 99.99 109.451 -171.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . 0.585 ' HA2' ' HG2' ' E' ' 198' ' ' GLU . . . -177.91 166.35 36.49 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.127 -1.189 . . . . 99.99 110.127 175.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . -97.96 9.66 63.78 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 119.678 -0.512 . . . . 99.99 113.189 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -55.71 0.65 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.281 1.433 . . . . 99.99 110.724 -177.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' E' ' 194' ' ' SER . . . 175.31 -170.24 43.24 Favored Glycine 0 C--N 1.34 0.797 0 N-CA-C 112.232 -0.347 . . . . 99.99 112.232 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' E' ' 193' ' ' PRO . 49.6 m -75.82 8.65 2.89 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.046 0.939 . . . . 99.99 112.187 178.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.54 ' HA ' ' HG2' ' E' ' 216' ' ' GLN . 56.0 mt -53.03 -35.64 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 99.99 111.217 173.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 23.3 p -56.29 -41.62 76.19 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.049 1.34 . . . . 99.99 112.517 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . 0.608 ' HG2' ' HA ' ' E' ' 190' ' ' CYS . 1.8 mp0 -89.59 -46.52 8.6 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.31 0.644 . . . . 99.99 111.709 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . 0.54 ' HG2' ' HA ' ' E' ' 213' ' ' ILE . 21.4 pt20 -70.84 -10.72 60.14 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 113.771 1.026 . . . . 99.99 113.771 -164.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 68.36 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.048 0.939 . . . . 99.99 113.288 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 4.4 pp -140.92 160.35 40.26 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.151 0.98 . . . . 99.99 109.725 -174.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 56.98 -81.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.186 1.394 . . . . 99.99 111.47 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' E' ' 224' ' ' VAL . . . -66.6 -53.54 33.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.936 0.894 . . . . 99.99 110.022 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . 0.651 ' HG3' ' H ' ' E' ' 222' ' ' ALA . 29.8 ptt180 39.11 -81.12 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 126.403 1.881 . . . . 99.99 114.013 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' E' ' 221' ' ' ARG . . . -91.09 112.98 25.13 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.43 -0.952 . . . . 99.99 108.43 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.83 109.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.822 1.249 . . . . 99.99 109.743 -169.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . 0.436 ' HA ' ' HB1' ' E' ' 220' ' ' ALA . 22.0 m -72.83 157.71 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.595 0.758 . . . . 99.99 111.387 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . 0.426 HG22 ' HB2' ' E' ' 220' ' ' ALA . 14.8 t -112.75 171.41 7.55 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.461 1.104 . . . . 99.99 109.556 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 50.4 tp 67.17 86.01 0.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 99.99 111.018 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -113.88 137.0 13.77 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.613 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . 99.58 -131.98 10.76 Favored Glycine 0 C--N 1.342 0.908 0 N-CA-C 112.012 -0.435 . . . . 99.99 112.012 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -90.7 -117.75 1.98 Allowed Glycine 0 C--N 1.346 1.094 0 CA-C-O 119.748 -0.473 . . . . 99.99 111.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . 57.51 34.82 25.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.726 1.21 . . . . 99.99 112.45 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -135.53 75.92 1.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 122.111 0.957 . . . . 99.99 109.502 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . 0.586 HG23 ' H ' ' E' ' 234' ' ' ALA . 9.0 t -70.03 -24.2 63.23 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.96 -1.018 . . . . 99.99 110.433 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 60.66 28.38 18.09 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.588 1.155 . . . . 99.99 111.151 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . 0.586 ' H ' HG23 ' E' ' 232' ' ' THR . . . 57.57 52.22 8.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.243 1.017 . . . . 99.99 110.358 -172.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' E' ' 238' ' ' THR . 32.4 tt0 -60.13 125.13 22.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.704 0.802 . . . . 99.99 110.494 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 46.3 p -74.14 -30.22 62.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.118 0.567 . . . . 99.99 110.681 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -74.76 -3.31 30.88 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.831 0.853 . . . . 99.99 112.759 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . 0.5 HG23 ' HB3' ' E' ' 235' ' ' GLU . 40.0 p -58.13 -36.57 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.456 0.646 . . . . 99.99 110.594 173.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -109.21 131.48 55.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.04 -1.096 . . . . 99.99 108.04 168.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -60.03 -48.9 83.83 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.243 -0.743 . . . . 99.99 111.243 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -136.93 107.94 6.71 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.476 1.11 . . . . 99.99 108.007 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -58.89 118.16 5.45 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.756 0.422 . . . . 99.99 110.402 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.49 120.1 11.04 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.646 0.778 . . . . 99.99 109.162 -176.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 129.62 -70.55 0.51 Allowed Glycine 0 C--O 1.24 0.496 0 N-CA-C 109.165 -1.574 . . . . 99.99 109.165 -173.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 56.68 31.85 20.03 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.597 1.159 . . . . 99.99 111.7 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 5.9 t -130.25 130.96 45.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.422 -0.808 . . . . 99.99 110.278 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.23 -15.73 49.22 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.007 0.923 . . . . 99.99 110.217 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.6 -51.8 60.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.254 1.022 . . . . 99.99 110.353 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -80.76 -13.64 58.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.694 0.798 . . . . 99.99 111.827 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -62.54 -3.13 1.3 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.398 1.079 . . . . 99.99 112.878 163.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -41.33 -13.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 116.463 2.023 . . . . 99.99 116.463 175.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.92 -39.1 65.54 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 118.692 0.678 . . . . 99.99 111.976 167.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -91.59 0.44 57.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.635 1.174 . . . . 99.99 112.062 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.7 148.14 52.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.327 0.651 . . . . 99.99 110.754 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -57.59 98.9 0.09 OUTLIER Glycine 0 C--N 1.35 1.311 0 O-C-N 124.389 1.055 . . . . 99.99 113.144 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.9 162.99 30.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.622 1.169 . . . . 99.99 109.866 174.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 75.51 -49.59 0.63 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.833 1.653 . . . . 99.99 110.028 -165.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 84.1 mt 65.34 -169.05 0.2 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.7 1.2 . . . . 99.99 111.843 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' E' ' 263' ' ' ALA . 38.4 t 57.21 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 99.99 109.634 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 51.6 p -54.6 118.96 4.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.819 -1.082 . . . . 99.99 111.602 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 31.3 t70 77.0 -52.48 0.57 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.433 1.493 . . . . 99.99 113.044 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -69.71 -19.17 63.57 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.65 0.981 . . . . 99.99 113.65 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' E' ' 259' ' ' VAL . . . -84.47 -18.95 34.21 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.817 0.447 . . . . 99.99 111.837 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 31.0 m 59.96 11.08 2.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.468 1.107 . . . . 99.99 112.203 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' E' ' 156' ' ' GLU . 8.0 tt 55.95 96.83 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.491 1.517 . . . . 99.99 110.678 -170.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 72.7 -62.05 0.48 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.782 1.233 . . . . 99.99 112.591 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 12.3 m -83.09 58.96 4.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.657 1.183 . . . . 99.99 111.582 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.97 -38.64 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.526 -0.761 . . . . 99.99 109.806 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 15.2 t -85.74 134.95 33.93 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 115.515 -0.766 . . . . 99.99 108.934 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.75 60.8 3.45 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.833 0.853 . . . . 99.99 110.344 -165.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.149 -0.932 . . . . 99.99 112.901 -173.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -66.86 -55.52 14.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.537 0.684 . . . . 99.99 110.083 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -149.66 133.65 17.08 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.88 -1.896 . . . . 99.99 105.88 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.79 -40.7 89.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.125 0.891 . . . . 99.99 111.83 -162.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' E' ' 278' ' ' LEU . 13.0 mmmt -112.74 126.19 28.7 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 108.802 -0.814 . . . . 99.99 108.802 164.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -88.92 -74.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.724 2.283 . . . . 99.99 113.009 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.6 -32.66 31.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.059 0.944 . . . . 99.99 109.663 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.512 HD13 HD21 ' C' ' 98' ' ' LEU . 71.8 mt -67.27 132.34 47.55 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.996 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.3 98.19 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.877 0.736 . . . . 99.99 113.325 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.5 pp -163.32 -175.62 4.35 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.73 1.212 . . . . 99.99 108.774 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.498 ' HZ ' HG13 ' C' ' 58' ' ' VAL . 73.3 t80 -152.14 -81.05 0.1 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.911 -0.774 . . . . 99.99 108.911 171.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' E' ' 145' ' ' ASP . . . -102.79 9.96 38.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.772 0.829 . . . . 99.99 110.126 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.65 88.85 1.29 Allowed 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.372 1.069 . . . . 99.99 110.37 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 147.06 -144.55 12.73 Favored Glycine 0 C--N 1.34 0.799 0 CA-C-N 114.622 -1.172 . . . . 99.99 110.778 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -150.29 126.19 10.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.795 0.838 . . . . 99.99 109.299 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' E' ' 145' ' ' ASP . 89.1 mtp -116.24 92.84 37.38 Favored Pre-proline 0 CA--C 1.552 1.036 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.13 93.73 0.19 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.466 2.777 . . . . 99.99 113.523 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 49.1 t -128.61 122.13 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 108.079 -1.082 . . . . 99.99 108.079 172.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -121.7 -160.32 0.86 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.929 0.892 . . . . 99.99 109.453 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.401 ' NE1' HG13 ' C' ' 40' ' ' VAL . 0.1 OUTLIER -70.6 115.31 9.62 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.537 HD22 ' H ' ' E' ' 291' ' ' LEU . 1.1 mm? -65.95 -21.64 66.44 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 114.568 -1.196 . . . . 99.99 111.999 -168.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.67 104.91 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 CA-C-O 118.756 -1.024 . . . . 99.99 111.627 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.8 99.74 0.89 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.061 2.508 . . . . 99.99 113.088 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -120.13 157.05 29.83 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.713 0.805 . . . . 99.99 108.854 168.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.46 6.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.201 0.6 . . . . 99.99 109.934 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 52.0 m -61.14 -45.95 92.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.445 0.698 . . . . 99.99 111.001 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -76.23 80.25 3.02 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 122.259 1.028 . . . . 99.99 108.649 174.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -171.06 114.41 0.41 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 113.218 -1.81 . . . . 99.99 107.488 -177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 145.67 -174.14 25.76 Favored Glycine 0 C--N 1.342 0.867 0 O-C-N 123.235 0.334 . . . . 99.99 113.232 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.61 86.62 0.9 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.344 1.058 . . . . 99.99 110.577 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . . . . . . . . . 50.8 mt -95.12 81.35 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.407 0.683 . . . . 99.99 109.639 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -155.44 164.78 38.24 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.61 1.164 . . . . 99.99 109.83 171.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -139.74 148.83 57.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.52 1.128 . . . . 99.99 109.113 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.22 129.35 25.3 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.184 2.589 . . . . 99.99 113.093 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -89.71 135.83 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.423 -0.808 . . . . 99.99 111.264 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' B' ' 130' ' ' PRO . 28.7 m -106.18 156.53 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 123.267 0.627 . . . . 99.99 110.318 174.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' E' ' 79' ' ' GLU . 42.4 m -136.35 111.91 9.31 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.807 0.843 . . . . 99.99 109.724 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.465 ' HA ' ' HA2' ' E' ' 76' ' ' GLY . 12.8 m -105.45 173.75 6.17 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.511 0.725 . . . . 99.99 109.478 173.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 75.9 p -127.42 148.17 65.32 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.0 0.92 . . . . 99.99 108.596 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.58 -45.71 20.4 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.393 2.062 . . . . 99.99 111.512 172.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.4 HD22 ' HG2' ' E' ' 75' ' ' MET . 57.4 t30 57.69 81.11 0.26 Allowed Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 124.603 1.189 . . . . 99.99 111.011 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.61 114.29 3.21 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.844 2.362 . . . . 99.99 112.129 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -75.12 92.8 2.7 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.777 -0.823 . . . . 99.99 108.777 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 66.45 -166.02 0.22 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.083 1.353 . . . . 99.99 111.701 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.64 5.87 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.717 0.807 . . . . 99.99 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.09 164.34 21.81 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.751 0.82 . . . . 99.99 110.668 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' E' ' 40' ' ' ALA . 58.4 m -82.93 152.61 25.44 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.083 -0.962 . . . . 99.99 112.028 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 31.2 m -81.74 154.62 70.82 Favored Pre-proline 0 CA--C 1.557 1.215 0 CA-C-N 115.352 -0.84 . . . . 99.99 111.333 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.06 88.79 0.09 OUTLIER 'Trans proline' 0 C--N 1.388 2.638 0 C-N-CA 122.959 2.439 . . . . 99.99 112.401 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 22.5 p -141.09 179.9 6.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.017 1.327 . . . . 99.99 109.518 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.592 HD23 ' H ' ' E' ' 321' ' ' LEU . 1.6 pt? -108.07 -53.74 2.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.325 0.65 . . . . 99.99 110.583 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -81.98 74.9 8.94 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.575 0.702 . . . . 99.99 109.447 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -94.83 156.92 16.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.057 -0.974 . . . . 99.99 112.32 -174.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.723 ' HA ' ' HA ' ' E' ' 38' ' ' ILE . 64.8 mtt 63.55 83.64 0.16 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.057 1.343 . . . . 99.99 111.493 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 43.9 p -68.58 115.77 8.35 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.702 -1.135 . . . . 99.99 110.205 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' E' ' 330' ' ' GLU . 32.3 t70 59.46 -109.11 0.42 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.255 1.022 . . . . 99.99 109.402 -170.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' E' ' 329' ' ' ILE . 29.5 tptt 59.73 -173.61 0.11 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.857 0.863 . . . . 99.99 110.495 -173.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' E' ' 334' ' ' LYS . . . -71.41 -38.93 71.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.424 0.631 . . . . 99.99 110.723 172.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . 0.614 HG21 ' SD ' ' E' ' 324' ' ' MET . 14.6 tt -63.47 -25.13 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -169.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' E' ' 326' ' ' ASP . 0.6 OUTLIER -46.83 -54.46 9.83 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.161 0.984 . . . . 99.99 111.471 -171.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.55 -68.74 0.72 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 108.467 -0.938 . . . . 99.99 108.467 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 171.65 89.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -177.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 13.8 t 61.48 12.32 4.33 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.146 0.978 . . . . 99.99 111.854 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . 0.573 ' HB2' ' HA ' ' E' ' 328' ' ' ALA . 2.2 tmtp? 57.23 -89.49 0.02 OUTLIER 'General case' 0 C--N 1.36 1.061 0 C-N-CA 125.905 1.682 . . . . 99.99 109.068 -171.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 15.4 m120 42.93 -76.04 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.394 1.877 . . . . 99.99 115.284 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 76.18 153.96 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.186 1.795 . . . . 99.99 109.022 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -54.76 146.93 15.88 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.587 0.755 . . . . 99.99 111.694 -175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . 0.48 ' HA3' HD21 ' E' ' 341' ' ' LEU . . . -54.32 105.93 0.42 Allowed Glycine 0 C--N 1.35 1.321 0 O-C-N 124.552 1.158 . . . . 99.99 113.809 -171.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -66.84 94.47 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.599 0.76 . . . . 99.99 110.324 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 61.75 76.43 0.37 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.678 1.191 . . . . 99.99 110.279 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . 0.48 HD21 ' HA3' ' E' ' 338' ' ' GLY . 92.0 mt -62.67 -37.79 87.79 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.878 0.871 . . . . 99.99 111.56 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -156.57 130.15 8.22 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.399 0.679 . . . . 99.99 109.173 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.54 142.97 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.57 159.94 23.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.344 0.658 . . . . 99.99 111.025 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -75.61 -119.15 0.12 Allowed Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.337 -0.705 . . . . 99.99 111.337 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 60.72 15.99 6.3 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.327 1.051 . . . . 99.99 112.702 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 32.5 m -84.5 -21.93 30.41 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 99.99 110.752 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 16.2 tt -82.44 136.68 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.741 0.816 . . . . 99.99 110.741 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -109.44 152.74 24.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.264 -1.013 . . . . 99.99 108.264 172.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.47 -29.13 67.6 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.446 0.698 . . . . 99.99 111.873 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 63.62 21.31 12.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.83 1.252 . . . . 99.99 111.409 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.93 113.07 23.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.395 -0.821 . . . . 99.99 109.52 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' E' ' 357' ' ' PRO . 65.2 m80 -95.01 -2.15 50.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 99.99 110.512 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 75.21 148.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.906 1.682 . . . . 99.99 111.529 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.7 70.47 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.643 0.777 . . . . 99.99 111.848 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -132.65 90.92 31.55 Favored Pre-proline 0 CA--C 1.55 0.962 0 N-CA-C 108.09 -1.078 . . . . 99.99 108.09 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.523 ' HB3' ' O ' ' E' ' 353' ' ' HIS . 62.4 Cg_endo -83.4 91.51 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.009 2.473 . . . . 99.99 113.14 -173.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 58.5 m 74.93 -36.44 0.32 Allowed 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.284 1.216 . . . . 99.99 114.284 168.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 68.06 -81.36 0.19 Allowed Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.113 0.387 . . . . 99.99 112.371 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -157.58 103.2 1.92 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.318 1.047 . . . . 99.99 109.639 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . . . . . . . . . 5.5 tt -159.21 93.5 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 124.88 1.272 . . . . 99.99 108.788 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . -110.18 88.83 0.53 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.099 -0.801 . . . . 99.99 111.099 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.08 -31.66 72.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.638 0.775 . . . . 99.99 110.951 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 54.5 p 57.46 101.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.953 1.701 . . . . 99.99 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.72 143.36 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 C-N-CA 123.268 0.627 . . . . 99.99 109.81 171.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.49 113.87 14.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.116 0.567 . . . . 99.99 110.836 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 36.8 tp -82.41 -13.64 56.47 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 124.143 0.977 . . . . 99.99 111.363 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.76 -26.59 63.42 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.792 0.837 . . . . 99.99 112.108 -172.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.09 -24.21 66.66 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.09 0.956 . . . . 99.99 112.342 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -64.98 -19.11 65.82 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.788 0.435 . . . . 99.99 112.129 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.73 -36.08 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.398 0.679 . . . . 99.99 110.116 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.98 -21.0 63.27 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.383 0.673 . . . . 99.99 111.538 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -65.94 -24.08 66.74 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.881 0.873 . . . . 99.99 111.512 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.5 75.5 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.159 0.583 . . . . 99.99 112.436 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.98 -33.33 74.43 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.352 0.661 . . . . 99.99 110.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.56 -38.92 75.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.296 1.038 . . . . 99.99 111.216 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.74 -52.79 48.31 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.24 1.016 . . . . 99.99 110.879 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.7 72.15 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.987 -1.006 . . . . 99.99 112.353 -171.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.61 -49.18 69.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.475 0.71 . . . . 99.99 111.166 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -75.5 -67.91 0.62 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.805 -0.634 . . . . 99.99 110.974 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.69 111.69 23.61 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.083 -173.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 150.87 157.61 7.9 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 114.691 -1.14 . . . . 99.99 110.386 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 9.1 m120 69.02 -172.71 0.18 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.596 1.159 . . . . 99.99 111.757 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 23.8 m 73.99 -60.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.661 1.585 . . . . 99.99 111.795 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.05 -158.75 0.31 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.512 1.125 . . . . 99.99 110.44 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.86 160.3 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.989 0.515 . . . . 99.99 110.447 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 55.5 mt -132.01 103.64 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 108.158 -1.052 . . . . 99.99 108.158 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 45.0 t -80.59 133.56 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.431 0.692 . . . . 99.99 109.32 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 70.1 p -114.13 130.25 56.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.914 0.886 . . . . 99.99 109.512 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -70.89 118.97 14.34 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.881 0.472 . . . . 99.99 110.752 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.08 158.52 30.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.265 0.626 . . . . 99.99 110.586 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -153.23 101.43 2.54 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.918 0.487 . . . . 99.99 109.825 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -81.8 141.32 33.59 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.886 0.874 . . . . 99.99 109.899 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . 0.465 ' HA ' ' HB3' ' E' ' 397' ' ' GLN . 45.3 m80 -97.29 -16.32 20.37 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.702 0.801 . . . . 99.99 111.198 174.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -53.23 -48.23 68.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.817 0.847 . . . . 99.99 112.481 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 32.8 p -109.12 24.79 12.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.727 0.811 . . . . 99.99 110.492 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' E' ' 394' ' ' HIS . 0.9 OUTLIER -136.12 107.8 7.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.702 -0.851 . . . . 99.99 108.702 -173.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . 0.468 HG21 ' HA3' ' E' ' 407' ' ' GLY . 2.5 mp -71.47 118.11 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.425 1.09 . . . . 99.99 109.75 -176.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . 0.686 HG22 ' HD2' ' E' ' 401' ' ' PRO . 9.4 p -144.65 165.3 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 123.313 0.645 . . . . 99.99 110.106 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -79.89 -52.04 1.09 Allowed Pre-proline 0 CA--C 1.564 1.492 0 CA-C-O 118.584 -0.722 . . . . 99.99 112.34 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.686 ' HD2' HG22 ' E' ' 399' ' ' VAL . 91.0 Cg_endo -95.2 135.54 0.67 Allowed 'Trans proline' 0 C--N 1.39 2.718 0 C-N-CA 121.799 1.666 . . . . 99.99 113.784 172.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 65.21 102.14 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.536 1.534 . . . . 99.99 112.477 170.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 6.0 m 63.15 80.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.272 1.429 . . . . 99.99 109.694 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' E' ' 399' ' ' VAL . 94.6 mttt -74.2 -66.78 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.827 -1.079 . . . . 99.99 110.834 -172.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . 59.98 104.69 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 125.072 1.349 . . . . 99.99 111.287 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.02 95.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.961 2.441 . . . . 99.99 112.444 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . 0.468 ' HA3' HG21 ' E' ' 398' ' ' ILE . . . -88.13 46.07 3.36 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.597 -0.729 . . . . 99.99 113.624 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 57.66 20.67 6.53 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.003 1.321 . . . . 99.99 112.927 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . . . . . . . . . 3.6 t -90.63 78.07 6.29 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 108.301 -0.999 . . . . 99.99 108.301 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 65.12 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.412 1.485 . . . . 99.99 110.714 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 59.1 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.603 1.561 . . . . 99.99 113.302 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' E' ' 415' ' ' LYS . 0.6 OUTLIER -90.24 16.77 8.02 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.975 0.91 . . . . 99.99 110.922 -177.356 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 7.1 t30 66.85 -81.72 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.175 1.39 . . . . 99.99 111.079 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 8.0 p -67.19 -28.29 67.97 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.012 0.525 . . . . 99.99 110.195 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' E' ' 412' ' ' LEU . 28.7 ttpp 67.09 -75.18 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.089 1.356 . . . . 99.99 112.555 167.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.71 -31.23 71.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.005 0.922 . . . . 99.99 110.388 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 66.54 53.48 28.15 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 110.4 -1.08 . . . . 99.99 110.4 -172.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -79.44 53.71 1.59 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.906 1.283 . . . . 99.99 112.517 -167.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.7 m -157.98 174.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 124.818 1.247 . . . . 99.99 110.545 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 56.86 7.0 0.36 Allowed 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 117.003 2.223 . . . . 99.99 117.003 158.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 37.7 t -93.66 -54.25 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.065 0.848 . . . . 99.99 109.457 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' GLU . 21.7 ttt 57.99 -85.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.016 1.326 . . . . 99.99 112.038 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 32.6 t 54.83 76.41 0.25 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.818 0.847 . . . . 99.99 109.046 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -60.71 97.54 0.06 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 115.041 -0.982 . . . . 99.99 112.175 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . -92.13 11.15 72.86 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.367 -0.833 . . . . 99.99 112.794 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . 0.509 ' ND2' ' H ' ' E' ' 428' ' ' GLU . 7.3 t30 -130.94 -59.16 1.0 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.91 0.884 . . . . 99.99 109.438 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' E' ' 430' ' ' ASP . 48.1 p 38.83 37.91 0.24 Allowed 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 125.935 1.694 . . . . 99.99 113.485 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . 0.509 ' H ' ' ND2' ' E' ' 426' ' ' ASN . 23.2 mt-10 62.47 -96.46 0.06 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 125.268 1.427 . . . . 99.99 111.796 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -89.01 -27.72 20.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.908 0.483 . . . . 99.99 110.785 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . 0.403 ' HB3' ' OG ' ' E' ' 427' ' ' SER . 31.6 t70 -65.56 -60.96 2.39 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.217 0.607 . . . . 99.99 112.133 -167.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -67.62 -26.39 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.205 0.817 . . . . 99.99 113.205 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.11 -27.49 63.63 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.588 0.631 . . . . 99.99 110.799 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 52.92 46.35 26.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.136 0.974 . . . . 99.99 111.24 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 48.3 m80 69.58 -77.59 0.05 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.309 1.444 . . . . 99.99 110.651 -173.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 68.0 m 60.1 88.45 0.08 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.727 1.211 . . . . 99.99 110.213 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . -68.82 137.38 30.17 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 115.422 -0.808 . . . . 99.99 111.475 175.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 16.7 m -56.89 -39.47 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.881 0.872 . . . . 99.99 111.0 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.34 91.96 6.49 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.474 -1.239 . . . . 99.99 108.636 171.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.575 ' H ' HD13 ' E' ' 439' ' ' LEU . 0.0 OUTLIER -115.22 16.44 16.9 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.121 0.968 . . . . 99.99 110.313 175.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 59' ' ' VAL . 2.1 mpt_? -79.74 -29.76 40.64 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.544 -0.753 . . . . 99.99 110.343 -170.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 74.1 mt 71.54 -66.11 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 125.105 1.362 . . . . 99.99 112.263 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.94 -169.97 1.48 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.071 1.348 . . . . 99.99 113.261 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -63.35 149.16 46.45 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.433 1.093 . . . . 99.99 111.539 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.5 m-85 -73.56 -85.42 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.197 0.599 . . . . 99.99 111.196 -174.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . -171.03 169.15 42.24 Favored Glycine 0 C--N 1.351 1.366 0 CA-C-O 119.59 -0.561 . . . . 99.99 112.814 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -78.36 168.76 21.09 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.232 2.622 . . . . 99.99 113.086 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . 0.521 ' HA ' HG21 ' A' ' 55' ' ' VAL . 3.7 p80 -109.67 -37.86 5.56 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.604 0.362 . . . . 99.99 111.77 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 59.71 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.374 1.07 . . . . 99.99 110.427 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . . . . . . . . . . . 174.51 156.8 0.15 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.797 1.639 . . . . 99.99 108.312 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.13 165.7 31.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 109.709 -0.478 . . . . 99.99 109.709 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -27.23 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-O 121.592 0.71 . . . . 99.99 111.349 175.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 54' ' ' ASP . 31.3 m -84.96 -159.08 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-N 114.813 -1.085 . . . . 99.99 113.042 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 54' ' ' ASP . . . 170.28 118.83 0.47 Allowed Glycine 0 C--N 1.35 1.318 0 N-CA-C 109.671 -1.372 . . . . 99.99 109.671 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 56' ' ' TYR . 67.5 tp -61.78 91.23 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 117.87 0.835 . . . . 99.99 111.349 -172.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 40.1 p -86.65 115.43 24.1 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.146 0.979 . . . . 99.99 108.395 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.65 163.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.816 1.246 . . . . 99.99 111.913 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -134.56 99.81 4.46 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.14 0.976 . . . . 99.99 109.411 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 98' ' ' LEU . 55.9 m -84.42 138.03 33.05 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.508 0.723 . . . . 99.99 110.335 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.56 -176.42 3.61 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.778 0.831 . . . . 99.99 110.438 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.7 106.55 3.57 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.669 -0.696 . . . . 99.99 109.174 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -90.94 22.64 3.54 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.898 0.879 . . . . 99.99 113.053 -169.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -162.72 159.37 24.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.067 0.547 . . . . 99.99 111.397 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 39.6 m -101.96 124.83 48.24 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.302 -0.999 . . . . 99.99 108.302 170.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 1.6 tmt? -95.42 144.12 26.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.896 0.478 . . . . 99.99 110.544 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -145.78 119.89 9.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.335 1.054 . . . . 99.99 109.416 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -165.94 170.45 13.7 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.575 0.75 . . . . 99.99 110.616 172.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -154.34 165.22 37.03 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.338 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 128' ' ' LEU . 83.4 mt -98.95 124.1 43.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 124.046 0.938 . . . . 99.99 109.946 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -76.11 78.16 1.28 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.748 -0.941 . . . . 99.99 110.748 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.27 80.84 3.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 106.409 -1.7 . . . . 99.99 106.409 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 124.53 1.132 . . . . 99.99 108.329 -166.43 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.447 -0.575 . . . . 99.99 109.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 7' ' ' THR . 11.3 t 63.37 -154.75 0.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 99.99 110.825 172.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.93 91.61 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.879 1.271 . . . . 99.99 109.21 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 74.91 -17.62 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.742 1.617 . . . . 99.99 112.409 -171.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.466 ' N ' HD22 ' A' ' 5' ' ' ASN . 0.7 OUTLIER -95.92 36.44 1.3 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.195 0.998 . . . . 99.99 109.459 177.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 67.06 126.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.603 1.561 . . . . 99.99 110.528 -171.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' HA ' ' OG ' ' A' ' 2' ' ' SER . 41.5 p -67.28 -62.01 1.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.073 0.549 . . . . 99.99 110.921 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -170.98 -47.73 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.322 1.049 . . . . 99.99 109.656 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -101.83 138.05 39.31 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.97 -1.493 . . . . 99.99 106.97 170.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -151.76 145.81 25.27 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.182 0.515 . . . . 99.99 111.719 -174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' SG ' ' A' ' 102' ' ' CYS . 41.9 t80 -129.9 112.7 13.8 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.682 -1.599 . . . . 99.99 106.682 168.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -136.43 125.55 24.53 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.334 -0.617 . . . . 99.99 109.334 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.14 110.91 14.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 108.534 -0.913 . . . . 63.61 108.534 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -83.82 -37.42 22.54 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.078 0.551 . . . . 99.99 109.706 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -173.84 122.15 0.32 Allowed 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.093 -0.503 . . . . 87.02 110.487 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -108.76 133.63 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.863 -0.791 . . . . 27.8 108.863 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 4.7 p90 -164.1 177.62 8.28 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.571 1.149 . . . . 37.37 109.949 -173.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -102.19 126.1 49.08 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.507 -0.924 . . . . 12.57 108.507 171.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HE3' ' HB3' ' B' ' 28' ' ' ALA . 40.2 mtpt -87.66 -45.48 10.36 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.498 0.666 . . . . 37.56 109.598 175.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 23' ' ' PHE . 11.5 t70 -136.69 149.1 47.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.866 -1.061 . . . . 38.09 109.372 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 94.8 mt -150.7 149.8 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.865 1.666 . . . . 5.43 107.228 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -154.2 149.05 26.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.91 0.884 . . . . 6.92 109.805 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 83.2 t80 -146.75 138.34 24.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.378 -1.712 . . . . 5.61 106.378 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.0 127.14 18.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.739 -0.837 . . . . 36.27 108.739 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.07 75.82 46.7 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 107.637 -1.246 . . . . 12.68 107.637 173.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.41 -26.97 28.71 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.227 1.951 . . . . 32.78 111.396 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 79.5 m-20 -98.9 15.29 26.07 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 123.921 0.888 . . . . 80.05 111.276 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' HE3' ' B' ' 19' ' ' LYS . . . -47.44 -47.36 58.87 Favored Pre-proline 0 N--CA 1.501 2.108 0 N-CA-C 114.015 1.117 . . . . 31.49 114.015 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.77 -16.7 26.34 Favored 'Trans proline' 0 C--N 1.39 2.76 0 C-N-CA 122.378 2.052 . . . . 44.68 112.773 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' HA ' HE21 ' A' ' 33' ' ' GLN . 13.4 t-80 -96.83 -21.01 17.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.946 0.898 . . . . 99.99 112.322 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' ASN . 98.8 t -67.52 -30.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 123.122 0.569 . . . . 99.99 110.476 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -64.95 -33.86 77.05 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.729 -0.668 . . . . 99.99 110.899 174.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 30' ' ' HIS . 51.0 mt-30 -79.93 -38.06 33.25 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.016 0.926 . . . . 99.99 110.737 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 71' ' ' GLU . 4.3 tppp? -81.84 157.18 24.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.723 0.809 . . . . 99.99 110.074 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.15 123.13 19.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.361 0.665 . . . . 99.99 110.0 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -79.2 80.74 5.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.434 0.635 . . . . 99.99 109.677 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -144.53 67.64 14.49 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.462 1.105 . . . . 99.99 108.674 166.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' HB3' ' A' ' 68' ' ' LEU . 94.8 Cg_endo -83.9 169.31 11.85 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.423 2.082 . . . . 57.34 113.121 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.95 95.56 9.14 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.036 -1.468 . . . . 99.99 107.036 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HB2' ' E' ' 468' ' ' LEU . 0.3 OUTLIER -70.81 88.81 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 122.129 0.966 . . . . 48.36 108.959 171.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -79.03 154.8 29.19 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.051 1.74 . . . . 99.99 109.15 173.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 ' SD ' ' E' ' 464' ' ' MET . 1.8 pt? -134.36 121.16 20.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.491 0.662 . . . . 97.85 110.104 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 12.6 m-20 -103.22 152.96 20.88 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.976 1.711 . . . . 85.15 108.402 174.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.51 142.49 39.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.423 0.63 . . . . 99.99 109.846 -175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HA ' ' HB2' ' E' ' 460' ' ' LEU . 9.9 t70 -138.67 141.19 39.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.41 1.484 . . . . 78.84 107.739 176.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 m -138.92 128.24 24.21 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.527 -0.916 . . . . 43.33 108.527 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.97 17.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.881 -0.6 . . . . 41.53 110.115 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -88.56 149.95 23.33 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.58 -0.896 . . . . 88.8 108.58 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 t -152.25 126.52 9.26 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 122.742 0.417 . . . . 73.87 110.143 -169.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -81.58 105.53 12.81 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.692 -0.855 . . . . 99.99 108.692 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 57' ' ' GLU . 35.8 mt -78.02 -38.45 44.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.898 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' E' ' 251' ' ' ALA . . . -164.99 -174.05 3.16 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.209 -1.36 . . . . 99.99 109.495 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' E' ' 251' ' ' ALA . 34.1 t70 -61.53 107.68 0.84 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.805 0.842 . . . . 99.99 110.671 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.25 4.38 4.14 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 125.821 1.648 . . . . 99.99 113.021 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.39 111.46 30.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.622 -1.251 . . . . 99.99 107.622 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -122.91 160.08 26.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.204 1.002 . . . . 99.99 109.668 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.617 ' HB2' HD11 ' A' ' 51' ' ' LEU . 38.7 tt0 -133.27 155.71 48.89 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.381 1.072 . . . . 57.04 109.939 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -130.51 120.32 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 107.645 -1.243 . . . . 54.22 107.645 167.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 64.0 t -98.99 132.1 44.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.278 -0.638 . . . . 29.36 109.278 175.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 106.01 16.02 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.677 -1.231 . . . . 19.86 107.677 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 10.9 ttt180 -101.34 101.17 11.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.687 0.795 . . . . 99.99 108.911 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.2 130.34 43.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 108.03 -1.1 . . . . 13.6 108.03 173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 43' ' ' ASP . 27.8 m -120.47 121.24 38.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.932 -0.766 . . . . 17.22 108.932 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 78.7 t -111.01 104.53 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.329 1.052 . . . . 14.92 108.48 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -109.67 126.94 54.19 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.478 -0.564 . . . . 21.43 109.478 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.65 116.73 31.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.671 -0.863 . . . . 23.61 108.671 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -149.95 125.93 10.55 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.913 0.485 . . . . 57.75 110.792 176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -90.96 85.28 5.92 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.049 0.928 . . . . 99.99 108.626 171.089 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.03 -111.84 3.42 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 114.224 -1.353 . . . . 93.1 111.892 -174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -88.72 -26.61 21.69 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.449 0.7 . . . . 99.99 110.792 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 14.3 tp10 -78.44 112.58 15.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.963 0.905 . . . . 99.99 109.648 -178.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -87.97 132.67 34.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.985 0.421 . . . . 30.12 110.419 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.58 -54.65 4.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 22.88 109.008 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -159.42 174.97 13.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.963 -1.017 . . . . 30.01 111.031 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.2 tp -141.63 132.77 26.29 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 125.245 1.418 . . . . 14.44 107.422 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 78.3 m -128.23 143.78 51.06 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.585 1.154 . . . . 14.43 108.749 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.86 134.09 18.35 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.87 -0.789 . . . . 35.14 108.87 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 HG13 ' A' ' 114' ' ' ILE . 62.1 t -142.1 108.77 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.835 0.854 . . . . 9.47 109.099 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HG2' ' HB2' ' A' ' 61' ' ' ARG . 63.2 mt-30 -85.78 81.28 8.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.474 0.709 . . . . 43.33 109.397 169.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -76.36 92.45 3.35 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.164 -0.925 . . . . 15.31 108.772 175.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -85.66 143.46 19.96 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.706 -0.558 . . . . 20.02 111.706 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.14 122.87 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 110.303 -1.119 . . . . 41.88 110.303 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.8 mt -81.76 127.71 39.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 C-N-CA 123.53 0.732 . . . . 66.87 109.046 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.06 119.22 20.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.309 0.643 . . . . 77.52 109.327 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.0 m -76.11 107.67 8.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.495 -0.928 . . . . 99.99 108.495 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' SD ' ' A' ' 94' ' ' MET . 2.6 pp -133.3 134.42 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.824 0.85 . . . . 99.99 109.528 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' MET . . . -174.23 167.51 4.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.688 1.195 . . . . 99.99 109.923 -176.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.88 -8.7 76.24 Favored Glycine 0 C--N 1.351 1.392 0 O-C-N 123.387 0.429 . . . . 99.99 113.335 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.643 HG12 ' HB2' ' A' ' 94' ' ' MET . 0.2 OUTLIER -139.86 178.42 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.796 1.238 . . . . 99.99 109.395 178.302 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.78 -170.64 2.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.28 0.632 . . . . 99.99 111.029 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.34 -155.64 52.62 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-N 115.426 -0.806 . . . . 99.99 113.156 170.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 40.4 p -66.07 -17.93 65.02 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.149 0.98 . . . . 99.99 111.872 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.52 -56.79 13.26 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.121 0.969 . . . . 99.99 109.544 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.643 ' HB2' HG12 ' A' ' 89' ' ' ILE . 27.8 ttp -75.65 -33.22 60.44 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.57 -0.286 . . . . 99.99 110.726 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 92' ' ' THR . . . -62.99 -37.99 89.36 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 115.794 -0.639 . . . . 99.99 112.166 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -68.97 -23.89 64.18 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 118.335 0.516 . . . . 99.99 110.972 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 t -73.98 -64.06 1.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.895 -0.593 . . . . 99.99 109.417 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 102' ' ' CYS . 2.4 pp -77.92 -15.03 59.33 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.262 1.208 . . . . 99.99 114.262 -170.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.99 -1.21 51.77 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-O 119.701 -0.5 . . . . 99.99 112.925 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 134' ' ' ASP . . . -147.62 -56.81 0.24 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 117.118 0.459 . . . . 95.56 111.614 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 105' ' ' ILE . 93.4 t80 -68.29 -45.7 72.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.335 0.654 . . . . 94.48 111.369 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 98' ' ' LEU . 81.5 m -65.25 -49.66 63.84 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-O 118.325 -0.845 . . . . 73.2 112.312 -175.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.64 -20.05 68.5 Favored 'Trans proline' 0 C--N 1.398 3.146 0 C-N-CA 121.701 1.601 . . . . 48.9 112.838 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -73.5 -38.42 65.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.408 0.683 . . . . 94.19 110.115 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 101' ' ' TYR . 43.4 mm -78.33 -26.69 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 123.269 0.628 . . . . 55.88 110.384 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD21 ' HA3' ' A' ' 82' ' ' GLY . 85.5 mt -75.28 -18.94 59.94 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.652 0.781 . . . . 21.71 111.289 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -42.52 53.85 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-O 117.621 -1.181 . . . . 15.39 113.891 -171.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.19 -34.12 57.51 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 122.296 1.997 . . . . 9.95 113.755 170.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.65 -40.31 25.79 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.578 0.751 . . . . 20.66 111.234 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.66 92.18 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.814 0.446 . . . . 7.34 110.131 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -47.16 -50.64 20.08 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.913 1.685 . . . . 15.45 111.1 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -72.06 -39.29 69.16 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.364 1.04 . . . . 46.26 111.486 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.496 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.4 t -61.63 -36.18 80.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.114 0.565 . . . . 4.41 110.898 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG13 HG21 ' A' ' 78' ' ' VAL . 47.6 mt -71.87 -44.47 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.778 1.231 . . . . 7.34 110.228 174.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.1 m -55.0 -41.73 71.63 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.264 1.026 . . . . 7.28 111.374 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 24.1 t -72.52 -45.31 59.95 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.225 -0.898 . . . . 4.96 110.188 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 29.8 ttp -68.29 -33.47 74.4 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.614 -0.721 . . . . 48.88 111.89 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 76' ' ' CYS . 35.0 m -71.36 -39.31 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.019 -0.537 . . . . 26.6 110.273 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' D' ' 119' ' ' SER . 92.0 p -74.57 -18.69 60.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 17.97 111.385 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 116' ' ' SER . 93.3 mtt-85 -72.17 -37.22 69.4 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.716 0.806 . . . . 8.38 109.622 169.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.13 8.12 53.23 Favored Glycine 0 C--N 1.353 1.528 0 CA-C-N 115.557 -0.747 . . . . 6.18 113.559 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.7 m 72.45 11.94 5.65 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 124.943 1.297 . . . . 20.1 111.462 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.58 152.96 55.34 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.638 0.775 . . . . 13.71 109.604 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.4 164.32 15.54 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.297 2.665 . . . . 20.05 114.358 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' HB3' ' NH2' ' C' ' 15' ' ' ARG . 31.9 tt0 -65.65 126.32 28.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.447 -0.797 . . . . 39.31 109.463 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.89 106.52 11.72 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.296 -1.001 . . . . 56.76 108.296 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' C' ' 16' ' ' ILE . 1.0 OUTLIER -104.79 102.13 11.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.775 0.83 . . . . 38.41 108.941 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD21 HD11 ' E' ' 468' ' ' LEU . 24.6 mt -73.3 134.28 44.15 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.81 0.338 . . . . 62.97 111.025 175.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.76 153.3 95.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 123.512 0.725 . . . . 56.46 110.05 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HG3' ' OH ' ' C' ' 101' ' ' TYR . 22.8 Cg_endo -57.12 123.9 14.94 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.351 2.034 . . . . 77.42 111.04 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.7 t -99.19 131.52 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.699 -0.852 . . . . 99.99 108.699 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -82.59 82.53 7.94 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.079 0.952 . . . . 99.99 109.5 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -69.84 -24.5 63.45 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.427 0.691 . . . . 99.99 110.512 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.49 ' HA ' ' HB1' ' A' ' 100' ' ' ALA . 2.1 m-20 -67.33 -33.33 75.03 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.867 1.267 . . . . 99.99 110.334 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.59 89.72 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.173 0.989 . . . . 99.99 111.094 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.08 -38.08 45.07 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.073 -0.967 . . . . 99.99 110.168 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.403 ' CD2' ' HZ ' ' E' ' 461' ' ' PHE . 5.5 t80 -72.46 -22.8 61.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.767 0.427 . . . . 99.99 110.75 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 40.2 tpp -59.2 -27.25 65.55 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.748 0.819 . . . . 99.99 110.889 175.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -73.8 -48.46 31.29 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.359 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -54.06 -39.76 66.53 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.091 0.556 . . . . 99.99 110.44 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.52 -10.87 28.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.561 1.544 . . . . 99.99 112.088 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -143.09 16.76 1.92 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.349 0.66 . . . . 99.99 110.501 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -115.83 -9.54 11.84 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.71 0.804 . . . . 99.99 110.323 169.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 52.78 88.73 0.03 OUTLIER 'General case' 0 C--N 1.368 1.374 0 C-N-CA 124.911 1.284 . . . . 99.99 111.126 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 65.46 -89.34 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.508 1.123 . . . . 99.99 110.242 -171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.41 -98.2 0.12 Allowed Glycine 0 C--N 1.344 1.002 0 N-CA-C 111.547 -0.621 . . . . 99.99 111.547 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.38 -72.25 0.44 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.971 0.509 . . . . 99.99 109.913 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.2 -79.82 0.34 Allowed Glycine 0 C--N 1.343 0.947 0 N-CA-C 110.673 -0.971 . . . . 99.99 110.673 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 31.7 p -131.42 -48.52 0.99 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.071 0.948 . . . . 99.99 108.9 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 59.24 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.045 1.738 . . . . 99.99 110.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.78 162.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.295 1.438 . . . . 99.99 112.771 169.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -69.17 -13.32 62.35 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.024 168.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.466 ' HB2' ' HB2' ' E' ' 449' ' ' ALA . 65.0 tt0 -57.72 -19.97 31.09 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.985 1.314 . . . . 99.99 111.81 169.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.54 26.13 2.0 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.637 1.175 . . . . 99.99 110.283 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.37 0 C-N-CA 124.417 1.087 . . . . 99.99 110.572 -175.065 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.501 0.191 . . . . 99.99 110.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -81.16 -150.82 0.08 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 123.051 0.54 . . . . 99.99 110.145 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 59.23 77.42 0.31 Allowed 'General case' 0 C--N 1.369 1.416 0 C-N-CA 124.217 1.007 . . . . 99.99 108.466 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' B' ' 8' ' ' GLU . 23.2 mt-30 -70.24 83.21 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.207 -1.361 . . . . 99.99 112.421 -166.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 30.9 t30 47.04 -92.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.32 1.448 . . . . 99.99 112.188 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -157.25 -45.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.127 1.371 . . . . 99.99 108.494 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -140.03 72.97 1.41 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-N 115.194 -0.912 . . . . 99.99 109.844 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' B' ' 4' ' ' GLN . 39.4 mm-40 -109.11 128.28 54.87 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.337 -0.986 . . . . 99.99 108.337 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 87' ' ' ALA . 4.3 ptm 65.82 169.63 0.22 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.254 1.821 . . . . 99.99 112.559 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -156.79 143.94 18.79 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.779 0.831 . . . . 99.99 109.377 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 85' ' ' SER . 36.6 p90 -150.88 152.22 33.35 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.73 0.812 . . . . 93.55 110.201 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.478 HE21 ' HA ' ' B' ' 12' ' ' GLN . 0.0 OUTLIER -135.92 119.09 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.715 0.806 . . . . 99.99 108.947 177.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 105' ' ' ILE . 17.8 tt -74.7 137.15 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-O 121.091 0.472 . . . . 40.88 110.894 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -106.47 -49.11 3.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.38 1.072 . . . . 85.25 110.815 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -158.04 144.92 17.84 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.508 -0.315 . . . . 95.33 110.563 -170.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.542 HG23 HD22 ' B' ' 106' ' ' LEU . 21.7 mt -114.08 144.01 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 108.033 -1.099 . . . . 13.6 108.033 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -162.38 152.04 16.03 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.077 0.551 . . . . 23.1 110.351 175.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.618 HG21 HD11 ' B' ' 21' ' ' ILE . 27.8 m -82.9 127.26 33.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 108.832 -0.803 . . . . 6.51 108.832 173.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 28' ' ' ALA . 39.9 mtpt -96.66 -38.91 9.74 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.893 0.477 . . . . 19.94 110.373 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -138.0 143.13 40.48 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.968 -0.382 . . . . 37.8 109.968 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.618 HD11 HG21 ' B' ' 18' ' ' THR . 44.8 mm -130.02 150.29 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.477 -1.305 . . . . 5.14 107.477 168.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.499 ' HB3' ' HB3' ' B' ' 77' ' ' GLU . 34.4 t -151.7 151.29 31.24 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.784 -0.821 . . . . 19.25 108.784 169.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 85.9 t80 -159.77 124.02 3.82 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 106.434 -1.691 . . . . 9.84 106.434 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -135.46 114.04 11.73 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.537 0.608 . . . . 50.65 110.041 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -120.92 87.68 43.47 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.082 0.953 . . . . 18.09 108.866 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.37 -49.99 0.79 Allowed 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.732 2.288 . . . . 31.77 111.193 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -89.71 29.04 1.21 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.695 0.798 . . . . 49.39 110.511 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.552 ' HB1' ' HE2' ' A' ' 17' ' ' TYR . . . -49.09 -54.12 31.91 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.991 1.316 . . . . 51.5 113.69 174.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -83.3 0.41 9.53 Favored 'Trans proline' 0 C--N 1.389 2.697 0 C-N-CA 122.006 1.804 . . . . 70.98 113.005 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -96.18 -5.6 40.17 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.035 0.934 . . . . 99.99 110.609 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.55 -28.89 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 124.449 1.1 . . . . 99.99 113.064 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -53.94 -43.75 70.09 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.831 0.852 . . . . 99.99 112.433 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -87.2 -16.52 35.07 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.388 -0.824 . . . . 99.99 111.641 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -108.42 84.35 1.92 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.221 0.609 . . . . 98.87 110.659 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -103.66 93.44 4.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.689 -0.687 . . . . 99.99 110.038 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -161.8 -177.89 6.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.19 0.996 . . . . 99.99 109.712 172.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -76.53 120.6 82.35 Favored Pre-proline 0 CA--C 1.552 1.048 0 N-CA-C 109.105 -0.702 . . . . 99.99 109.105 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.47 149.38 30.84 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.082 1.855 . . . . 63.52 112.94 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' ALA . 46.4 mt-10 -54.83 126.94 26.28 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.596 0.759 . . . . 99.99 110.386 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.575 HG21 HG23 ' E' ' 307' ' ' THR . 16.3 m -94.94 122.85 46.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 CA-C-O 121.328 0.585 . . . . 72.1 109.7 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.459 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 3.9 mppt? -134.21 144.45 48.45 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.71 1.204 . . . . 99.99 108.646 175.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.498 HD22 ' H ' ' E' ' 7' ' ' ALA . 3.4 pp -127.26 168.4 14.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.325 1.05 . . . . 96.73 110.283 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.473 ' HB3' ' HB ' ' B' ' 63' ' ' THR . 20.5 t70 -162.72 135.42 5.65 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.256 -0.646 . . . . 92.63 109.256 169.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' E' ' 8' ' ' LEU . 5.2 mp -101.1 133.11 46.12 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.332 -0.618 . . . . 67.27 109.332 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.693 ' HB3' ' HB3' ' B' ' 61' ' ' ARG . 25.8 t70 -124.56 141.43 52.1 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 58.71 108.274 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -109.42 133.31 53.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.914 0.485 . . . . 66.97 110.111 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.39 124.16 14.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.686 -0.857 . . . . 35.64 108.686 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 p -142.44 161.66 37.48 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.711 0.404 . . . . 74.75 111.106 -176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -152.54 160.81 43.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.83 0.852 . . . . 43.74 109.478 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -102.0 127.07 49.03 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.311 -0.625 . . . . 89.61 109.311 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 57' ' ' GLU . 24.4 mt -99.04 -37.58 9.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.436 0.695 . . . . 71.01 110.052 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -167.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.106 0.962 . . . . 85.91 110.242 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.8 113.38 4.84 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.334 -0.848 . . . . 99.99 109.908 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 68.99 -1.69 2.0 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.27 1.428 . . . . 99.99 112.77 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 85' ' ' SER . 74.4 t -101.6 115.17 42.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 107.861 -1.163 . . . . 76.71 107.861 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -130.8 145.6 52.02 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.516 0.726 . . . . 98.07 109.136 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.548 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.8 tt0 -99.77 103.25 14.87 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 107.618 -1.252 . . . . 46.84 107.618 174.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.468 ' HB ' ' HE1' ' B' ' 84' ' ' PHE . 84.7 t -98.48 117.97 44.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.524 -0.917 . . . . 57.34 108.524 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.76 146.79 14.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 124.859 1.264 . . . . 21.57 107.971 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.438 HD21 HD23 ' B' ' 44' ' ' LEU . 26.6 tp -125.55 130.59 52.01 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.531 -0.914 . . . . 62.33 108.531 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' B' ' 45' ' ' ASP . 21.5 ttt85 -104.69 118.96 37.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.161 0.984 . . . . 95.32 109.064 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.743 HG11 HD21 ' B' ' 128' ' ' LEU . 67.8 t -102.44 109.94 27.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 125.17 1.388 . . . . 14.84 108.512 -174.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' B' ' 43' ' ' ASP . 25.1 m -98.69 133.09 43.51 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.416 0.686 . . . . 28.15 109.257 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.589 HG21 HG21 ' B' ' 114' ' ' ILE . 49.9 t -125.64 127.49 71.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.424 1.489 . . . . 18.14 108.237 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 95.5 m -126.23 136.22 52.54 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.907 0.883 . . . . 24.35 108.915 175.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' B' ' 39' ' ' GLU . . . -144.0 134.46 24.7 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.969 -0.752 . . . . 26.44 108.969 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.52 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 54.6 p -145.83 129.29 16.91 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.837 0.455 . . . . 56.64 111.483 -170.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -93.49 98.59 11.29 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.123 -1.066 . . . . 62.67 108.123 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.43 -110.64 3.24 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.984 -0.846 . . . . 81.37 110.984 -174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.442 ' HG2' ' HE ' ' E' ' 314' ' ' ARG . 0.0 OUTLIER -123.93 22.93 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.476 1.11 . . . . 99.99 111.243 -176.255 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.09 143.41 51.06 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.632 0.773 . . . . 99.99 109.504 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -68.68 111.75 5.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 122.849 0.46 . . . . 33.32 110.55 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.52 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -72.69 -62.2 1.54 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.618 -0.882 . . . . 25.99 108.618 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -148.93 156.44 42.29 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.919 0.866 . . . . 18.76 111.406 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -124.28 153.29 41.93 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.834 1.654 . . . . 16.93 106.704 171.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' B' ' 114' ' ' ILE . 37.9 t -156.94 128.22 6.91 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.399 -0.963 . . . . 12.76 108.399 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 22' ' ' SER . 45.1 tt0 -142.38 121.61 13.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.517 -0.92 . . . . 30.38 108.517 -172.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.456 HG13 HD13 ' B' ' 21' ' ' ILE . 92.0 t -127.56 148.98 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.256 0.622 . . . . 8.91 110.575 -173.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.2 112.32 22.96 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.918 -1.142 . . . . 33.15 107.918 166.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.73 103.89 14.67 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.462 -1.31 . . . . 11.26 107.462 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.41 161.18 29.8 Favored Glycine 0 C--N 1.338 0.677 0 O-C-N 123.976 0.797 . . . . 11.78 112.228 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -156.8 135.17 4.34 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 111.282 -0.727 . . . . 23.01 111.282 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -86.01 128.92 38.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.864 -0.791 . . . . 39.34 108.864 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.468 ' HE1' ' HB ' ' B' ' 58' ' ' VAL . 0.0 OUTLIER -144.78 176.4 9.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.941 -0.763 . . . . 63.88 108.941 173.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 11' ' ' PHE . 17.2 p -122.42 89.1 3.05 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.605 -0.517 . . . . 82.93 109.605 170.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.814 ' HB ' HG11 ' E' ' 18' ' ' VAL . 0.1 OUTLIER -109.67 115.35 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 108.539 -0.911 . . . . 98.2 108.539 -167.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 9' ' ' MET . . . -158.58 174.32 15.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.374 0.27 . . . . 99.99 111.475 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.19 -75.16 0.22 Allowed Glycine 0 C--N 1.347 1.144 0 C-N-CA 124.343 0.973 . . . . 99.99 113.096 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.428 HG12 ' NE2' ' B' ' 4' ' ' GLN . 2.7 pp -96.75 171.2 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 117.789 0.794 . . . . 99.99 111.59 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -151.95 176.8 11.11 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.3 0.64 . . . . 99.99 111.715 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.9 -133.53 13.15 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 115.545 -0.752 . . . . 99.99 114.365 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 69.1 m -64.69 -41.44 96.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.86 1.264 . . . . 99.99 111.445 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 96' ' ' HIS . 25.1 mp0 -65.31 -34.94 79.52 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.659 -1.155 . . . . 99.99 109.721 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.546 ' SD ' HG22 ' E' ' 18' ' ' VAL . 20.1 ttp -77.96 -33.91 51.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.883 -1.053 . . . . 99.99 110.852 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.63 -19.3 65.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.028 0.531 . . . . 99.99 110.832 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' B' ' 93' ' ' GLN . 28.1 t-80 -72.24 -47.89 46.84 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.411 0.684 . . . . 99.99 110.297 168.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 84.8 m -77.34 -63.51 1.36 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.94 0.496 . . . . 99.99 111.324 -173.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -65.14 -17.18 64.26 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.791 0.837 . . . . 71.23 113.102 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.6 -14.29 55.64 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-O 119.548 -0.585 . . . . 59.87 113.596 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -135.58 -66.22 0.57 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.511 0.655 . . . . 71.19 112.171 -173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.69 -43.55 68.81 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.823 0.849 . . . . 99.99 112.038 -167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 39.2 m -72.0 -46.2 11.59 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 123.315 0.646 . . . . 50.37 112.711 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -2.23 12.38 Favored 'Trans proline' 0 C--N 1.391 2.814 0 C-N-CA 121.836 1.69 . . . . 36.29 113.768 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.81 -32.29 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.373 0.669 . . . . 87.59 111.615 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.756 HD13 HD13 ' B' ' 13' ' ' ILE . 12.3 tt -79.55 -27.49 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 123.329 0.652 . . . . 37.19 111.237 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.542 HD22 HG23 ' B' ' 16' ' ' ILE . 13.0 mt -82.75 -21.09 34.82 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.819 0.847 . . . . 13.07 109.663 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' B' ' 108' ' ' PRO . 48.8 t80 -59.3 -44.73 98.7 Favored Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.765 1.626 . . . . 99.99 113.662 -171.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 107' ' ' PHE . 21.6 Cg_endo -59.2 -29.45 90.43 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.601 2.201 . . . . 10.37 112.992 174.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -82.61 -44.35 15.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.738 0.815 . . . . 12.29 111.068 -176.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.18 81.24 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 109.502 -0.555 . . . . 8.75 109.502 173.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.671 ' HB2' ' HB2' ' B' ' 128' ' ' LEU . 29.7 ttt-85 -54.96 -59.94 4.05 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 124.365 1.041 . . . . 59.14 111.115 173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.41 -28.54 66.24 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.96 0.787 . . . . 51.9 110.785 -169.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' B' ' 117' ' ' MET . 34.5 m -59.2 -46.55 88.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.527 0.731 . . . . 13.3 110.901 170.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.611 ' HA ' ' SG ' ' B' ' 76' ' ' CYS . 88.4 mt -70.01 -48.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.876 0.87 . . . . 9.86 111.334 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 52.9 m -61.01 -44.99 96.6 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.675 1.19 . . . . 13.13 111.176 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' B' ' 120' ' ' ARG . 43.6 t -71.0 -34.48 71.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.451 -0.795 . . . . 8.02 111.001 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 21' ' ' ILE . 2.7 tpp -67.43 -35.39 79.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.792 0.437 . . . . 26.78 110.299 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 114' ' ' ILE . 98.8 t -73.15 -37.5 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.201 1.001 . . . . 13.3 110.4 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 47.9 t -61.24 -39.42 90.26 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.888 0.875 . . . . 29.79 110.762 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.496 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 86.6 mtt-85 -69.74 -36.68 76.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.735 0.814 . . . . 11.55 110.313 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -72.6 -3.75 59.45 Favored Glycine 0 C--N 1.355 1.617 0 O-C-N 123.868 0.73 . . . . 16.97 113.316 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.461 HG22 ' ND2' ' C' ' 127' ' ' ASN . 31.1 p 59.71 26.62 15.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.153 1.781 . . . . 23.15 111.813 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.512 ' HZ ' ' HA ' ' B' ' 28' ' ' ALA . 39.4 m-85 -89.12 160.02 43.9 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.706 1.202 . . . . 23.84 109.57 172.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.23 127.16 21.14 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.092 2.528 . . . . 29.89 112.796 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.403 ' HB3' HE21 ' C' ' 125' ' ' GLN . 4.8 pm0 -55.19 149.41 12.52 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.215 1.406 . . . . 99.99 112.924 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.489 HD21 HG21 ' E' ' 6' ' ' ILE . 3.3 tm? -144.45 113.87 7.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 72.13 108.363 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 136.53 48.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.757 0.823 . . . . 73.04 110.234 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.743 HD21 HG11 ' B' ' 62' ' ' VAL . 9.4 mp -71.29 120.41 16.83 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.714 0.806 . . . . 90.81 109.633 166.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' E' ' 306' ' ' VAL . . . -85.53 144.83 40.82 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.261 0.624 . . . . 43.15 111.702 -179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.65 92.5 1.12 Allowed 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.856 2.371 . . . . 61.27 112.127 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -107.73 124.86 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.184 0.594 . . . . 99.57 110.971 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -78.89 74.32 5.42 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 107.862 -1.162 . . . . 99.99 107.862 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -85.42 -21.64 28.69 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.861 -1.063 . . . . 99.99 111.468 -170.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.62 -28.6 67.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.056 0.542 . . . . 99.99 110.962 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.19 -46.48 67.37 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.68 -0.691 . . . . 99.99 110.947 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.28 -20.23 60.87 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 119.644 -0.217 . . . . 99.99 110.704 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . 0.448 ' HE2' ' H ' ' E' ' 11' ' ' LEU . 10.7 t80 -69.24 -48.66 61.26 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.625 1.17 . . . . 99.99 108.856 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -62.18 -38.34 88.7 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.378 -1.283 . . . . 99.99 109.493 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -76.41 -29.0 56.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.754 -1.566 . . . . 99.99 110.743 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.01 -33.55 76.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.616 1.167 . . . . 99.99 110.315 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 137' ' ' PHE . 50.5 mt -76.76 -7.12 54.79 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.688 -0.687 . . . . 99.99 111.229 -177.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.04 -2.76 56.51 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.936 0.894 . . . . 99.99 111.676 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -132.57 157.08 45.64 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.14 -0.689 . . . . 99.99 109.14 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? 68.65 -78.1 0.05 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.311 1.444 . . . . 99.99 109.454 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . 58.39 -81.76 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.607 1.163 . . . . 99.99 110.21 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.54 72.52 Favored Glycine 0 C--N 1.359 1.818 0 C-N-CA 123.754 0.692 . . . . 99.99 114.179 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -102.52 -82.79 0.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.437 -0.949 . . . . 99.99 108.437 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 65.7 85.64 0.07 OUTLIER Glycine 0 C--N 1.358 1.8 0 CA-C-O 119.755 -0.47 . . . . 99.99 112.095 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 4.3 t -52.75 103.63 0.07 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.428 1.091 . . . . 99.99 113.315 -170.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -158.85 100.68 1.6 Allowed 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.81 -1.182 . . . . 99.99 107.81 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.98 11.74 5.34 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.873 1.269 . . . . 99.99 112.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.21 -53.75 4.22 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.502 0.721 . . . . 99.99 110.766 -171.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -94.54 30.28 2.05 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.157 0.583 . . . . 99.99 110.324 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t70 68.44 -72.88 0.09 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.36 1.464 . . . . 99.99 110.964 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 C-N-CA 124.063 0.945 . . . . 99.99 108.709 177.05 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.518 -0.549 . . . . 99.99 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -156.79 82.07 0.95 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.972 -1.121 . . . . 99.99 107.972 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.761 ' HB3' ' HA2' ' C' ' 91' ' ' GLY . 2.7 mp0 -81.73 0.42 39.09 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.252 -0.885 . . . . 99.99 111.863 -173.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 71.32 122.36 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.946 1.699 . . . . 99.99 112.699 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.18 -29.69 11.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.607 1.163 . . . . 99.99 109.837 172.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -53.66 136.73 38.8 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.332 1.053 . . . . 99.99 111.773 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 42.4 m 78.2 -41.27 0.31 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.768 1.627 . . . . 99.99 113.117 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 63.4 48.11 3.66 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.326 1.051 . . . . 99.99 109.563 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' C' ' 88' ' ' GLY . 26.1 ttm 65.92 141.67 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.019 1.728 . . . . 99.99 113.728 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.406 ' H ' ' HA3' ' C' ' 88' ' ' GLY . 26.4 m -119.32 114.78 22.9 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 107.467 -1.309 . . . . 99.99 107.467 166.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -125.48 145.32 50.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.599 0.76 . . . . 99.99 110.543 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 8.0 tt0 -158.14 133.53 8.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.148 0.979 . . . . 99.99 109.276 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -91.67 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 107.735 -1.209 . . . . 56.3 107.735 167.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.403 ' HB2' ' HB ' ' C' ' 83' ' ' ILE . 35.4 mt-30 -115.62 -56.0 2.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 118.261 0.482 . . . . 93.16 111.278 176.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 125' ' ' GLN . 38.6 mtp85 -159.14 165.69 33.19 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.197 0.999 . . . . 99.99 110.373 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . 0.54 ' H ' ' ND2' ' A' ' 127' ' ' ASN . 3.3 mp -122.59 151.33 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 106.866 -1.531 . . . . 11.74 106.866 169.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -173.26 157.57 3.4 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.858 0.863 . . . . 19.28 110.134 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . 0.619 HG22 HE22 ' C' ' 80' ' ' GLN . 66.4 p -85.83 117.23 24.56 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.815 -0.439 . . . . 6.91 109.815 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 12.4 mmmm -73.97 -48.1 32.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.946 0.879 . . . . 21.95 109.101 173.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 10.3 t70 -145.52 132.16 19.92 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 113.942 -1.481 . . . . 50.62 108.741 -168.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -131.13 132.95 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.492 -1.299 . . . . 5.12 107.492 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -150.98 153.05 34.44 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.254 0.55 . . . . 9.28 111.343 -173.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.407 ' HZ ' ' HE2' ' C' ' 123' ' ' PHE . 90.1 t80 -155.84 115.41 3.61 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 114.799 -1.091 . . . . 8.82 108.877 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -117.5 119.25 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.049 -0.723 . . . . 30.58 109.049 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.43 91.35 11.7 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.099 -1.445 . . . . 12.04 107.099 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.13 -45.45 27.68 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.293 2.662 . . . . 30.41 112.656 -171.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.486 ' O ' HG23 ' C' ' 31' ' ' VAL . 62.0 m-80 -112.2 36.34 3.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.501 -0.772 . . . . 61.38 110.057 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -40.99 -48.91 7.89 Favored Pre-proline 0 CA--C 1.569 1.685 0 N-CA-C 115.612 1.708 . . . . 26.66 115.612 -175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' D' ' 51' ' ' LEU . 1.2 Cg_endo -78.02 -36.5 1.05 Allowed 'Trans proline' 0 C--N 1.391 2.803 0 C-N-CA 121.868 1.712 . . . . 35.22 111.931 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.1 -26.24 67.37 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.844 1.258 . . . . 48.75 112.533 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.508 ' HA ' ' HE2' ' C' ' 34' ' ' LYS . 95.3 t -56.6 -31.05 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 122.96 0.504 . . . . 55.24 111.32 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.75 -42.23 92.76 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.796 1.036 . . . . 99.99 113.796 -169.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -101.98 30.68 4.29 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.521 . . . . 97.11 111.169 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' C' ' 31' ' ' VAL . 28.0 ttpt -119.75 157.45 28.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.968 0.907 . . . . 88.6 110.84 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.92 133.89 40.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.412 1.085 . . . . 99.99 110.464 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.63 ' HB3' ' HB3' ' E' ' 297' ' ' TYR . 13.5 m95 -85.31 89.48 7.67 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.991 0.917 . . . . 99.99 111.459 -172.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -150.8 60.08 3.82 Favored Pre-proline 0 N--CA 1.498 1.94 0 C-N-CA 123.591 0.756 . . . . 99.99 110.554 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.78 143.46 18.6 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.045 1.83 . . . . 68.93 112.117 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.12 90.78 7.95 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 106.895 -1.52 . . . . 99.99 106.895 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 t -81.8 100.81 6.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.667 -1.151 . . . . 87.15 109.031 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -109.94 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.414 1.086 . . . . 99.99 109.334 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.01 128.76 35.08 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.67 -0.863 . . . . 94.05 108.67 173.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' C' ' 63' ' ' THR . 4.0 m-20 -117.34 127.78 54.4 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.224 1.41 . . . . 99.99 107.797 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.51 134.28 55.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.739 0.815 . . . . 71.87 109.916 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' C' ' 61' ' ' ARG . 9.0 t70 -141.31 153.77 45.34 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.243 1.017 . . . . 92.17 109.59 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -126.9 131.58 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.184 0.994 . . . . 62.96 110.075 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' C' ' 59' ' ' VAL . . . -129.1 162.57 27.41 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.176 0.99 . . . . 35.73 108.969 171.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 49.4 p -160.43 174.07 14.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.82 0.448 . . . . 56.22 110.681 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.1 t -160.08 126.82 4.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 43.42 108.549 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.51 117.52 22.58 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.115 -1.069 . . . . 99.99 108.115 173.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -97.24 -34.53 11.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.404 1.081 . . . . 61.44 109.765 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.65 -166.62 0.87 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.051 0.94 . . . . 94.06 110.24 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.72 112.82 5.03 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.847 0.717 . . . . 99.99 109.839 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 67.92 -6.28 0.74 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.803 2.041 . . . . 99.99 113.124 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.31 106.41 17.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 N-CA-C 107.808 -1.182 . . . . 81.86 107.808 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -120.37 128.77 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.164 -1.38 . . . . 99.99 108.461 -177.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -81.58 110.15 16.69 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.611 -1.626 . . . . 35.21 106.611 165.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.56 112.53 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.953 -1.128 . . . . 29.6 107.953 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' C' ' 47' ' ' ALA . 95.6 t -105.83 132.11 53.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.612 -0.884 . . . . 20.9 108.612 176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.69 112.55 16.88 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.49 -1.3 . . . . 69.19 107.49 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' C' ' 45' ' ' ASP . 12.9 ttm180 -87.47 126.8 35.12 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.613 -0.722 . . . . 99.99 109.764 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.36 117.93 56.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 114.528 -1.215 . . . . 14.53 107.784 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' C' ' 43' ' ' ASP . 81.7 m -121.59 129.35 52.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.298 -1.001 . . . . 20.42 108.298 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 52.9 t -113.35 115.36 49.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.901 -0.777 . . . . 17.7 108.901 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 HD23 ' C' ' 75' ' ' LEU . 5.9 m -103.39 144.69 31.05 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.435 -0.58 . . . . 29.53 109.435 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.89 108.86 7.13 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.494 -1.299 . . . . 32.22 107.494 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -145.97 124.13 12.19 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.234 -0.654 . . . . 59.66 109.234 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -92.14 57.33 3.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.916 0.865 . . . . 97.29 110.492 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.44 -114.1 3.86 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 114.743 -1.117 . . . . 76.35 111.266 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.58 -31.4 18.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.469 0.708 . . . . 99.99 109.242 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -76.65 111.12 11.82 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 77.02 110.536 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.0 m -87.54 128.52 35.25 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.022 0.439 . . . . 37.0 110.375 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -57.74 3.61 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.143 -0.935 . . . . 34.06 109.131 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -159.9 176.7 11.59 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.658 0.742 . . . . 39.96 111.748 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.465 HD23 HG23 ' C' ' 65' ' ' THR . 2.6 tm? -146.18 143.03 29.0 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 106.847 -1.538 . . . . 16.54 106.847 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 49.8 t -143.82 143.63 31.42 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.122 -1.066 . . . . 10.97 108.122 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -150.46 126.93 10.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.801 0.44 . . . . 36.61 110.0 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.55 114.99 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.524 0.729 . . . . 9.25 109.366 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.675 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 73.6 mt-30 -88.88 94.02 9.79 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 107.53 -1.285 . . . . 25.23 107.53 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . 0.619 HE22 HG22 ' C' ' 18' ' ' THR . 9.6 tp-100 -84.57 118.57 24.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.308 -0.86 . . . . 10.64 110.048 -175.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.5 163.97 20.94 Favored Glycine 0 C--N 1.338 0.688 0 O-C-N 123.365 0.416 . . . . 10.6 112.733 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.31 134.48 3.1 Favored Glycine 0 C--O 1.237 0.331 0 N-CA-C 110.63 -0.988 . . . . 19.17 110.63 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' D' ' 29' ' ' PRO . 45.1 mm -85.55 120.14 35.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.467 -0.568 . . . . 30.38 109.467 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -135.04 116.44 14.62 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.149 0.98 . . . . 49.62 108.539 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 23.9 m -80.27 96.03 6.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.376 -0.972 . . . . 92.15 108.376 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 tt -151.59 116.18 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 124.443 1.097 . . . . 99.99 110.199 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.54 4.35 2.61 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.691 0.796 . . . . 99.99 109.341 161.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' C' ' 9' ' ' MET . . . -68.81 100.92 0.73 Allowed Glycine 0 C--N 1.355 1.594 0 O-C-N 123.907 0.754 . . . . 99.99 111.698 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mm -75.14 128.03 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.627 0.771 . . . . 99.99 109.238 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.449 ' H ' ' HB2' ' C' ' 94' ' ' MET . 1.0 OUTLIER -150.86 76.45 1.24 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.636 -1.246 . . . . 99.99 107.636 -174.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.761 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 59.27 -143.86 45.76 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 114.295 -1.321 . . . . 99.99 113.429 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 25.7 m -78.63 -17.38 56.1 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.943 0.897 . . . . 99.99 109.663 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.72 -33.3 75.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.735 0.814 . . . . 99.99 111.645 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.449 ' HB2' ' H ' ' C' ' 90' ' ' GLU . 16.0 tmm? -51.6 -52.81 44.49 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.705 0.402 . . . . 99.99 110.45 167.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.84 -30.61 70.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.75 -1.114 . . . . 99.99 112.031 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -74.52 -49.88 20.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.217 0.607 . . . . 99.99 110.657 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . . . . . . . . . 65.0 m -63.29 -43.46 97.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.436 0.694 . . . . 99.99 110.921 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.492 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 3.1 tm? -65.08 -32.61 74.4 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 114.564 -1.198 . . . . 99.99 110.067 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . 0.529 ' HA3' HD22 ' E' ' 280' ' ' LEU . . . -100.61 12.03 59.59 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.185 -0.786 . . . . 68.51 114.122 -176.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' C' ' 134' ' ' ASP . . . -134.36 -63.08 0.73 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.525 0.663 . . . . 56.52 110.586 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.408 ' OH ' ' HG3' ' A' ' 130' ' ' PRO . 87.5 t80 -72.22 -53.56 12.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.513 0.725 . . . . 99.99 110.864 -175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 57.3 m -56.0 -47.62 98.41 Favored Pre-proline 0 CA--C 1.561 1.4 0 N-CA-C 113.278 0.844 . . . . 56.59 113.278 -175.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.52 -34.46 25.9 Favored 'Trans proline' 0 C--N 1.399 3.231 0 C-N-CA 121.932 1.755 . . . . 39.21 112.329 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.02 -34.36 74.71 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.502 0.721 . . . . 71.72 111.461 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 mm -69.92 -43.12 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.323 0.649 . . . . 8.71 111.169 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.17 -10.1 43.0 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.653 0.612 . . . . 37.06 112.653 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -61.61 -48.06 91.1 Favored Pre-proline 0 N--CA 1.485 1.287 0 C-N-CA 124.301 1.04 . . . . 16.74 113.265 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -58.37 -34.54 98.77 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.389 2.059 . . . . 9.85 113.185 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -66.12 -48.64 70.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.53 0.732 . . . . 5.88 110.656 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' C' ' 80' ' ' GLN . . . -65.27 -38.81 91.44 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.81 -0.632 . . . . 7.64 110.744 177.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' C' ' 128' ' ' LEU . 52.0 ttt180 -56.98 -53.01 62.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.02 1.328 . . . . 20.64 111.05 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.714 ' HG3' HH12 ' D' ' 120' ' ' ARG . 15.0 tp10 -67.4 -37.4 83.06 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.834 . . . . 38.86 111.188 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.474 ' SG ' ' HD3' ' D' ' 120' ' ' ARG . 93.3 m -63.47 -34.31 77.48 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.865 0.32 . . . . 13.9 111.865 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -72.94 -54.09 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.295 0.638 . . . . 8.58 110.507 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . . . . . . . . . 19.4 m -67.0 -29.8 69.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.424 0.689 . . . . 8.54 111.778 -172.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . . . . . . . . . 23.7 t -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.973 -0.751 . . . . 6.56 108.973 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.441 ' HE2' HG21 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -60.96 -34.48 74.83 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.722 1.209 . . . . 5.22 112.359 178.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.21 -48.21 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.4 0.68 . . . . 28.53 109.793 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -69.71 -26.01 64.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.56 0.744 . . . . 17.6 111.504 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.411 ' HD2' ' SD ' ' C' ' 117' ' ' MET . 88.2 mtt-85 -74.53 -25.54 59.39 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 7.72 110.933 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.06 16.69 59.0 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.672 -0.515 . . . . 10.8 112.765 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . 0.56 HG23 ' HB3' ' D' ' 17' ' ' TYR . 69.1 p 56.05 31.17 17.57 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.877 1.671 . . . . 15.17 112.235 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . 0.407 ' HE2' ' HZ ' ' C' ' 23' ' ' PHE . 30.8 m-85 -97.31 145.7 30.1 Favored Pre-proline 0 C--O 1.243 0.727 0 N-CA-C 108.731 -0.841 . . . . 24.81 108.731 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' E' ' 301' ' ' ILE . 42.8 Cg_endo -63.63 154.87 66.47 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 122.785 2.323 . . . . 29.42 111.675 -177.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' B' ' 125' ' ' GLN . 70.4 mm-40 -59.76 108.17 0.71 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 123.992 0.807 . . . . 72.03 110.633 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' C' ' 126' ' ' LEU . 2.4 tm? -118.4 89.12 3.06 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 104.276 -2.49 . . . . 59.85 104.276 170.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.461 ' ND2' HG22 ' B' ' 122' ' ' THR . 9.2 t-20 -91.13 119.33 31.17 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.961 -1.018 . . . . 41.85 108.935 -167.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.546 ' HB3' ' HG3' ' C' ' 111' ' ' ARG . 50.1 tp -58.32 107.74 0.53 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.043 0.937 . . . . 38.57 110.34 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.65 153.53 93.4 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.329 1.052 . . . . 24.62 111.888 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.6 109.09 0.35 Allowed 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 123.562 2.841 . . . . 24.48 113.061 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.86 111.07 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.963 -0.754 . . . . 68.05 108.963 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -92.58 93.99 8.81 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.822 0.849 . . . . 99.99 109.11 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.41 -33.82 76.86 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.433 0.693 . . . . 99.99 111.596 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . 0.529 ' HB3' ' HB1' ' C' ' 100' ' ' ALA . 10.8 p-10 -59.54 -32.4 70.3 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.287 1.035 . . . . 99.99 111.491 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.34 36.25 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.284 0.99 . . . . 99.99 110.998 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.15 -38.5 65.58 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.515 1.126 . . . . 99.99 112.828 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -61.74 -53.18 59.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.498 0.719 . . . . 99.99 111.768 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -40.45 36.16 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.349 0.66 . . . . 99.99 110.69 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . 0.649 HD21 ' HB2' ' E' ' 265' ' ' LEU . 4.6 t30 -54.56 -37.32 65.32 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.271 1.428 . . . . 99.99 111.435 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -47.17 -83.01 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.266 0 O-C-N 124.256 0.972 . . . . 99.99 109.847 167.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 64.8 tp 62.28 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.3 1.04 . . . . 99.99 111.1 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -147.16 23.58 1.18 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.598 0.759 . . . . 99.99 109.614 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . 0.44 HE21 ' HB2' ' C' ' 145' ' ' ALA . 57.4 tp60 -127.12 119.75 27.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.413 0.685 . . . . 99.99 110.001 -176.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . 0.623 ' HA ' HD22 ' E' ' 266' ' ' ASN . 83.7 mm-40 -87.93 -53.67 4.63 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.016 0.926 . . . . 99.99 110.071 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.44 ' HB2' HE21 ' C' ' 143' ' ' GLN . . . 61.32 -170.38 0.16 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.358 1.063 . . . . 99.99 111.772 -174.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.77 -77.9 1.57 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.503 -0.639 . . . . 99.99 111.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 70.04 159.44 0.19 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.336 1.454 . . . . 99.99 112.917 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.63 134.08 12.75 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-N 114.981 -1.008 . . . . 99.99 112.246 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 39.9 p -110.28 140.28 44.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.547 1.139 . . . . 99.99 108.09 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -77.28 -67.68 0.69 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.979 -0.748 . . . . 99.99 108.979 -176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 49.85 89.51 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.62 1.168 . . . . 99.99 111.932 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.71 -15.93 62.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.387 0.675 . . . . 99.99 111.978 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 65.11 106.64 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.993 1.317 . . . . 99.99 111.292 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.94 -30.81 62.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 99.99 111.701 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.716 -0.846 . . . . 99.99 108.716 178.839 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.551 0.215 . . . . 99.99 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 48.82 -82.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 126.523 1.929 . . . . 99.99 115.398 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.65 -77.2 0.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.039 0.936 . . . . 99.99 110.534 -169.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.52 -21.22 42.06 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.145 0.978 . . . . 99.99 110.985 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 63.6 t30 71.28 -65.92 0.32 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.643 1.577 . . . . 99.99 110.322 -164.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 77.92 -48.24 0.48 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.532 1.533 . . . . 99.99 112.027 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -68.35 87.84 0.31 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 122.204 1.002 . . . . 99.99 110.987 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -176.55 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.593 1.557 . . . . 99.99 107.774 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -31.2 130.82 0.11 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.269 1.827 . . . . 99.99 113.561 172.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 44.2 p -110.05 132.16 54.41 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.95 132.05 9.99 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.297 -1.372 . . . . 76.43 107.297 171.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.57 158.09 23.16 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 108.102 -1.073 . . . . 99.99 108.102 170.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.542 HG21 HG23 ' D' ' 16' ' ' ILE . 3.4 mp -67.09 117.74 8.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.573 -0.899 . . . . 41.34 108.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -89.11 -24.86 22.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.298 -0.865 . . . . 79.46 110.368 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -172.76 129.43 0.51 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.874 0.47 . . . . 99.99 110.308 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . 0.542 HG23 HG21 ' D' ' 13' ' ' ILE . 7.7 pt -114.27 123.09 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 C-N-CA 123.793 0.837 . . . . 53.22 108.812 171.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.56 ' HB3' HG23 ' C' ' 122' ' ' THR . 3.9 p90 -160.42 148.44 16.43 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.798 0.808 . . . . 19.87 111.143 -174.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -87.88 126.96 35.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.278 -1.328 . . . . 8.43 109.624 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 46.9 mtpt -93.56 -29.91 15.26 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.779 0.323 . . . . 36.9 110.581 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 17.5 t70 -149.33 114.01 5.34 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 115.247 -0.888 . . . . 36.68 109.4 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.441 HG21 ' HE2' ' C' ' 117' ' ' MET . 35.0 mt -111.74 145.61 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.104 -1.073 . . . . 4.02 108.104 172.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.7 t -149.38 139.9 22.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.658 0.742 . . . . 7.64 109.901 175.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' C' ' 20' ' ' ASP . 87.9 t80 -144.61 134.62 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.692 -1.966 . . . . 5.08 105.692 167.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 75' ' ' LEU . 48.9 mt-10 -135.78 144.5 45.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.036 0.934 . . . . 28.73 108.489 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.31 79.32 25.86 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 106.565 -1.642 . . . . 7.19 106.565 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.05 -29.54 65.96 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.8 2.333 . . . . 13.41 112.076 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' D' ' 30' ' ' HIS . 54.4 m-20 -113.29 17.54 18.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.497 1.119 . . . . 11.97 109.903 -175.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' HE3' ' C' ' 19' ' ' LYS . . . -31.64 -63.14 0.25 Allowed Pre-proline 0 CA--C 1.572 1.82 0 N-CA-C 115.918 1.821 . . . . 12.01 115.918 -170.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' C' ' 83' ' ' ILE . 90.5 Cg_endo -75.72 -23.85 12.27 Favored 'Trans proline' 0 C--N 1.39 2.748 0 CA-C-N 122.437 1.906 . . . . 20.55 113.167 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' D' ' 27' ' ' ASN . 15.9 t-160 -69.86 -30.98 68.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.206 1.402 . . . . 22.26 109.739 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' D' ' 123' ' ' PHE . 73.5 t -79.49 -31.74 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 115.594 -0.73 . . . . 34.6 112.091 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -68.81 -12.38 61.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 112.585 0.587 . . . . 32.96 112.585 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.77 -30.6 70.86 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.852 0.861 . . . . 99.99 110.649 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . 0.638 ' HZ1' ' HB3' ' D' ' 71' ' ' GLU . 88.6 mttt -93.55 110.4 21.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.326 1.05 . . . . 31.63 110.412 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -111.46 87.38 2.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.099 0.559 . . . . 99.99 109.967 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -158.33 178.53 10.07 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.605 0.762 . . . . 49.29 109.743 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -67.46 111.77 8.34 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 123.67 0.788 . . . . 99.99 110.484 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.71 141.96 51.36 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.599 2.199 . . . . 31.29 112.781 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 9.6 tp10 -66.09 128.93 38.03 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.705 -0.85 . . . . 99.99 108.705 166.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 64' ' ' VAL . 96.3 t -126.73 123.18 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 109.209 -0.663 . . . . 52.79 109.209 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.08 27.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.053 0.941 . . . . 99.99 109.953 -177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.51 HD21 HD22 ' D' ' 128' ' ' LEU . 6.0 mp -97.49 138.21 35.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.492 0.717 . . . . 74.77 110.066 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' D' ' 63' ' ' THR . 10.5 m-20 -107.39 120.45 42.19 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.511 -1.292 . . . . 99.99 107.511 167.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.21 127.21 41.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.544 -0.91 . . . . 66.01 108.544 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -163.18 156.3 19.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.781 0.832 . . . . 79.72 109.096 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -129.0 170.91 12.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.736 0.815 . . . . 77.52 109.67 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' D' ' 59' ' ' VAL . . . -147.99 141.16 25.05 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.811 -1.181 . . . . 38.8 107.811 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 32.5 p -146.24 150.61 36.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.895 0.478 . . . . 48.36 110.467 -171.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 34.1 p -170.71 126.13 0.72 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.01 0.924 . . . . 52.73 109.796 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.63 117.53 22.07 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.267 -1.012 . . . . 99.71 108.267 172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' C' ' 29' ' ' PRO . 2.3 pp -128.55 10.07 6.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.318 1.047 . . . . 82.32 109.477 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.69 141.7 15.95 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.398 -1.274 . . . . 96.95 108.784 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.06 133.85 35.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.014 -0.735 . . . . 99.99 109.014 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 67.0 6.04 4.46 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 124.667 1.187 . . . . 99.99 112.31 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -140.17 136.13 37.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 106.155 -1.795 . . . . 82.8 106.155 -176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -134.69 145.07 48.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 -174.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' C' ' 29' ' ' PRO . 26.5 tt0 -100.88 116.88 33.78 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 108.723 -0.843 . . . . 55.89 108.723 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -101.42 133.23 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 107.865 -1.161 . . . . 44.56 107.865 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' D' ' 47' ' ' ALA . 58.2 t -123.29 136.06 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 107.877 -1.157 . . . . 19.48 107.877 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 tp -112.59 115.91 29.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.627 0.371 . . . . 52.2 110.145 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' D' ' 79' ' ' GLN . 4.2 tpm_? -87.55 103.03 15.16 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.369 1.068 . . . . 99.99 109.369 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.03 132.81 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.586 -0.894 . . . . 9.25 108.586 169.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 43' ' ' ASP . 25.4 m -116.57 146.82 42.38 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.583 0.552 . . . . 10.79 109.687 172.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.587 HG13 HG13 ' D' ' 40' ' ' VAL . 79.8 t -128.81 118.34 46.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.915 1.286 . . . . 9.72 108.244 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -114.76 92.81 4.07 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.412 -1.329 . . . . 19.36 107.412 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -99.46 143.58 29.54 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.707 -0.678 . . . . 11.33 110.334 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.524 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 68.0 m -151.51 128.65 11.15 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.67 0.788 . . . . 29.87 111.415 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.44 HD12 HG13 ' D' ' 31' ' ' VAL . 20.9 mt -96.44 106.38 18.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.351 1.061 . . . . 24.97 108.867 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.26 -132.41 14.85 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 123.67 0.607 . . . . 27.84 112.673 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 4.24 38.96 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.911 0.885 . . . . 76.3 111.966 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . 0.638 ' HB3' ' HZ1' ' D' ' 34' ' ' LYS . 5.3 tp10 -135.02 146.17 48.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.557 0.743 . . . . 81.89 110.557 -168.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 30.7 m -60.79 133.86 56.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.701 1.2 . . . . 11.35 111.345 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.524 ' H ' ' HA ' ' D' ' 67' ' ' SER . . . -85.33 -66.93 0.84 Allowed 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.577 -1.268 . . . . 10.67 107.577 173.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.33 158.35 41.43 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 115.797 -0.638 . . . . 7.73 110.762 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' D' ' 24' ' ' GLU . 50.1 mt -119.51 108.77 14.93 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.762 -1.199 . . . . 11.05 107.762 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' D' ' 114' ' ' ILE . 48.5 t -121.73 137.29 54.82 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.074 -0.713 . . . . 12.97 109.074 -176.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' D' ' 61' ' ' ARG . 41.9 tt0 -156.27 133.99 11.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.055 0.389 . . . . 47.96 110.906 -172.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 84.2 t -134.13 146.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.807 0.843 . . . . 5.05 110.595 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' D' ' 61' ' ' ARG . 16.8 mt-30 -120.35 91.65 3.59 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 125.517 1.527 . . . . 21.68 107.711 169.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -84.88 106.2 16.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.028 -0.987 . . . . 8.01 108.354 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.58 152.11 19.68 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 111.428 -0.669 . . . . 11.29 111.428 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.75 140.11 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.546 -0.622 . . . . 22.6 111.546 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.433 HG13 ' HE1' ' D' ' 17' ' ' TYR . 68.4 mt -91.88 119.79 39.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 108.191 -1.04 . . . . 43.57 108.191 172.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -128.16 129.0 45.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.384 1.074 . . . . 45.01 108.282 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . . . . . . . . . 57.0 p -98.49 103.99 15.99 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.031 0.832 . . . . 77.58 111.05 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.636 HG22 HD13 ' E' ' 97' ' ' ILE . 1.8 mp -107.57 119.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 108.813 -0.81 . . . . 88.57 108.813 -167.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.15 165.71 31.13 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.447 0.699 . . . . 99.99 110.977 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.13 6.33 60.24 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 115.448 -0.796 . . . . 99.99 113.015 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.793 HD13 ' HB2' ' D' ' 94' ' ' MET . 0.6 OUTLIER -142.38 172.53 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.9 1.28 . . . . 99.99 112.41 -171.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -140.39 163.28 33.23 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.405 1.082 . . . . 99.99 111.336 -168.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.73 -141.86 30.15 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 114.77 0.668 . . . . 99.99 114.77 164.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 18.3 m -91.46 -29.26 17.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.171 0.588 . . . . 99.99 111.044 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.28 -24.91 65.83 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.119 0.968 . . . . 99.99 111.439 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.793 ' HB2' HD13 ' D' ' 89' ' ' ILE . 25.4 ptt? -63.52 -40.38 96.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.446 0.698 . . . . 99.99 111.517 175.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' E' ' 102' ' ' LEU . . . -84.89 -12.07 54.23 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.401 1.081 . . . . 88.9 111.718 -175.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.81 -39.46 77.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.746 0.818 . . . . 99.99 111.176 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 31.7 p -60.11 -33.64 72.4 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.09 0.556 . . . . 95.17 111.215 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . 0.51 ' HA ' ' SG ' ' D' ' 102' ' ' CYS . 50.9 mt -70.81 -39.47 73.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.079 0.952 . . . . 99.99 111.467 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.34 -5.82 86.74 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 116.326 -0.397 . . . . 66.02 113.327 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -124.84 -75.89 0.59 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.372 0.669 . . . . 54.11 111.615 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -72.85 -33.51 66.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.17 0.588 . . . . 40.76 112.468 -170.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' D' ' 98' ' ' LEU . 73.5 m -66.75 -47.75 54.63 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 118.351 -0.833 . . . . 34.31 113.246 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.72 -20.99 39.44 Favored 'Trans proline' 0 C--N 1.396 3.074 0 C-N-CA 121.771 1.647 . . . . 28.69 112.183 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . 0.583 HD21 ' HB2' ' D' ' 133' ' ' PHE . 0.8 OUTLIER -70.15 -30.69 67.91 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.383 0.673 . . . . 61.29 110.85 174.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . . . . . . . . . 32.5 mm -71.28 -41.97 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.598 0.759 . . . . 19.65 109.919 171.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.98 -23.79 55.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.332 -0.849 . . . . 13.09 112.115 -174.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.89 -42.62 54.28 Favored Pre-proline 0 N--CA 1.484 1.248 0 CA-C-O 118.156 -0.926 . . . . 10.47 113.357 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.05 -35.44 32.56 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.214 1.943 . . . . 6.22 113.868 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . 0.405 ' HE2' ' HD3' ' B' ' 111' ' ' ARG . 98.0 m-85 -90.01 -25.96 20.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.672 0.789 . . . . 10.48 111.92 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.53 58.74 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.284 -0.635 . . . . 4.16 109.284 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.692 HH12 ' HB3' ' D' ' 130' ' ' PRO . 33.7 ttp180 -56.64 -49.58 74.58 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.537 -1.21 . . . . 10.22 110.538 172.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -50.87 65.04 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.632 1.208 . . . . 32.24 111.118 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.48 -41.16 84.62 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.187 0.93 . . . . 3.39 110.775 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' D' ' 76' ' ' CYS . 98.3 mt -61.92 -54.13 38.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 123.719 0.808 . . . . 5.37 110.253 173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 35.2 m -53.14 -41.98 65.62 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.711 1.204 . . . . 7.06 111.315 -171.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 33.2 t -68.66 -43.88 75.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.74 -1.118 . . . . 6.71 110.959 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.423 ' HB2' ' HE3' ' D' ' 117' ' ' MET . 70.8 mtm -70.44 -34.81 72.9 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.922 0.489 . . . . 5.08 112.001 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 114' ' ' ILE . 75.4 t -65.45 -42.74 94.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 124.373 1.069 . . . . 5.65 110.309 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 119' ' ' SER . 89.3 p -70.98 -30.42 66.68 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.494 -0.776 . . . . 10.21 110.969 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.714 HH12 ' HG3' ' C' ' 112' ' ' GLU . 60.3 mtt-85 -71.31 -31.86 67.93 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.812 0.845 . . . . 6.99 111.218 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.97 1.34 79.85 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.268 -0.74 . . . . 7.43 113.75 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . . . . . . . . . 4.2 m 69.24 49.53 0.6 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.022 1.329 . . . . 18.26 110.375 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . 0.553 ' HE1' HG11 ' D' ' 31' ' ' VAL . 98.2 m-85 -122.61 162.5 38.06 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 114.62 -1.173 . . . . 10.7 109.613 172.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.92 152.38 80.48 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.083 1.856 . . . . 20.06 110.276 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.1 147.62 34.25 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.063 -0.347 . . . . 16.85 110.063 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 30.7 tp -126.69 94.87 4.17 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.591 0.71 . . . . 14.84 109.962 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . 0.438 ' ND2' ' HB ' ' B' ' 16' ' ' ILE . 3.8 m-20 -102.26 89.13 3.48 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.55 -1.204 . . . . 76.73 108.609 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.51 HD22 HD21 ' D' ' 42' ' ' LEU . 46.2 mt -59.16 134.3 56.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.2 1.0 . . . . 20.32 111.368 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.91 119.63 56.62 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.863 0.465 . . . . 28.37 111.294 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.692 ' HB3' HH12 ' D' ' 111' ' ' ARG . 88.0 Cg_endo -82.82 129.86 5.64 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.908 2.405 . . . . 32.68 112.155 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.78 151.64 15.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 108.785 -0.82 . . . . 69.78 108.785 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -68.37 98.73 0.86 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.819 0.819 . . . . 99.99 110.459 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' D' ' 104' ' ' ASN . 82.1 m-85 -63.9 -11.41 27.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.194 -0.912 . . . . 99.99 111.756 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -49.21 -61.99 1.78 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.684 1.194 . . . . 99.99 110.826 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.45 68.85 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 114.873 -1.058 . . . . 99.99 111.833 -171.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.48 -44.0 95.66 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.388 0.675 . . . . 99.99 110.878 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.93 -35.75 64.63 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.816 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' D' ' 138' ' ' MET . 34.6 ttm -57.87 -36.67 72.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.022 1.329 . . . . 99.99 111.381 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -73.66 -53.7 9.82 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.388 -0.824 . . . . 99.99 110.247 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.27 -34.5 76.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 112.709 0.633 . . . . 99.99 112.709 -168.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.21 -55.74 25.56 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.101 0.96 . . . . 99.99 111.608 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -82.66 2.47 33.36 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.056 0.542 . . . . 99.99 111.876 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -120.93 49.3 1.49 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 108.392 -0.966 . . . . 99.99 108.392 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -143.68 15.38 1.78 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.977 -1.465 . . . . 99.99 109.391 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . -106.63 151.87 24.5 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.82 -1.082 . . . . 99.99 109.839 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.72 25.06 Favored Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.268 -0.423 . . . . 99.99 112.503 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 63.13 -78.32 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.537 1.535 . . . . 99.99 111.018 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.91 23.71 0.07 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.995 -0.442 . . . . 99.99 111.995 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 35.4 p -67.73 -35.55 78.95 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.597 0.759 . . . . 99.99 110.725 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' D' ' 154' ' ' ASP . 0.3 OUTLIER 65.61 96.91 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.063 1.345 . . . . 99.99 110.091 176.168 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -74.08 -18.02 60.87 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.946 -1.025 . . . . 99.99 113.121 -167.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -91.66 -22.1 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.066 0.546 . . . . 99.99 112.076 -170.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -153.95 -43.69 0.09 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.224 0.609 . . . . 99.99 110.697 -168.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' D' ' 150' ' ' GLU . 27.3 t70 75.47 120.51 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.287 1.435 . . . . 99.99 109.627 -169.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 123.864 0.866 . . . . 99.99 111.144 -171.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' E' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.872 -0.788 . . . . 99.99 108.872 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -117.27 9.69 13.52 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.825 0.85 . . . . 99.99 110.836 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -128.57 -49.94 1.27 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.712 1.205 . . . . 99.99 108.739 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . 0.531 ' HB3' ' HB3' ' E' ' 308' ' ' CYS . 15.3 m -69.57 101.15 1.56 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.984 -1.007 . . . . 99.99 109.969 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 52.9 m -115.99 129.41 56.37 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.919 0.888 . . . . 99.99 109.922 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.576 HD11 HG13 ' B' ' 64' ' ' VAL . 2.6 tt -62.91 86.85 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.114 0.959 . . . . 99.99 110.347 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' HG ' ' B' ' 128' ' ' LEU . . . 175.16 -34.79 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.857 2.063 . . . . 99.99 108.964 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.7 OUTLIER -154.88 124.49 6.5 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.036 0.934 . . . . 99.99 110.64 -170.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.52 79.57 1.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.427 0.691 . . . . 99.99 110.333 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 59.6 98.47 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.019 1.328 . . . . 99.99 111.382 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.448 ' H ' ' HE2' ' B' ' 137' ' ' PHE . 7.8 mp -64.42 143.67 98.52 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.59 1.156 . . . . 99.99 112.024 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.52 3.5 7.76 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.899 2.4 . . . . 99.99 113.503 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 74.5 mt 65.55 92.36 0.07 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.413 1.485 . . . . 99.99 110.591 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.46 -3.04 4.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.054 0.942 . . . . 99.99 112.033 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -76.93 101.35 5.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.172 0.589 . . . . 99.99 110.33 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . 0.42 HG23 ' HB3' ' E' ' 24' ' ' PRO . 6.7 p -72.68 151.62 91.32 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.158 0.983 . . . . 99.99 110.203 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -35.96 138.75 0.16 Allowed 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 124.806 3.671 . . . . 99.99 114.266 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.814 HG11 ' HB ' ' B' ' 86' ' ' ILE . 1.3 t -56.75 -27.23 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 124.263 0.977 . . . . 99.99 111.932 -169.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 47.3 p -60.34 77.72 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.542 1.537 . . . . 99.99 111.309 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' E' ' 20' ' ' LYS . 5.6 ttpm? 56.47 77.33 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.619 1.168 . . . . 99.99 110.247 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 146.46 41.77 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.772 -0.649 . . . . 99.99 111.019 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -153.34 178.67 9.52 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.118 0.967 . . . . 99.99 109.414 -171.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -53.05 116.96 10.23 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.544 1.137 . . . . 99.99 111.866 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . 0.42 ' HB3' HG23 ' E' ' 16' ' ' THR . 90.1 Cg_endo -76.75 169.19 22.21 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.577 2.851 . . . . 99.99 114.052 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.07 160.03 16.03 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 115.449 -0.796 . . . . 99.99 109.366 166.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 61.4 mtm -56.73 99.92 0.2 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 124.25 1.02 . . . . 99.99 111.542 -176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.18 95.09 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 123.031 2.487 . . . . 99.99 112.481 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.19 -59.98 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.665 -0.698 . . . . 99.99 111.115 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp 51.92 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.854 1.262 . . . . 99.99 109.896 -166.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -156.01 -51.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.76 0.824 . . . . 99.99 109.498 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' E' ' 34' ' ' ALA . 57.8 t30 -132.03 51.43 2.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.204 -0.907 . . . . 99.99 108.992 -171.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 61.36 -83.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.683 1.593 . . . . 99.99 111.46 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.96 21.12 5.16 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.572 1.149 . . . . 99.99 110.674 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' E' ' 31' ' ' ASN . . . 70.75 -72.24 0.12 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.262 1.425 . . . . 99.99 111.153 -174.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.61 43.39 7.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.498 0.719 . . . . 99.99 109.263 -170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.03 51.87 4.65 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 115.308 -0.86 . . . . 99.99 111.797 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -100.03 160.74 14.08 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 124.878 1.271 . . . . 99.99 109.43 -177.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.69 143.38 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.651 -0.87 . . . . 99.99 108.651 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 16.8 m -83.96 64.84 8.35 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.81 0.814 . . . . 99.99 111.074 -175.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . 0.506 ' N ' ' HD3' ' E' ' 41' ' ' PRO . . . -171.59 41.32 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.481 0 C-N-CA 125.823 1.649 . . . . 99.99 110.241 171.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' E' ' 40' ' ' ALA . 6.2 Cg_exo -75.19 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.403 2.069 . . . . 99.99 111.504 -169.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.68 59.27 4.6 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 110.573 -1.011 . . . . 99.99 110.573 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.19 -35.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.288 -1.125 . . . . 99.99 110.288 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.0 40.33 31.99 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.136 0.975 . . . . 99.99 110.889 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 71.98 -66.48 0.3 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.246 1.418 . . . . 99.99 109.522 -168.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -155.46 94.22 1.57 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.691 1.197 . . . . 99.99 108.59 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.4 ' O ' HG21 ' E' ' 52' ' ' THR . 2.9 pp -80.73 -10.27 59.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.739 0.415 . . . . 99.99 111.593 178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 88.07 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.795 1.238 . . . . 99.99 111.844 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -125.99 35.63 2.94 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.655 -1.157 . . . . 99.99 112.145 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 28.7 t70 64.29 -78.46 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.063 1.345 . . . . 99.99 113.498 168.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.24 -11.35 59.41 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.836 0.854 . . . . 99.99 111.718 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . 0.4 HG21 ' O ' ' E' ' 47' ' ' LEU . 14.7 t -45.28 -31.95 1.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.239 1.57 . . . . 99.99 115.239 -173.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.12 -18.14 59.92 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.559 0.744 . . . . 99.99 112.579 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.36 73.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.075 0.95 . . . . 99.99 111.223 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.421 ' HB2' ' OG ' ' E' ' 58' ' ' SER . 86.7 mt 55.65 33.76 21.91 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.45 1.1 . . . . 99.99 111.693 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 70.79 -81.53 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.637 1.575 . . . . 99.99 111.293 -175.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -100.17 -77.12 0.54 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 119.28 -0.391 . . . . 99.99 110.489 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' E' ' 55' ' ' LEU . 25.0 m 62.68 86.84 0.11 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.487 1.115 . . . . 99.99 111.26 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.93 171.88 7.17 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.817 -1.083 . . . . 99.99 109.665 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -82.51 -8.56 59.61 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.624 170.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 73.54 -84.61 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.624 1.569 . . . . 99.99 110.305 171.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.2 89.06 1.83 Allowed Pre-proline 0 N--CA 1.479 0.978 0 N-CA-C 108.923 -0.769 . . . . 99.99 108.923 165.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -91.25 -14.15 1.8 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.811 2.341 . . . . 99.99 113.659 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.504 ' HA ' HG13 ' E' ' 71' ' ' ILE . . . -74.33 69.86 1.64 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.223 1.009 . . . . 99.99 113.06 -164.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . 0.622 ' HZ2' ' HB2' ' E' ' 65' ' ' LYS . 5.1 mtmp? -159.25 -166.53 1.84 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.509 1.524 . . . . 99.99 109.308 -171.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 74.34 -71.83 0.12 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 125.172 1.389 . . . . 99.99 111.79 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . 0.437 HG23 ' H ' ' E' ' 69' ' ' LEU . 15.7 tt -128.72 -24.87 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 124.244 1.018 . . . . 99.99 109.553 176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt 61.73 40.98 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 125.183 1.393 . . . . 99.99 110.282 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.437 ' H ' HG23 ' E' ' 67' ' ' ILE . 6.0 tt -89.12 -80.46 0.3 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.916 -1.038 . . . . 99.99 108.605 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -113.41 100.18 8.34 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 0.504 HG13 ' HA ' ' E' ' 64' ' ' ALA . 0.2 OUTLIER -139.08 -179.92 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.888 1.275 . . . . 99.99 108.715 172.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.38 151.64 11.19 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 111.792 -0.523 . . . . 99.99 111.792 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -164.31 115.6 1.28 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.816 -1.179 . . . . 99.99 107.816 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.9 -164.07 26.88 Favored Glycine 0 C--N 1.339 0.695 0 O-C-N 123.61 0.569 . . . . 99.99 112.343 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 23.5 ptp -154.63 148.84 25.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.518 0.727 . . . . 99.99 110.304 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.17 146.86 36.89 Favored Glycine 0 C--N 1.347 1.192 0 N-CA-C 110.647 -0.981 . . . . 99.99 110.647 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -159.21 162.11 36.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.166 0.586 . . . . 99.99 110.802 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -74.71 -17.07 60.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.925 0.89 . . . . 99.99 112.153 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.45 -20.97 65.06 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.984 0.914 . . . . 99.99 112.123 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 89.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.855 0.862 . . . . 99.99 110.283 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -131.71 -57.29 0.99 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.825 0.85 . . . . 99.99 111.066 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.59 -169.44 0.2 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 124.68 1.192 . . . . 99.99 111.848 -173.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.88 17.85 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.853 0.861 . . . . 99.99 109.099 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -63.76 130.04 42.59 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.067 0.854 . . . . 99.99 110.365 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . 0.441 ' H ' ' HB2' ' E' ' 99' ' ' ALA . 9.5 t-20 -143.88 -175.29 4.53 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 107.211 -1.403 . . . . 99.99 107.211 -176.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -78.72 147.17 33.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.737 0.815 . . . . 99.99 112.149 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.95 107.48 6.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.802 1.241 . . . . 99.99 108.564 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.45 -66.66 0.8 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.654 0.782 . . . . 99.99 110.522 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.6 69.95 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 111.597 -0.601 . . . . 99.99 111.597 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.21 117.4 10.79 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.783 0.833 . . . . 99.99 111.666 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.54 146.21 18.07 Favored Glycine 0 C--N 1.349 1.284 0 C-N-CA 123.583 0.611 . . . . 99.99 112.115 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.47 79.13 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 112.197 -0.361 . . . . 99.99 112.197 -174.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -136.52 160.78 37.74 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.055 1.342 . . . . 99.99 108.528 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.67 135.31 35.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.887 -0.412 . . . . 99.99 109.887 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -108.04 134.18 51.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.507 1.123 . . . . 99.99 109.363 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.49 56.52 0.03 OUTLIER Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.4 0.524 . . . . 99.99 113.153 171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.636 HD13 HG22 ' D' ' 86' ' ' ILE . 10.7 tp -107.33 -39.19 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.053 0.541 . . . . 99.99 111.414 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.02 82.16 0.11 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.735 1.214 . . . . 99.99 110.412 -163.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . 0.441 ' HB2' ' H ' ' E' ' 85' ' ' ASN . . . 66.13 154.35 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.504 1.122 . . . . 99.99 111.816 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.401 ' HB2' HG12 ' E' ' 97' ' ' ILE . 14.5 tp -156.44 64.06 3.48 Favored Pre-proline 0 N--CA 1.486 1.331 0 O-C-N 121.337 -0.852 . . . . 99.99 111.421 -178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -73.84 -39.38 1.84 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.375 2.05 . . . . 99.99 113.13 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' D' ' 95' ' ' ALA . 2.5 tt 58.15 85.12 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.978 1.311 . . . . 99.99 109.846 -174.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 70.3 p 54.73 -82.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 126.003 1.721 . . . . 99.99 113.461 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.79 166.5 11.49 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.422 -0.671 . . . . 99.99 111.422 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 64.03 24.88 13.68 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.222 1.009 . . . . 99.99 111.424 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' D' ' 47' ' ' ALA . 92.1 m-85 63.91 13.01 7.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.919 1.288 . . . . 99.99 112.324 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m 66.35 -73.0 0.08 Allowed 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 125.563 1.545 . . . . 99.99 111.163 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . . . . . . . . . 63.6 t60 61.04 93.34 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.274 1.429 . . . . 99.99 113.198 171.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -145.55 167.28 23.41 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.004 0.922 . . . . 99.99 110.447 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.29 105.84 18.04 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.96 0.904 . . . . 99.99 110.055 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.53 -10.32 57.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.657 0.783 . . . . 99.99 111.453 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -72.55 -27.89 62.49 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -167.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.9 82.51 1.67 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.09 0.405 . . . . 99.99 112.058 -172.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -173.67 113.01 0.2 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.315 1.046 . . . . 99.99 108.188 163.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . . . . . . . . . 10.7 t -159.94 136.16 8.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.905 0.383 . . . . 99.99 111.231 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.46 -11.64 50.76 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.126 -0.79 . . . . 99.99 111.126 166.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.53 163.31 62.08 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.679 1.191 . . . . 99.99 110.26 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.79 -178.46 0.1 Allowed 'Trans proline' 0 C--N 1.39 2.756 0 C-N-CA 123.176 2.584 . . . . 99.99 113.767 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . 0.403 ' HB3' ' HB ' ' E' ' 122' ' ' THR . 7.7 m-20 -72.66 99.46 2.57 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.941 -0.572 . . . . 99.99 110.947 -177.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -75.13 -62.74 1.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.752 1.221 . . . . 99.99 111.148 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.32 38.56 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-O 122.565 1.174 . . . . 99.99 109.91 -172.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' E' ' 119' ' ' ASP . 98.4 m -144.1 96.93 2.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.67 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -167.39 -79.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.166 0.986 . . . . 99.99 108.377 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . . . . . . . . . 45.3 m -153.78 122.6 6.37 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.08 0.952 . . . . 99.99 108.997 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -165.3 98.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.691 0.396 . . . . 99.99 111.475 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . 71.43 143.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.703 1.601 . . . . 96.83 113.893 167.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.2 t -170.26 139.55 1.76 Allowed 'General case' 0 C--O 1.24 0.602 0 C-N-CA 124.223 1.009 . . . . 99.99 108.521 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -157.67 134.38 9.88 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.536 0.734 . . . . 74.48 110.157 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 14.7 t -158.04 170.87 21.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.096 0.958 . . . . 99.99 109.669 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.62 85.74 0.14 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.637 1.175 . . . . 99.99 110.704 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . . . . . . . . . 20.7 p90 -137.35 -2.59 2.0 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.769 0.828 . . . . 99.99 111.517 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 16.3 t -77.22 87.49 3.66 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.08 0.467 . . . . 99.99 111.005 -173.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -74.9 141.57 44.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.635 0.774 . . . . 99.99 109.133 169.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.92 -68.23 1.76 Allowed Glycine 0 C--N 1.347 1.19 0 O-C-N 123.854 0.721 . . . . 89.58 113.187 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 40.4 t 57.41 82.63 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 124.706 1.203 . . . . 99.99 110.157 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -133.6 40.05 3.15 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.832 0.853 . . . . 99.99 110.501 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 22.2 p -122.86 146.35 47.64 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.123 0.969 . . . . 99.99 110.155 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -114.35 -44.81 3.07 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.893 -0.78 . . . . 99.99 108.893 170.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 7.1 t30 62.35 -78.48 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.892 1.277 . . . . 99.99 110.944 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.52 -168.09 12.87 Favored Glycine 0 C--N 1.352 1.466 0 C-N-CA 123.014 0.34 . . . . 99.99 113.085 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . . . . . . . . . . . -147.05 154.53 41.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.911 0.884 . . . . 99.99 110.353 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.58 93.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.644 1.177 . . . . 99.99 111.348 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.93 -152.63 6.67 Favored Glycine 0 C--N 1.359 1.859 0 C-N-CA 121.329 -0.462 . . . . 99.99 114.179 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.97 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 C-N-CA 125.126 1.37 . . . . 99.99 109.377 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.94 144.77 25.16 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.331 0.653 . . . . 99.99 110.54 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 16.3 tt -160.64 98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.31 0 C-N-CA 124.389 1.076 . . . . 99.99 109.873 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -140.9 164.93 28.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.229 0.612 . . . . 99.99 109.769 175.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 90.31 -7.67 0.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 126.12 1.768 . . . . 99.99 112.621 170.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -74.45 111.76 9.95 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.631 -1.248 . . . . 99.99 107.631 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.07 151.24 47.44 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.839 0.856 . . . . 99.99 109.063 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . . . . . . . . . 55.9 m80 69.26 137.08 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.64 0 C-N-CA 125.307 1.443 . . . . 99.99 111.426 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.84 67.05 3.16 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.242 2.628 . . . . 99.99 113.526 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 16.7 m 51.2 85.32 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.907 1.683 . . . . 99.99 112.26 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . . . . . . . . . 14.5 tt -86.58 1.9 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 CA-C-N 114.915 -1.039 . . . . 99.99 111.862 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -48.0 -35.72 11.44 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.65 1.58 . . . . 99.99 113.527 -172.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -39.5 82.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.483 0.713 . . . . 99.99 111.262 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . . . . . . . . . 26.6 mmt 62.76 -76.89 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.555 1.542 . . . . 99.99 112.386 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . . . . . . . . . . . -75.41 125.98 30.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.906 0.882 . . . . 99.99 111.264 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -73.47 -42.25 62.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.271 1.028 . . . . 99.99 111.036 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.09 -11.16 58.92 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.384 1.074 . . . . 99.99 111.873 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 82.85 128.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.942 1.697 . . . . 99.99 110.574 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -73.75 80.58 0.79 Allowed Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.677 -0.692 . . . . 99.99 113.218 -172.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 71.0 mt -129.95 -50.71 1.13 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.421 1.089 . . . . 99.99 109.06 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.42 177.45 0.16 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.918 1.287 . . . . 99.99 112.345 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 43.4 p -82.86 90.18 6.91 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.133 0.492 . . . . 99.99 109.921 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . -82.57 168.56 48.01 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.403 -0.679 . . . . 99.99 111.403 171.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 23.2 m120 60.53 30.37 19.7 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.897 0.879 . . . . 99.99 112.157 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.72 14.67 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 123.49 0.716 . . . . 99.99 111.807 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.8 m -70.22 -77.33 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 12.6 p -140.73 112.06 7.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.597 0.759 . . . . 99.99 109.82 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.17 -18.34 53.26 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.28 0.562 . . . . 99.99 109.798 169.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.03 118.99 19.47 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 106.8 -1.555 . . . . 99.99 106.8 174.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 54.2 tp -142.3 -48.06 0.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.188 0.595 . . . . 99.99 110.757 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -71.52 103.73 3.06 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.278 0.561 . . . . 99.99 111.4 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -102.15 175.51 5.5 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.26 1.024 . . . . 99.99 108.949 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . 76.84 -44.23 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.434 1.494 . . . . 99.99 112.884 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 57.9 m 66.55 95.24 0.05 OUTLIER Pre-proline 0 CA--C 1.559 1.316 0 C-N-CA 124.35 1.06 . . . . 99.99 110.925 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.38 140.31 87.27 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.988 2.459 . . . . 99.99 112.51 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 73.24 -4.6 2.15 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.842 1.657 . . . . 99.99 112.479 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . 64.19 -73.48 0.05 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.343 1.457 . . . . 99.99 112.469 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 56.5 tp -137.9 155.81 48.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.069 0.948 . . . . 99.99 109.827 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . 0.513 HG23 HG22 ' E' ' 185' ' ' VAL . 26.9 m -64.31 131.73 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 C-N-CA 123.415 0.686 . . . . 99.99 110.52 173.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.71 -59.33 2.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.879 0.872 . . . . 99.99 111.883 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . 0.457 ' HA ' ' HD3' ' E' ' 188' ' ' ARG . 3.9 p80 -88.39 -12.62 42.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 119.295 -0.383 . . . . 99.99 111.926 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . 0.513 HG22 HG23 ' E' ' 182' ' ' VAL . 3.9 t 51.53 40.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 C-N-CA 124.398 1.079 . . . . 99.99 110.438 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 24.8 m 60.82 -88.51 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.379 1.472 . . . . 99.99 111.407 -170.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 24.3 p -79.17 87.79 4.89 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.34 0.656 . . . . 99.99 109.423 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' E' ' 184' ' ' HIS . 24.7 tpt180 -75.69 -51.79 11.95 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.966 -0.561 . . . . 99.99 110.191 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -107.74 -85.19 0.52 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 171.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 71.7 m 53.0 -177.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.544 0.738 . . . . 99.99 112.342 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . . . . . . . . . 32.0 t80 54.49 26.72 7.46 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 124.029 0.932 . . . . 99.99 111.354 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . -53.63 -46.09 66.98 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.635 1.112 . . . . 99.99 114.844 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.06 -12.26 7.08 Favored 'Trans proline' 0 C--N 1.394 2.954 0 C-N-CA 123.487 2.791 . . . . 99.99 115.703 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 36.4 t 76.56 -0.61 3.02 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.998 1.319 . . . . 99.99 112.125 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -162.8 -95.04 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.761 0.824 . . . . 99.99 109.841 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 36.0 m 43.66 79.12 0.05 OUTLIER 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.82 1.248 . . . . 99.99 111.71 -171.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' E' ' 199' ' ' LYS . 55.3 p -61.21 -61.05 2.83 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.877 -1.056 . . . . 99.99 110.772 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 55.7 -1.18 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 126.903 2.081 . . . . 99.99 115.528 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . 0.611 ' HD2' ' HB2' ' E' ' 324' ' ' MET . 21.6 pttm -175.56 -27.37 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.6 0.76 . . . . 99.99 110.877 -166.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 23.2 t -64.68 -44.88 75.23 Favored Pre-proline 0 CA--C 1.572 1.788 0 N-CA-C 113.485 0.92 . . . . 99.99 113.485 -169.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' E' ' 197' ' ' SER . 50.7 Cg_endo -94.92 19.66 0.65 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 122.128 1.885 . . . . 99.99 112.997 169.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.34 10.28 Favored Glycine 0 C--N 1.349 1.261 0 C-N-CA 123.282 0.468 . . . . 99.99 112.04 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 70.12 -66.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.823 1.649 . . . . 99.99 110.9 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -158.68 134.63 9.0 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.589 1.156 . . . . 99.99 108.108 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.07 153.86 33.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.045 0.538 . . . . 99.99 110.943 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 60.37 87.25 0.09 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.483 1.113 . . . . 99.99 111.789 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.45 122.15 44.93 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.677 0.791 . . . . 99.99 110.839 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . 0.483 ' HA2' ' HG2' ' E' ' 337' ' ' LYS . . . -176.52 156.02 20.02 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 115.775 -0.648 . . . . 99.99 112.31 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 74.06 -87.31 0.67 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 123.605 0.238 . . . . 99.99 112.826 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -138.24 146.5 42.65 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.807 1.243 . . . . 99.99 109.145 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . 139.92 -114.19 0.96 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.239 -0.756 . . . . 99.99 111.24 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m 71.14 -67.71 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.748 1.619 . . . . 99.99 112.365 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' E' ' 216' ' ' GLN . 46.1 pt -80.16 26.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.812 1.245 . . . . 99.99 113.201 -172.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 19.0 m -63.03 -80.77 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.331 0.652 . . . . 99.99 111.173 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -92.18 -12.3 33.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.784 0.833 . . . . 99.99 111.404 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . 0.684 HE22 ' HG3' ' E' ' 323' ' ' GLN . 1.0 OUTLIER -56.73 -33.52 66.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.156 1.383 . . . . 99.99 112.098 -174.108 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.1 -34.06 67.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.688 0.795 . . . . 99.99 112.443 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.81 113.38 9.78 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 109.521 -0.548 . . . . 99.99 109.521 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -159.45 177.96 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.195 0.998 . . . . 99.99 110.101 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . -130.98 56.04 1.81 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.069 0.948 . . . . 99.99 109.215 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -126.3 1.46 7.06 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.414 1.085 . . . . 99.99 110.816 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -76.25 -74.45 0.23 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.54 0.736 . . . . 99.99 111.441 -169.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.52 85.46 6.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.074 0.94 . . . . 99.99 110.499 -170.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 52.8 t -106.89 160.68 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.753 1.221 . . . . 99.99 107.979 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 39.4 p -56.67 160.62 3.21 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.366 0.667 . . . . 99.99 110.968 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.1 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.252 1.021 . . . . 99.99 113.166 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . -122.8 12.57 8.72 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 114.473 -1.24 . . . . 99.99 112.965 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . 0.596 ' HA3' ' HA ' ' E' ' 428' ' ' GLU . . . 81.29 76.97 1.03 Allowed Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.194 -0.762 . . . . 99.99 111.194 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . -122.77 -23.9 2.19 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 119.562 -0.576 . . . . 99.99 113.881 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' E' ' 438' ' ' GLN . . . 63.99 -145.33 0.3 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.633 0.773 . . . . 99.99 110.599 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' E' ' 440' ' ' ARG . 0.8 OUTLIER 67.86 -81.34 0.03 OUTLIER 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.01 1.324 . . . . 99.99 109.836 -178.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.4 p -80.9 -73.4 0.37 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 41.5 t80 50.11 -87.11 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 125.744 1.617 . . . . 99.99 112.406 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . 0.409 ' HA ' HD22 ' E' ' 315' ' ' ASN . . . -153.74 -83.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.031 0.932 . . . . 99.99 108.578 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 41.58 -88.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.46 1.904 . . . . 99.99 113.336 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 26.1 p -138.46 157.11 46.83 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 125.829 1.651 . . . . 99.99 107.278 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.83 -64.4 0.94 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.083 -0.339 . . . . 99.99 110.083 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 94.3 m 64.85 -71.4 0.08 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.354 1.462 . . . . 99.99 111.486 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.61 7.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.219 1.008 . . . . 99.99 109.964 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -170.67 -135.18 1.87 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-N 115.818 -0.628 . . . . 99.99 111.542 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -72.54 114.46 10.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.518 0.727 . . . . 99.99 110.108 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -74.97 157.17 35.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.461 1.105 . . . . 99.99 111.305 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 73.0 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.504 1.522 . . . . 99.99 112.425 175.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . 156.61 -57.34 0.38 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 116.226 -0.443 . . . . 99.99 113.145 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.419 ' HD2' HG23 ' E' ' 246' ' ' THR . 0.0 OUTLIER -72.58 -7.82 52.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.742 1.016 . . . . 99.99 113.742 -169.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . 0.419 HG23 ' HD2' ' E' ' 245' ' ' LYS . 17.9 p -102.82 -9.16 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.172 0.989 . . . . 99.99 112.261 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.79 -28.31 15.97 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.74 1.385 . . . . 99.99 114.74 -169.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.69 -71.59 0.11 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.548 1.314 . . . . 99.99 114.548 -145.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -95.05 -76.99 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.502 1.501 . . . . 99.99 109.96 170.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.05 -76.87 0.39 Allowed 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.754 -1.943 . . . . 99.99 105.754 159.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . . . -108.79 -71.1 0.77 Allowed 'General case' 0 C--N 1.351 0.666 0 CA-C-O 121.894 0.854 . . . . 99.99 111.045 149.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -97.58 -16.55 20.0 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 114.025 -1.443 . . . . 99.99 112.739 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -62.59 2.45 0.28 Allowed 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 117.523 2.416 . . . . 99.99 117.523 -152.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -54.7 87.56 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 124.205 1.002 . . . . 99.99 113.602 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . 59.97 13.66 27.64 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.933 1.133 . . . . 99.99 115.933 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -75.18 -20.27 59.41 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 117.455 0.628 . . . . 99.99 111.803 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -160.16 -165.59 1.5 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.128 0.971 . . . . 99.99 109.471 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.84 20.79 10.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.728 1.211 . . . . 99.99 112.111 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.17 -12.39 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 C-N-CA 123.29 0.636 . . . . 99.99 110.531 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 30.2 t 82.26 -58.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.14 1.776 . . . . 99.99 113.1 170.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.83 -30.31 71.39 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.598 0.759 . . . . 99.99 112.114 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.33 67.56 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 123.876 0.87 . . . . 99.99 112.23 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -61.01 -7.12 2.24 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.178 0.991 . . . . 99.99 113.439 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 15.2 t 65.41 27.01 11.92 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.959 1.304 . . . . 99.99 109.78 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' C' ' 139' ' ' ASN . 2.3 pt? -37.74 -54.21 1.23 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.432 1.893 . . . . 99.99 114.741 -162.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . 0.623 HD22 ' HA ' ' C' ' 144' ' ' GLN . 45.1 t30 -152.98 101.42 2.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.357 -0.608 . . . . 99.99 109.357 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 36.2 t -119.14 1.31 11.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.708 -1.133 . . . . 99.99 108.989 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' E' ' 286' ' ' MET . 22.9 m -91.14 6.62 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.534 0.734 . . . . 99.99 111.017 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 13.1 p 56.81 -75.05 0.02 OUTLIER 'General case' 0 C--N 1.363 1.187 0 C-N-CA 126.213 1.805 . . . . 99.99 112.948 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' E' ' 273' ' ' GLN . 48.5 mt-10 -122.33 174.0 7.28 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.936 0.494 . . . . 99.99 110.544 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -59.76 -65.94 0.6 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.155 0.909 . . . . 99.99 111.523 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' E' ' 275' ' ' LYS . 59.8 t30 -99.62 -64.59 1.03 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.539 -0.541 . . . . 99.99 109.539 173.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.642 ' HB2' ' HB2' ' E' ' 270' ' ' GLU . 53.9 tt0 47.89 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 123.955 0.902 . . . . 99.99 113.344 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -127.72 20.62 6.56 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.744 1.218 . . . . 99.99 111.135 -173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' E' ' 272' ' ' ASN . 25.5 mmtp -74.36 128.27 86.23 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.146 -0.972 . . . . 99.99 109.03 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . 0.515 ' HG3' ' HB3' ' E' ' 282' ' ' ALA . 93.0 Cg_endo -79.82 157.48 24.31 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.848 2.365 . . . . 99.99 114.56 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . . . . . . . . . 10.2 tt -71.64 119.17 15.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.197 1.399 . . . . 99.99 110.269 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.3 133.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.933 1.293 . . . . 99.99 112.421 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . . . . . . . . . . . 88.3 -48.41 3.6 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 111.745 -0.542 . . . . 99.99 111.745 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . 0.529 HD22 ' HA3' ' C' ' 99' ' ' GLY . 4.5 tp 62.86 -164.8 0.25 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.367 1.467 . . . . 99.99 111.163 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . 0.433 ' H ' ' HG ' ' E' ' 280' ' ' LEU . 3.8 m-85 56.73 -97.41 0.07 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 125.432 1.493 . . . . 99.99 110.127 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . 0.515 ' HB3' ' HG3' ' E' ' 276' ' ' PRO . . . 50.68 -155.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.025 1.33 . . . . 99.99 113.812 168.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.61 123.77 25.46 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.115 0.566 . . . . 99.99 109.763 170.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . 162.11 -103.64 0.22 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 110.349 -1.1 . . . . 99.99 110.349 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -166.13 93.27 0.52 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.417 0.687 . . . . 99.99 109.395 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . 0.43 ' HA ' HG12 ' E' ' 268' ' ' VAL . 15.3 tpt -152.29 59.01 2.8 Favored Pre-proline 0 CA--C 1.566 1.582 0 C-N-CA 123.968 0.907 . . . . 99.99 108.791 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . 0.486 ' HB2' ' NH1' ' E' ' 289' ' ' ARG . 11.4 Cg_endo -95.52 126.73 0.37 Allowed 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.17 2.58 . . . . 99.99 113.325 -174.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . . . . . . . . . 67.0 t -88.8 137.63 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.114 0.966 . . . . 99.99 111.537 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . 0.486 ' NH1' ' HB2' ' E' ' 287' ' ' PRO . 9.8 mpt_? -102.53 168.38 9.32 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.486 1.114 . . . . 99.99 109.962 174.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -82.33 104.01 12.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.755 0.822 . . . . 99.99 110.479 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -16.37 51.36 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.383 0.673 . . . . 99.99 111.223 172.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -87.53 175.55 45.81 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.524 -0.598 . . . . 99.99 113.11 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.13 111.19 1.94 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.931 2.42 . . . . 99.99 111.654 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -74.29 82.38 1.87 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.052 0.941 . . . . 99.99 109.734 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' E' ' 298' ' ' HIS . . . -133.9 45.27 2.66 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.033 -0.985 . . . . 99.99 110.259 -175.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . . . . . . . . . 8.3 m -69.0 125.17 25.82 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.408 -0.814 . . . . 99.99 109.229 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' C' ' 36' ' ' TRP . 15.1 m-30 63.8 35.25 11.3 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.48 1.113 . . . . 99.99 111.104 -175.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . 0.473 ' HB2' ' HB1' ' E' ' 295' ' ' ALA . 86.2 t60 -62.59 -33.75 75.61 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.499 0.719 . . . . 99.99 110.615 172.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . -126.94 68.74 0.53 Allowed Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.973 -0.851 . . . . 99.99 110.973 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 55.52 -145.99 0.59 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.342 1.057 . . . . 99.99 110.118 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.58 ' HA ' ' HD3' ' C' ' 124' ' ' PRO . 0.2 OUTLIER -107.43 109.97 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 N-CA-C 107.482 -1.303 . . . . 99.99 107.482 158.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 31.7 t70 57.08 80.51 0.16 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.938 1.295 . . . . 99.99 111.832 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -75.05 -40.29 3.62 Favored Pre-proline 0 CA--C 1.558 1.258 0 CA-C-O 118.512 -0.756 . . . . 99.99 112.224 171.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.96 69.15 3.84 Favored 'Trans proline' 0 C--N 1.392 2.862 0 C-N-CA 122.075 1.85 . . . . 99.99 111.074 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -73.47 163.35 28.17 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.652 -1.158 . . . . 99.99 109.694 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' B' ' 129' ' ' ALA . 40.7 t -76.6 107.78 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.362 -168.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . 0.575 HG23 HG21 ' B' ' 40' ' ' VAL . 5.2 t -137.68 168.85 18.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.735 1.214 . . . . 99.99 109.918 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' E' ' 4' ' ' SER . 41.8 t -134.9 60.72 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.223 1.009 . . . . 99.99 108.901 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 27.3 p -122.19 98.02 44.85 Favored Pre-proline 0 CA--C 1.552 1.037 0 CA-C-N 115.441 -0.799 . . . . 99.99 111.121 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.31 170.18 10.8 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.756 2.304 . . . . 99.99 112.194 166.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -169.2 103.06 0.48 Allowed Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.466 0.706 . . . . 99.99 109.848 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.24 84.53 0.57 Allowed 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.68 2.253 . . . . 99.99 111.16 173.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.7 -67.68 0.47 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.643 0.777 . . . . 99.99 112.001 -172.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . 0.442 ' HE ' ' HG2' ' B' ' 70' ' ' GLU . 8.2 tmm_? -72.44 -31.34 65.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.401 0.68 . . . . 99.99 111.329 -173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' E' ' 234' ' ' ALA . 2.6 m-20 -72.29 94.96 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.168 0.587 . . . . 99.99 110.365 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -140.36 -63.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.642 1.177 . . . . 99.99 107.999 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 46.4 m -72.66 121.74 20.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.138 -0.937 . . . . 99.99 111.053 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.42 148.31 41.46 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.309 1.044 . . . . 99.99 109.338 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.82 94.34 0.27 Allowed 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 121.917 1.745 . . . . 99.99 110.224 170.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 14.7 m -80.24 35.16 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.926 1.29 . . . . 99.99 111.545 -171.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . 0.458 ' HG ' ' HG2' ' E' ' 330' ' ' GLU . 2.9 mm? 53.71 -95.5 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.571 1.548 . . . . 99.99 110.303 -175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . 49.28 32.11 4.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.442 1.097 . . . . 99.99 112.673 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.684 ' HG3' HE22 ' E' ' 216' ' ' GLN . 25.9 tp60 -38.65 -35.79 0.21 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 127.232 2.213 . . . . 99.99 114.257 -169.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . 0.611 ' HB2' ' HD2' ' E' ' 199' ' ' LYS . 0.0 OUTLIER -150.59 -31.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.95 0.5 . . . . 99.99 111.226 171.677 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . 0.459 ' HB ' ' HE3' ' E' ' 199' ' ' LYS . 13.9 t -137.79 150.73 47.46 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.532 0.605 . . . . 99.99 111.864 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . 0.26 3.0 p-10 32.6 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 127.286 2.235 . . . . 99.99 115.372 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -176.22 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.342 0.657 . . . . 99.99 109.6 -167.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -66.84 -2.29 4.96 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 2.6 pp -60.77 -16.77 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.684 0.794 . . . . 99.99 112.879 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . 0.458 ' HG2' ' HG ' ' E' ' 321' ' ' LEU . 0.5 OUTLIER -62.81 -41.16 99.18 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.855 0.862 . . . . 99.99 109.209 174.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.98 -39.91 65.72 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.757 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . . . . . . . . . 5.2 tt 66.69 -76.86 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.154 1.382 . . . . 99.99 109.722 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 16.5 m 68.45 -77.7 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.432 1.493 . . . . 99.99 110.958 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 138.91 37.24 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.042 0.937 . . . . 99.99 109.375 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -113.72 -179.05 3.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.117 0.567 . . . . 99.99 110.2 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -25.02 68.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.874 1.27 . . . . 99.99 111.815 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.483 ' HG2' ' HA2' ' E' ' 208' ' ' GLY . 0.1 OUTLIER -85.5 65.81 9.36 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.564 0.746 . . . . 99.99 109.058 177.622 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.31 -39.49 26.4 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.908 -0.587 . . . . 99.99 112.132 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -65.98 153.81 41.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.989 0.916 . . . . 99.99 109.574 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . 0.457 ' O ' ' HE2' ' E' ' 337' ' ' LYS . 63.4 m-85 -60.88 -58.25 9.24 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.641 0.588 . . . . 99.99 110.68 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 28.0 tp 58.99 11.25 1.86 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.356 1.063 . . . . 99.99 112.255 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -140.68 115.2 9.44 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.368 -0.975 . . . . 99.99 108.368 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.72 128.68 4.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 108.396 -0.964 . . . . 99.99 108.396 172.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.72 141.02 30.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.0 0.52 . . . . 99.99 109.966 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -87.28 -126.03 2.15 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . 53.12 -105.91 0.27 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.788 1.235 . . . . 99.99 110.857 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 21.5 m 50.18 39.28 19.28 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.465 1.106 . . . . 99.99 111.26 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.1 142.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 114.905 -1.043 . . . . 99.99 112.444 -168.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -94.14 143.59 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.45 -23.36 64.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.353 0.661 . . . . 99.99 112.261 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 68.23 -75.87 0.06 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.152 1.381 . . . . 99.99 111.027 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.72 -53.97 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.738 0.815 . . . . 99.99 110.081 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.19 -12.48 56.84 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.231 0.826 . . . . 99.99 113.231 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . -70.94 87.29 0.73 Allowed 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.255 0.48 . . . . 99.99 109.975 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . 177.26 42.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.899 1.68 . . . . 99.99 108.133 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.414 ' HA ' ' HD3' ' E' ' 357' ' ' PRO . 56.0 m-20 -74.47 130.9 81.05 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 115.725 -0.67 . . . . 99.99 110.96 -173.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' E' ' 356' ' ' ASN . 7.6 Cg_exo -73.29 -174.75 1.71 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.262 2.641 . . . . 99.99 111.98 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 25.7 p -69.21 -51.65 35.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.185 0.594 . . . . 99.99 110.236 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 132.65 122.58 2.35 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.319 -0.712 . . . . 99.99 111.319 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . 0.499 ' HG2' HG13 ' E' ' 361' ' ' ILE . 40.9 tt0 61.43 -84.43 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.466 1.506 . . . . 99.99 111.289 -177.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.499 HG13 ' HG2' ' E' ' 360' ' ' GLN . 1.6 pp -154.61 12.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.611 1.164 . . . . 99.99 110.399 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 73.73 -104.06 1.55 Allowed Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.068 -0.813 . . . . 99.99 111.068 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 62.06 -74.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.825 1.65 . . . . 99.99 112.666 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 6.8 m 65.35 36.97 6.56 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.66 1.184 . . . . 99.99 111.451 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.17 138.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.094 0.958 . . . . 99.99 110.072 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -111.66 159.64 18.01 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.702 -0.481 . . . . 99.99 109.702 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.66 -43.17 80.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.667 0.787 . . . . 99.99 110.116 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.443 ' O ' HG12 ' E' ' 371' ' ' VAL . 0.2 OUTLIER -63.82 -32.16 73.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.515 0.726 . . . . 99.99 110.804 -175.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -57.74 -22.41 46.5 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.181 1.392 . . . . 99.99 112.598 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' E' ' 373' ' ' ARG . . . -56.38 -18.83 12.2 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.401 0.889 . . . . 99.99 113.401 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . 0.502 HG13 ' NE2' ' E' ' 372' ' ' GLN . 14.4 p -71.54 -33.4 49.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 122.588 0.355 . . . . 99.99 110.546 174.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . 0.502 ' NE2' HG13 ' E' ' 371' ' ' VAL . 2.8 mp0 -67.47 -46.36 73.24 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 109.195 -0.669 . . . . 99.99 109.195 166.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' E' ' 370' ' ' ALA . 40.9 ttm-85 -64.57 -21.96 66.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.462 1.105 . . . . 99.99 112.265 -173.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.38 85.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.231 0.613 . . . . 99.99 110.854 171.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.19 -33.6 61.44 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.863 0.865 . . . . 99.99 109.908 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.01 -21.52 60.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.514 0.726 . . . . 99.99 111.454 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.1 -42.35 56.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.902 -0.777 . . . . 99.99 108.902 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.81 1.79 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.876 0.735 . . . . 99.99 111.099 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -88.03 -66.52 0.91 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.483 0.313 . . . . 99.99 111.696 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 72.81 -56.98 0.65 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.425 1.49 . . . . 99.99 110.73 -166.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.46 136.27 0.05 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.028 1.331 . . . . 99.99 111.965 169.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 168.94 -87.86 0.09 OUTLIER Glycine 0 C--N 1.342 0.88 0 N-CA-C 111.021 -0.832 . . . . 99.99 111.021 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -94.48 23.99 4.86 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 108.663 -0.866 . . . . 99.99 108.663 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 9.3 m -83.74 139.44 32.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.129 0.971 . . . . 99.99 109.572 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 53.8 tp 67.93 -77.87 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.937 1.295 . . . . 99.99 112.3 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 33.2 m -72.87 137.61 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 123.534 0.734 . . . . 99.99 112.179 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.3 109.81 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.961 -1.126 . . . . 99.99 107.961 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.52 119.06 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.323 1.049 . . . . 99.99 109.809 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 25.0 p -124.86 122.62 37.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.949 -1.13 . . . . 99.99 107.949 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.04 156.5 16.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.87 0.868 . . . . 99.99 110.21 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -138.6 164.77 28.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.778 1.231 . . . . 99.99 108.687 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' E' ' 393' ' ' ALA . 67.4 m80 113.88 -167.17 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 128.026 2.53 . . . . 99.99 110.748 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . 0.414 ' H ' ' HB3' ' E' ' 392' ' ' HIS . . . -54.19 126.84 24.48 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.227 1.011 . . . . 99.99 112.656 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -96.06 -43.77 7.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.919 0.888 . . . . 99.99 111.028 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -120.35 -48.58 2.3 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.326 0.65 . . . . 99.99 110.874 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 20.2 m -87.6 71.58 9.7 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.224 0.61 . . . . 99.99 110.65 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.79 84.06 5.64 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.124 0.57 . . . . 99.99 109.84 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 4.1 mp 39.11 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.876 1.67 . . . . 99.99 112.435 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 9.7 m -112.44 -50.85 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 122.947 0.499 . . . . 99.99 110.84 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . . . . . . . . . . . 39.74 72.73 0.94 Allowed Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 125.142 1.377 . . . . 99.99 111.742 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.38 126.38 19.14 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 121.9 1.733 . . . . 99.99 111.849 -173.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -68.99 -33.09 73.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.121 -0.945 . . . . 99.99 109.723 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 3.2 m 61.64 20.64 11.48 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.019 1.328 . . . . 99.99 110.792 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.92 110.19 20.88 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.44 -0.948 . . . . 99.99 108.44 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -83.94 116.63 65.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 123.912 0.885 . . . . 99.99 110.297 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.26 88.96 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.187 1.925 . . . . 99.99 110.381 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -174.37 -110.88 0.26 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-O 118.909 -0.939 . . . . 99.99 110.899 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.81 30.46 20.02 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.893 0.877 . . . . 99.99 110.54 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . 0.406 HG22 HD13 ' E' ' 412' ' ' LEU . 3.7 m -131.86 47.74 2.49 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.177 0.991 . . . . 99.99 108.933 -175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.69 -49.98 34.63 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 114.869 -1.06 . . . . 99.99 110.071 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . -88.42 100.51 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.552 -0.907 . . . . 99.99 108.552 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . 0.406 HD13 HG22 ' E' ' 409' ' ' THR . 3.8 mm? -66.98 -27.58 67.57 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.609 0.763 . . . . 99.99 111.03 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 76.97 -43.33 0.44 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 125.839 1.656 . . . . 99.99 112.097 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 98.79 0.09 Allowed 'General case' 0 C--N 1.348 0.523 0 C-N-CA 123.623 0.769 . . . . 99.99 109.039 170.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -64.89 135.46 55.74 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.297 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.08 -40.71 86.05 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.278 0.986 . . . . 99.99 109.497 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 64.73 76.18 0.32 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 114.464 -1.244 . . . . 99.99 112.331 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.17 42.15 0.92 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.182 0.593 . . . . 99.99 110.841 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 9.9 t -87.88 58.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 124.406 1.082 . . . . 99.99 108.36 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' E' ' 423' ' ' SER . 3.4 mpp? 59.44 7.56 1.0 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.102 1.761 . . . . 99.99 114.939 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.05 -35.28 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 118.53 0.604 . . . . 99.99 111.351 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -137.69 8.8 2.84 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.481 0.712 . . . . 99.99 110.576 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' E' ' 420' ' ' MET . 28.7 t -130.58 117.51 19.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 -177.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.49 22.21 7.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.979 0.912 . . . . 99.99 108.76 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 78.45 90.53 0.37 Allowed Glycine 0 C--N 1.348 1.223 0 N-CA-C 108.607 -1.797 . . . . 99.99 108.607 -159.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -68.58 0.28 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.914 0.886 . . . . 99.99 111.742 -167.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 7.1 p -179.75 -64.97 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.931 0.492 . . . . 99.99 111.653 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . 0.596 ' HA ' ' HA3' ' E' ' 228' ' ' GLY . 41.3 mt-10 79.41 -51.84 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.663 1.585 . . . . 99.99 112.694 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 6.46 6.13 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.055 1.131 . . . . 99.99 114.055 -171.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.22 -66.68 0.37 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.647 1.179 . . . . 99.99 113.39 -160.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 20.1 m -92.79 -64.3 1.12 Allowed 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.527 0.517 . . . . 99.99 110.905 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . 0.621 ' HG3' ' HA2' ' E' ' 436' ' ' GLY . 0.0 OUTLIER -94.86 -67.4 0.86 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.671 0.989 . . . . 99.99 113.671 -167.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.27 -71.16 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 120.994 0.426 . . . . 99.99 110.747 -165.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -101.29 -43.03 6.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.548 0.739 . . . . 99.99 109.534 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 26.5 m -157.82 -70.89 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.3 1.44 . . . . 99.99 107.207 170.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . 0.621 ' HA2' ' HG3' ' E' ' 432' ' ' GLN . . . 159.68 98.45 0.14 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 114.757 -1.11 . . . . 99.99 110.878 -174.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 19.3 m 75.28 -36.71 0.31 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 125.627 1.571 . . . . 99.99 112.452 -177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . 0.421 ' HA ' ' HB1' ' E' ' 230' ' ' ALA . 2.6 mp0 65.32 15.87 10.24 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.137 1.375 . . . . 99.99 111.915 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.46 -177.77 4.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.92 0.888 . . . . 99.99 111.166 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' E' ' 231' ' ' LYS . 0.0 OUTLIER -136.69 151.36 49.18 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.499 1.12 . . . . 99.99 109.437 178.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 64.5 mt -112.74 150.52 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 124.425 1.09 . . . . 99.99 110.365 -172.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . 76.56 -64.08 0.35 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.761 1.624 . . . . 99.99 112.932 168.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . . . . . . . . . . . -65.78 97.45 0.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.532 0.733 . . . . 99.99 111.352 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -99.33 -50.14 4.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.57 0.748 . . . . 99.99 109.849 176.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 150.57 151.57 5.58 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.421 -0.655 . . . . 99.99 112.626 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.29 154.63 14.31 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.617 2.211 . . . . 99.99 111.612 172.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -99.82 -46.26 5.45 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.793 0.437 . . . . 99.99 110.529 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 66.05 114.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.061 1.344 . . . . 99.99 113.246 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 153' ' ' GLN . . . -112.69 95.43 5.42 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.863 0.865 . . . . 99.99 109.97 175.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -95.73 -89.33 0.25 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.622 0.769 . . . . 99.99 109.807 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.85 152.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.13 -1.433 . . . . 99.99 107.13 168.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . . . . . . . . . 47.6 t 73.2 97.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.76 1.224 . . . . 99.99 110.572 -173.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -118.45 99.97 0.82 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.535 -1.026 . . . . 99.99 110.535 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.79 154.09 21.83 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 117.389 0.595 . . . . 99.99 111.168 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . . . . . . . . . 97.5 m -142.87 139.27 30.77 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.418 -0.956 . . . . 99.99 108.418 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -157.15 -165.55 1.85 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.194 0.598 . . . . 99.99 110.742 -170.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -92.24 -52.44 4.68 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.251 1.02 . . . . 99.99 110.875 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 92.1 m -149.02 -59.52 0.22 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.762 0.825 . . . . 99.99 109.226 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 22.3 m-20 -112.37 -57.42 2.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.908 -1.145 . . . . 99.99 107.908 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 45' ' ' ASP . 1.9 tm? -149.83 144.79 26.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.776 -1.564 . . . . 99.99 106.776 172.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . 0.403 ' HZ ' ' CD2' ' A' ' 137' ' ' PHE . 25.5 p90 -63.66 85.38 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.043 0.937 . . . . 99.99 109.291 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -144.29 152.6 41.0 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.706 -0.621 . . . . 99.99 110.618 -170.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 3.4 t -161.17 -47.69 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.785 -1.098 . . . . 99.99 109.234 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 42' ' ' LEU . 25.2 ttt 55.35 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.421 1.488 . . . . 99.99 111.613 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -151.11 146.49 26.19 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.226 1.01 . . . . 99.99 108.643 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.46 59.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.544 1.137 . . . . 99.99 112.419 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -160.19 167.16 28.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.045 0.938 . . . . 99.99 110.48 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.526 ' HB2' HG23 ' A' ' 40' ' ' VAL . 25.9 mt -78.54 -44.34 24.54 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.711 -0.677 . . . . 99.99 109.219 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . 146.9 -90.61 0.15 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 115.838 -0.619 . . . . 99.99 113.31 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . . . . . . . . . 60.8 mt 61.35 34.86 18.2 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.56 1.144 . . . . 99.99 110.314 -167.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--O 1.255 1.374 0 C-N-CA 124.485 1.114 . . . . 99.99 108.621 -179.028 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 109.425 -0.583 . . . . 99.99 109.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -145.9 6.35 1.04 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.801 0.84 . . . . 99.99 109.899 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.552 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 8.5 mp0 -98.28 41.86 1.12 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.743 1.217 . . . . 99.99 108.422 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -88.47 53.67 2.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.669 0.788 . . . . 99.99 109.976 -171.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 53.07 -97.65 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.385 1.474 . . . . 99.99 112.618 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t30 55.51 103.09 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.287 1.435 . . . . 99.99 111.721 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 p -88.33 -136.12 0.1 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.652 0.781 . . . . 99.99 110.154 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 73.71 39.46 0.55 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.703 1.201 . . . . 99.99 111.217 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.45 152.62 44.76 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.352 -0.84 . . . . 99.99 110.719 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 64.8 m -144.49 110.95 5.59 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.426 -1.324 . . . . 99.99 107.426 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.652 ' HE2' ' HB3' ' A' ' 84' ' ' PHE . 3.7 t80 -137.8 136.25 37.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.95 0.5 . . . . 99.99 110.307 -172.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -150.02 130.04 13.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.381 1.073 . . . . 99.99 108.325 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 84' ' ' PHE . 62.3 mt -93.9 131.29 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.26 -0.645 . . . . 63.61 109.26 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -96.33 -39.81 9.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.907 0.883 . . . . 99.99 111.179 -173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -168.38 133.5 1.73 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.578 -0.527 . . . . 87.02 109.578 -170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.0 mt -128.62 134.0 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.938 -0.764 . . . . 27.8 108.938 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HE2' ' HB1' ' B' ' 28' ' ' ALA . 17.7 p90 -165.69 169.83 14.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.421 1.088 . . . . 37.37 110.179 -172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.8 p -88.92 121.52 31.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.303 -0.629 . . . . 12.57 109.303 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -85.09 -25.06 27.79 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 110.035 -0.357 . . . . 37.56 110.035 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 18.2 t70 -157.98 145.24 18.15 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.148 -0.933 . . . . 38.09 109.571 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' B' ' 23' ' ' PHE . 78.8 mt -140.64 148.71 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.117 1.367 . . . . 5.43 107.985 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -152.37 146.86 25.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.832 0.853 . . . . 6.92 109.755 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' HB3' ' HB ' ' B' ' 21' ' ' ILE . 77.4 t80 -152.72 111.46 3.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 106.579 -1.637 . . . . 5.61 106.579 172.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -120.55 118.93 31.48 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.953 -0.388 . . . . 36.27 109.953 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 28' ' ' ALA . . . -129.95 79.8 72.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 108.724 -0.843 . . . . 12.68 108.724 177.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.42 -21.23 23.04 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.839 2.36 . . . . 32.78 111.77 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 31' ' ' VAL . 92.3 m-20 -110.48 21.81 16.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.614 0.765 . . . . 80.05 110.543 178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -53.65 -48.81 91.95 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 113.344 0.868 . . . . 31.49 113.344 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HB3' ' HG3' ' B' ' 57' ' ' GLU . 5.2 Cg_exo -74.62 -22.91 15.21 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 121.821 1.681 . . . . 44.68 111.659 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 20.0 m-70 -74.7 -24.62 58.79 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.685 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 27' ' ' ASN . 88.4 t -53.98 -33.95 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 118.884 0.765 . . . . 99.99 111.761 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -65.74 -39.32 91.01 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 115.685 -0.689 . . . . 99.99 110.851 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -87.58 -12.35 45.95 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.673 1.189 . . . . 99.99 111.428 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HD3' HD11 ' A' ' 68' ' ' LEU . 9.1 mmpt? -82.03 165.57 20.54 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.989 0.916 . . . . 99.99 110.681 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.88 143.12 47.88 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.887 -0.597 . . . . 99.99 109.962 170.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -85.2 64.78 8.87 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.954 0.902 . . . . 99.99 108.746 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -136.72 72.28 56.37 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 124.185 0.994 . . . . 99.99 109.652 177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.49 124.38 6.39 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.214 1.943 . . . . 57.34 111.898 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.08 106.35 18.34 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG21 HD23 ' E' ' 468' ' ' LEU . 23.1 t -78.05 92.9 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.751 -1.113 . . . . 48.36 109.424 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.66 113.04 24.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD11 ' O ' ' E' ' 464' ' ' MET . 4.3 pp -116.11 148.86 39.85 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.031 -0.729 . . . . 97.85 109.031 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -137.99 131.66 31.09 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.618 -0.882 . . . . 85.15 108.618 -176.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD22 HD22 ' E' ' 460' ' ' LEU . 5.5 tt -117.68 117.49 29.5 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.686 -1.598 . . . . 99.99 106.686 177.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' ' 60' ' ' LEU . 21.8 t70 -129.49 149.68 51.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.5 1.12 . . . . 78.84 108.977 -172.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.4 m -122.99 142.78 50.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.095 0.558 . . . . 43.33 110.297 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 59' ' ' VAL . . . -131.36 152.47 50.57 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.538 1.135 . . . . 41.53 108.659 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' ' OH ' ' A' ' 56' ' ' TYR . 42.6 p -124.37 152.25 43.41 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.518 0.727 . . . . 88.8 111.491 -167.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -171.83 140.27 1.26 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.339 1.056 . . . . 73.87 109.474 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -114.26 147.51 38.9 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.718 0.807 . . . . 99.99 109.251 171.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -119.63 -38.68 2.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.572 0.749 . . . . 99.99 110.761 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.34 -170.98 3.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.22 0.608 . . . . 99.99 110.925 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.575 ' HB3' ' H ' ' E' ' 449' ' ' ALA . 8.9 p-10 -63.23 118.47 8.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.154 0.581 . . . . 99.99 109.937 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 66.7 -3.92 0.83 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.637 1.175 . . . . 99.99 113.138 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.63 107.92 20.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.124 -1.436 . . . . 99.99 107.124 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 48' ' ' SER . 21.3 t80 -127.78 124.72 38.37 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.034 -1.099 . . . . 99.99 108.034 -174.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.2 114.5 26.3 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 123.625 0.77 . . . . 57.04 109.475 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG11 ' HD3' ' A' ' 103' ' ' PRO . 59.6 t -102.69 128.56 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.769 -1.197 . . . . 54.22 107.769 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 59.9 t -105.16 141.33 20.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.601 0.76 . . . . 29.36 109.012 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -113.28 121.81 45.55 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.554 -1.276 . . . . 19.86 107.554 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -108.13 103.66 12.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.168 0.587 . . . . 99.99 109.961 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -101.26 129.53 52.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 114.872 -1.058 . . . . 13.6 108.484 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -124.0 129.99 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.965 -0.754 . . . . 17.22 108.965 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 76' ' ' CYS . 39.8 t -125.84 110.81 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.03 1.332 . . . . 14.92 108.428 -176.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 m -123.26 131.27 53.61 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.819 0.342 . . . . 21.43 110.241 -176.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.05 116.64 30.86 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.519 -1.289 . . . . 23.61 107.519 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -139.69 129.47 24.65 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.614 0.365 . . . . 57.75 110.24 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD11 ' HD3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -103.84 88.45 3.05 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.9 0.857 . . . . 99.99 109.461 174.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.73 -89.64 1.5 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-N 115.327 -0.851 . . . . 93.1 111.902 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -115.3 -25.13 8.13 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.94 121.24 29.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.732 0.413 . . . . 99.99 111.292 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 m -83.51 109.39 17.34 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.342 -0.614 . . . . 30.12 109.342 173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -53.75 54.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.879 0.872 . . . . 22.88 109.903 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.42 168.93 25.64 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.479 -1.237 . . . . 30.01 111.799 171.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.0 tp -140.88 145.41 36.12 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.022 1.329 . . . . 14.44 108.679 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 34.3 m -136.73 140.07 42.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.225 1.01 . . . . 14.43 108.322 174.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -149.86 122.5 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.497 -0.557 . . . . 35.14 109.497 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.9 t -127.69 118.67 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.123 0.569 . . . . 9.47 109.875 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 48.9 mt-30 -92.67 84.48 5.04 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.852 0.861 . . . . 43.33 109.156 172.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -77.64 100.09 6.03 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.578 -1.192 . . . . 15.31 109.282 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 59' ' ' VAL . . . -87.74 143.65 18.48 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 111.914 -0.474 . . . . 20.02 111.914 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' HA3' HD21 ' A' ' 106' ' ' LEU . . . -138.35 126.62 3.54 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.636 -0.986 . . . . 41.88 110.636 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.47 124.03 38.48 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 N-CA-C 108.512 -0.921 . . . . 66.87 108.512 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.652 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 51.7 m-85 -131.0 118.97 21.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.45 0.3 . . . . 77.52 110.759 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -79.03 92.0 4.93 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.139 -0.689 . . . . 99.99 109.139 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.06 145.13 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.56 0.744 . . . . 99.99 110.624 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -167.52 161.25 13.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.122 0.969 . . . . 99.99 109.772 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.55 9.67 86.71 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 123.472 0.483 . . . . 99.99 114.166 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.52 ' H ' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -111.74 135.66 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.03 0.532 . . . . 99.99 109.658 -175.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 12.6 pt-20 -156.42 170.98 21.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.332 0.653 . . . . 99.99 109.928 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.51 -117.12 9.16 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.49 0.493 . . . . 99.99 112.897 -177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.552 ' HB ' ' HG3' ' A' ' 3' ' ' GLU . 8.7 t -74.6 -34.23 62.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.301 1.04 . . . . 99.99 111.461 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -69.78 -32.92 71.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.569 0.747 . . . . 99.99 110.372 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.493 ' HB2' ' HA ' ' A' ' 90' ' ' GLU . 20.4 ttt -61.15 -47.73 84.86 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.941 0.897 . . . . 99.99 109.888 172.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' E' ' 455' ' ' THR . . . -63.17 -30.04 71.26 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.01 -0.995 . . . . 99.99 112.166 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.39 -59.34 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.43 0.692 . . . . 99.99 110.377 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 101' ' ' TYR . 33.9 t -57.56 -46.88 83.4 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.744 0.646 . . . . 99.99 112.744 -166.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.6 -24.22 24.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 112.705 0.632 . . . . 99.99 112.705 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -11.51 29.35 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 115.404 0.922 . . . . 99.99 115.404 -168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.74 -53.24 0.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.124 0.962 . . . . 95.56 111.648 -176.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB3' ' HA ' ' A' ' 97' ' ' CYS . 86.5 t80 -58.6 -59.32 5.58 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.532 1.533 . . . . 94.48 114.066 -174.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 88.3 m -66.29 -39.54 28.25 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.924 -0.56 . . . . 73.2 111.952 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HD3' HG11 ' A' ' 58' ' ' VAL . 53.1 Cg_exo -51.27 -40.65 60.9 Favored 'Trans proline' 0 C--N 1.391 2.776 0 C-N-CA 122.201 1.934 . . . . 48.9 113.389 164.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -64.34 -37.48 87.64 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.665 0.786 . . . . 94.19 112.404 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.66 -19.97 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 CA-C-O 120.865 0.364 . . . . 55.88 111.282 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.406 HD21 ' HA3' ' A' ' 82' ' ' GLY . 68.3 mt -77.37 -21.06 53.86 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.122 0.569 . . . . 21.71 111.668 174.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.51 -42.34 65.01 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 113.75 1.019 . . . . 15.39 113.75 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -50.84 -41.2 56.08 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.01 1.806 . . . . 9.95 114.134 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -73.36 -47.29 43.43 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.366 0.666 . . . . 20.66 111.756 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.04 86.12 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.89 0.476 . . . . 7.34 110.974 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -51.43 -53.3 38.33 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.575 1.172 . . . . 15.45 110.72 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.41 -37.22 74.43 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.198 0.936 . . . . 46.26 110.98 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.466 ' SG ' ' HD3' ' B' ' 120' ' ' ARG . 42.7 t -64.53 -31.77 73.13 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.045 0.45 . . . . 4.41 111.374 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 117' ' ' MET . 95.6 mt -73.76 -53.51 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.42 -0.809 . . . . 7.34 109.583 172.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.9 m -52.61 -39.54 61.77 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.801 1.24 . . . . 7.28 111.267 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.0 t -67.86 -47.97 67.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.699 -1.137 . . . . 4.96 110.646 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 114' ' ' ILE . 58.9 mtm -62.49 -40.81 97.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.085 0.554 . . . . 48.88 111.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.52 -47.48 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.929 0.891 . . . . 26.6 110.093 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.5 t -68.27 -32.61 72.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.096 0.958 . . . . 17.97 111.832 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.708 HH12 ' HG3' ' B' ' 112' ' ' GLU . 82.5 mtt-85 -73.17 -29.96 63.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.721 0.808 . . . . 8.38 109.937 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 122' ' ' THR . . . -86.18 21.1 17.9 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 124.073 0.858 . . . . 6.18 114.329 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 121' ' ' GLY . 2.9 t 60.96 11.08 3.11 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.64 1.976 . . . . 20.1 114.158 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -93.84 141.47 23.79 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 107.819 -1.178 . . . . 13.71 107.819 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.09 151.32 84.07 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 122.415 2.077 . . . . 20.05 112.415 -177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.15 139.88 34.01 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.346 1.058 . . . . 39.31 112.442 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.4 tp -129.74 97.12 4.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.918 -0.771 . . . . 56.76 108.918 173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -99.88 88.17 3.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.179 -0.919 . . . . 38.41 109.343 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.598 ' HB3' ' SD ' ' E' ' 464' ' ' MET . 92.9 mt -60.56 113.7 2.58 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.975 -0.557 . . . . 62.97 109.857 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' C' ' 13' ' ' ILE . . . -62.42 138.84 96.5 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.726 0.81 . . . . 56.46 111.555 -170.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -63.39 135.43 49.85 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.859 2.373 . . . . 77.42 113.621 -168.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.68 109.11 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.333 -1.358 . . . . 99.99 107.333 166.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.12 107.97 19.2 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.737 -0.838 . . . . 99.99 108.737 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.92 -51.02 70.77 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 123.77 0.669 . . . . 99.99 110.254 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.61 -40.45 56.4 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.624 -0.716 . . . . 99.99 112.673 -170.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.68 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.133 0.424 . . . . 99.99 111.237 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -44.58 9.05 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.087 1.355 . . . . 99.99 112.239 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -87.55 -41.19 13.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.62 0.768 . . . . 99.99 111.896 -169.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.61 ' SD ' HD13 ' A' ' 141' ' ' LEU . 93.1 mmm -58.21 -22.67 52.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.643 0.608 . . . . 99.99 112.643 -173.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -62.54 -46.37 88.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.55 0.69 . . . . 99.99 110.21 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.99 -31.44 66.25 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.388 -1.278 . . . . 99.99 111.272 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.61 HD13 ' SD ' ' A' ' 138' ' ' MET . 10.1 tt -63.58 -52.48 60.81 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 118.72 -0.657 . . . . 99.99 109.794 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 178.84 -19.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.81 1.041 . . . . 99.99 113.81 172.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.58 125.07 35.08 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.273 0.942 . . . . 99.99 111.072 -170.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.453 HE22 ' HB2' ' C' ' 93' ' ' GLN . 3.9 mm-40 -178.58 88.59 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.764 1.625 . . . . 99.99 107.952 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -156.98 -61.8 0.09 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.616 0.767 . . . . 99.99 110.476 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.23 -96.65 2.02 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 111.34 -0.704 . . . . 99.99 111.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.25 142.45 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.331 1.452 . . . . 99.99 112.703 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 155.64 -85.18 0.14 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.284 -0.871 . . . . 99.99 111.905 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 10.6 m -62.39 -26.1 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.424 1.09 . . . . 99.99 112.844 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.88 -34.05 71.2 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.856 0.863 . . . . 99.99 112.18 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -124.48 -44.9 1.96 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.368 0.667 . . . . 99.99 110.366 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.7 t60 70.18 38.37 1.49 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.052 1.341 . . . . 99.99 109.887 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.09 94.21 0.33 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.147 -0.933 . . . . 99.99 110.243 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 67.07 -70.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.353 1.461 . . . . 99.99 110.262 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 C-N-CA 124.682 1.193 . . . . 99.99 110.894 174.258 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 109.859 -0.422 . . . . 99.99 109.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -86.57 -83.79 0.18 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.181 0.592 . . . . 99.99 109.467 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -133.95 119.6 19.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.886 0.874 . . . . 99.99 109.276 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -150.9 139.29 20.4 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.268 -1.753 . . . . 99.99 106.268 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 68.17 -175.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.036 0.934 . . . . 99.99 109.593 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 42.4 t30 63.5 99.35 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.522 1.129 . . . . 99.99 113.454 167.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p 51.0 -76.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.513 1.925 . . . . 99.99 115.16 167.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.2 -33.63 74.92 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.982 0.913 . . . . 99.99 111.26 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.553 ' SD ' ' HB ' ' B' ' 89' ' ' ILE . 26.4 ptm 48.04 -150.02 0.15 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.539 1.536 . . . . 99.99 111.998 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -134.97 131.89 37.72 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.952 -0.758 . . . . 99.99 108.952 167.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -143.91 137.06 27.57 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.916 0.486 . . . . 93.55 109.716 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.542 ' HG2' ' HB3' ' E' ' 64' ' ' ALA . 28.8 tp60 -161.52 128.79 4.03 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.467 0.707 . . . . 99.99 109.777 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -79.01 115.4 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.373 -0.973 . . . . 40.88 108.373 171.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.461 HE22 HG13 ' B' ' 55' ' ' VAL . 40.0 mt-30 -102.02 -34.81 9.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.182 0.593 . . . . 85.25 110.969 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.426 ' NE ' HG21 ' A' ' 122' ' ' THR . 43.2 ttt180 -163.52 141.71 7.76 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.381 0.273 . . . . 95.33 110.406 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 68.1 mt -121.05 136.49 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 124.131 0.972 . . . . 13.6 108.504 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.452 ' HB3' ' HB ' ' A' ' 122' ' ' THR . 22.4 p90 -168.55 153.72 6.39 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 112.724 0.638 . . . . 23.1 112.724 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 91.8 m -79.88 126.11 30.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.157 0.983 . . . . 6.51 109.35 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.25 -37.15 9.39 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.23 0.612 . . . . 19.94 110.932 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' B' ' 79' ' ' GLN . 27.8 t70 -148.0 138.92 23.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.626 -0.715 . . . . 37.8 110.962 -165.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' HB3' ' A' ' 23' ' ' PHE . 41.6 mm -144.64 144.18 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.401 1.48 . . . . 5.14 108.661 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -151.54 125.63 9.24 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.228 0.955 . . . . 19.25 108.629 167.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 91.0 t80 -124.09 136.83 54.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.201 -1.407 . . . . 9.84 107.201 168.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.05 136.83 42.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.414 -0.958 . . . . 50.65 108.414 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' B' ' 28' ' ' ALA . . . -132.91 82.67 54.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 106.842 -1.54 . . . . 18.09 106.842 169.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.05 -22.12 35.8 Favored 'Trans proline' 0 C--N 1.381 2.244 0 C-N-CA 122.431 2.087 . . . . 31.77 111.553 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' B' ' 30' ' ' HIS . 39.5 m-80 -120.5 24.97 10.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.383 1.073 . . . . 49.39 109.905 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' B' ' 25' ' ' ALA . . . -43.04 -51.73 12.68 Favored Pre-proline 0 CA--C 1.572 1.792 0 N-CA-C 114.377 1.251 . . . . 51.5 114.377 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' B' ' 28' ' ' ALA . 5.6 Cg_exo -81.28 -22.47 5.8 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 122.75 2.3 . . . . 70.98 112.67 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' B' ' 27' ' ' ASN . 20.5 t-160 -77.01 -22.74 52.61 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.305 1.042 . . . . 99.99 110.982 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -77.58 -9.53 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 124.718 1.207 . . . . 99.99 111.849 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -61.22 -21.17 63.61 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.777 -0.577 . . . . 99.99 112.338 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.455 ' HG3' ' HG3' ' B' ' 34' ' ' LYS . 10.1 pt20 -85.76 -23.05 27.44 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.762 0.825 . . . . 99.99 111.873 175.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' B' ' 33' ' ' GLN . 93.7 mttt -103.19 106.44 16.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.143 0.977 . . . . 98.87 111.285 -174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.01 90.44 3.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.483 0.713 . . . . 99.99 110.734 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -161.44 177.78 9.76 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.051 0.54 . . . . 99.99 110.962 169.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -77.42 113.67 33.66 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.312 1.045 . . . . 99.99 109.385 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.3 145.79 44.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.536 2.157 . . . . 63.52 113.718 -174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.36 109.36 8.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.338 1.055 . . . . 99.99 109.598 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.92 128.99 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.413 1.085 . . . . 72.1 111.004 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 65' ' ' THR . 11.2 mptt -107.93 146.68 32.05 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.914 1.286 . . . . 99.99 108.417 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' E' ' 7' ' ' ALA . 1.6 pt? -117.81 160.04 22.03 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.223 0.609 . . . . 96.73 110.988 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.04 112.13 1.55 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 114.394 -1.275 . . . . 92.63 107.648 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.93 126.46 46.09 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.647 -1.242 . . . . 67.27 107.647 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -122.54 153.87 38.66 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.914 -0.773 . . . . 58.71 108.914 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.601 HG21 ' HA ' ' E' ' 15' ' ' PHE . 30.7 p -112.97 140.24 47.95 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.485 -0.779 . . . . 66.97 109.759 -168.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.74 137.4 16.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.37 0.668 . . . . 35.64 109.461 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.7 m -144.78 171.06 14.95 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.416 0.686 . . . . 74.75 109.398 171.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -155.66 155.25 32.89 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.396 0.678 . . . . 43.74 109.968 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -95.26 132.43 40.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.871 0.468 . . . . 89.61 110.747 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 29' ' ' PRO . 60.7 mt -101.67 -42.63 6.13 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.318 0.647 . . . . 71.01 109.621 170.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.26 -169.87 2.47 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 115.207 -0.906 . . . . 85.91 110.52 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.79 116.99 12.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.916 -1.038 . . . . 99.99 109.502 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.13 -3.86 1.94 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.428 1.491 . . . . 99.99 113.21 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.461 HG13 HE22 ' B' ' 14' ' ' GLN . 91.5 t -104.54 107.69 23.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 107.394 -1.336 . . . . 76.71 107.394 170.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.442 ' CD1' ' HB ' ' E' ' 18' ' ' VAL . 41.8 m-85 -127.91 140.04 52.24 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.493 -0.929 . . . . 98.07 108.493 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 29' ' ' PRO . 14.7 tm-20 -99.9 113.62 26.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.656 -1.239 . . . . 46.84 107.656 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 81.1 t -105.0 135.05 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.881 0.873 . . . . 57.34 109.639 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.441 ' HA ' ' HA2' ' B' ' 81' ' ' GLY . 4.5 t -123.71 152.31 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.1 1.36 . . . . 21.57 108.878 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.3 tp -130.39 121.78 26.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.802 -0.444 . . . . 62.33 109.802 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 79' ' ' GLN . 14.8 tpp85 -89.64 127.61 35.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.718 0.807 . . . . 95.32 109.595 171.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.97 102.54 13.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 N-CA-C 107.284 -1.376 . . . . 14.84 107.284 171.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 85.2 m -97.96 123.6 42.03 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.607 -0.886 . . . . 28.15 108.607 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.73 135.88 61.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 114.956 -1.02 . . . . 18.14 109.553 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' B' ' 41' ' ' LYS . 97.6 m -122.32 148.33 45.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.417 -0.957 . . . . 24.35 108.417 173.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.44 136.22 25.91 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.526 -0.916 . . . . 26.44 108.526 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.527 ' HA ' ' H ' ' B' ' 73' ' ' ALA . 69.2 p -142.59 136.65 29.41 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 122.815 0.446 . . . . 56.64 110.54 -176.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 23.9 mt -104.24 99.52 9.24 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.934 -1.135 . . . . 62.67 107.934 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.46 -134.69 14.52 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-N 115.509 -0.768 . . . . 81.37 112.675 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.75 -2.7 51.59 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.821 0.848 . . . . 99.99 110.967 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -116.49 142.85 46.33 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.715 -0.616 . . . . 99.99 111.154 -169.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 56.6 m -70.8 122.24 19.51 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.617 0.767 . . . . 33.32 110.492 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.527 ' H ' ' HA ' ' B' ' 67' ' ' SER . . . -76.58 -62.09 1.74 Allowed 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.204 -1.035 . . . . 25.99 108.204 175.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -156.34 160.2 39.47 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.675 -1.148 . . . . 18.76 111.583 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 36.1 mt -119.54 118.56 31.37 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 106.851 -1.537 . . . . 16.93 106.851 169.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' B' ' 117' ' ' MET . 53.9 t -118.59 135.72 54.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.642 -0.874 . . . . 12.76 108.642 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.25 132.25 14.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.985 0.421 . . . . 30.38 110.308 -171.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.73 149.58 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.448 1.099 . . . . 8.91 108.664 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' HB2' ' B' ' 61' ' ' ARG . 1.6 tt0 -133.11 92.97 3.1 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.081 -1.452 . . . . 33.15 107.081 175.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -87.11 113.82 23.18 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.473 -0.785 . . . . 11.26 109.349 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' B' ' 59' ' ' VAL . . . -100.56 170.01 21.83 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 123.683 0.615 . . . . 11.78 112.656 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.86 133.41 3.02 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.982 -0.609 . . . . 23.01 111.789 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.83 127.8 39.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.192 -1.04 . . . . 39.34 108.192 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -136.21 149.8 48.72 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.74 0.816 . . . . 63.88 109.37 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -93.58 90.2 6.56 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 106.533 -1.654 . . . . 82.93 106.533 164.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 tt -137.15 101.6 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-O 120.831 0.348 . . . . 98.2 110.905 -168.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -158.94 173.43 16.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.03 -29.71 9.62 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 114.395 -1.275 . . . . 99.99 112.593 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.553 ' HB ' ' SD ' ' B' ' 9' ' ' MET . 15.8 tt -72.04 142.02 15.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 C-N-CA 123.048 0.539 . . . . 99.99 110.602 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -153.3 174.72 13.95 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.83 0.852 . . . . 99.99 110.632 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.16 -135.0 34.19 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.356 -0.838 . . . . 99.99 113.987 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -68.04 -42.19 80.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.794 1.238 . . . . 99.99 111.796 -173.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.59 65.38 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 115.043 -0.981 . . . . 99.99 110.767 -174.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.429 ' HG3' HG23 ' B' ' 89' ' ' ILE . 21.0 ttt -65.48 -54.18 31.98 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.945 0.898 . . . . 99.99 111.659 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.14 66.56 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.217 0.607 . . . . 99.99 111.614 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -76.21 -52.88 9.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.212 0.605 . . . . 99.99 111.119 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 83.0 m -69.73 -35.45 75.01 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.637 0.375 . . . . 99.99 112.009 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 -42.65 41.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.82 -0.627 . . . . 71.23 110.276 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.74 66.45 Favored Glycine 0 C--N 1.342 0.897 0 N-CA-C 114.849 0.7 . . . . 59.87 114.849 -170.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.4 -59.13 0.93 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.294 0.547 . . . . 71.19 111.668 -172.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -60.04 -56.33 22.94 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 64.9 m -65.69 -40.92 44.32 Favored Pre-proline 0 CA--C 1.567 1.614 0 N-CA-C 112.732 0.641 . . . . 50.37 112.732 -175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -42.82 -43.36 9.03 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 123.213 2.608 . . . . 36.29 115.731 166.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -59.78 -28.38 67.36 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 112.871 0.693 . . . . 87.59 112.871 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -75.62 -41.84 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.918 0.887 . . . . 37.19 110.64 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 75.8 mt -90.2 -11.68 40.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.362 -0.835 . . . . 13.07 111.422 -175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.97 -44.9 52.63 Favored Pre-proline 0 CA--C 1.559 1.31 0 N-CA-C 114.167 1.173 . . . . 99.99 114.167 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.36 -37.93 96.11 Favored 'Trans proline' 0 C--N 1.388 2.624 0 C-N-CA 121.855 1.703 . . . . 10.37 113.265 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -77.9 -38.27 46.05 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.259 -0.882 . . . . 12.29 111.487 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.426 ' O ' HG13 ' B' ' 114' ' ' ILE . . . -61.61 -45.96 91.84 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 109.524 -0.547 . . . . 8.75 109.524 173.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' B' ' 128' ' ' LEU . 8.4 ttp180 -56.01 -53.91 51.23 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.017 1.327 . . . . 59.14 111.127 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.708 ' HG3' HH12 ' A' ' 120' ' ' ARG . 13.0 tp10 -60.85 -36.64 79.66 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.437 1.085 . . . . 51.9 111.55 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.512 ' O ' ' HG2' ' B' ' 117' ' ' MET . 4.6 t -73.89 -34.72 64.52 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.828 -0.169 . . . . 13.3 110.947 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' B' ' 76' ' ' CYS . 45.2 mt -65.23 -51.12 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 123.278 0.631 . . . . 9.86 109.551 175.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 22.9 m -58.35 -36.27 73.21 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.437 -0.801 . . . . 13.13 110.877 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t -65.3 -45.94 82.38 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.098 0.559 . . . . 8.02 110.545 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' B' ' 76' ' ' CYS . 38.2 mmt -60.81 -42.99 98.75 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 122.78 0.432 . . . . 26.78 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 114' ' ' ILE . 66.7 t -62.42 -44.38 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.902 0.881 . . . . 13.3 110.507 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . 0.47 ' HB3' HG21 ' C' ' 115' ' ' THR . 67.9 m -64.8 -35.52 81.36 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.913 0.885 . . . . 29.79 112.366 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.466 ' HD3' ' SG ' ' A' ' 113' ' ' CYS . 88.5 mtt-85 -73.12 -36.47 66.74 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.549 -0.751 . . . . 11.55 110.353 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.25 -3.85 77.49 Favored Glycine 0 C--N 1.355 1.602 0 O-C-N 123.534 0.521 . . . . 16.97 113.053 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.408 ' HA ' ' ND2' ' C' ' 127' ' ' ASN . 29.2 p 65.16 37.64 6.48 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.436 1.894 . . . . 23.15 112.175 173.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -97.66 163.22 20.06 Favored Pre-proline 0 CA--C 1.564 1.501 0 C-N-CA 125.114 1.366 . . . . 23.84 111.087 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.74 149.45 7.44 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 124.076 3.184 . . . . 29.89 115.155 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' C' ' 125' ' ' GLN . 0.0 OUTLIER -63.49 124.37 21.15 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.808 0.843 . . . . 99.99 111.62 -174.055 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.21 86.19 2.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.263 0.625 . . . . 72.13 109.32 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.64 129.88 41.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.548 0.739 . . . . 73.04 109.278 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.752 ' HA ' HD11 ' E' ' 6' ' ' ILE . 23.5 mt -87.41 126.56 34.95 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.444 0.298 . . . . 90.81 110.466 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.63 145.47 41.89 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.876 0.871 . . . . 43.15 111.484 -176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.34 125.95 5.32 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.982 2.455 . . . . 61.27 111.822 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.18 147.4 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 108.591 -0.892 . . . . 99.57 108.591 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.28 77.95 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 108.529 -0.915 . . . . 99.99 108.529 172.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' PHE . . . . . 0.451 ' HZ ' ' H ' ' E' ' 11' ' ' LEU . 23.5 t80 -81.06 -35.45 31.75 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.972 -1.013 . . . . 99.99 111.497 -166.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.97 -43.4 91.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.698 -0.683 . . . . 99.99 110.477 170.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.55 73.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.655 0.782 . . . . 99.99 111.686 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.63 -51.61 66.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.532 0.733 . . . . 99.99 109.405 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.12 -28.85 69.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 99.99 111.674 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.59 -29.44 41.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.795 0.438 . . . . 99.99 110.515 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -19.4 60.22 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.367 0.667 . . . . 99.99 110.312 174.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.91 -42.48 14.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.066 0.46 . . . . 99.99 109.95 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 69.2 mt -91.54 23.68 3.38 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 99.99 110.175 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -78.01 160.0 28.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.545 1.138 . . . . 99.99 110.838 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 67.03 -83.0 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.296 1.438 . . . . 99.99 110.961 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -89.74 78.43 6.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.372 0.606 . . . . 99.99 110.14 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.53 -81.93 0.01 OUTLIER 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.047 1.339 . . . . 99.99 108.099 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.88 -101.37 0.05 OUTLIER Glycine 0 C--N 1.353 1.509 0 O-C-N 123.922 0.764 . . . . 99.99 113.632 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -159.46 137.79 10.52 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 94.35 -145.62 17.77 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.89 -0.394 . . . . 99.99 113.217 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' THR . . . . . . . . . . . . . 47.3 m 78.35 -50.23 0.48 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.972 1.709 . . . . 99.99 111.556 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 58.96 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.06 1.344 . . . . 99.99 110.324 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.0 171.47 12.5 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.727 1.211 . . . . 99.99 109.325 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -72.39 -63.4 1.16 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.214 -0.661 . . . . 99.99 109.214 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -142.5 -76.22 0.27 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 106.066 -1.828 . . . . 99.99 106.066 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.07 4.42 1.19 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.284 1.434 . . . . 99.99 114.76 166.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 C-N-CA 123.965 0.906 . . . . 99.99 109.965 -175.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 109.717 -0.475 . . . . 99.99 109.717 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 76.15 -70.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.822 1.649 . . . . 99.99 111.476 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 59.8 -85.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.235 1.014 . . . . 99.99 111.769 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -167.21 159.92 13.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.893 0.877 . . . . 99.99 108.903 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ASN . . . . . 0.622 ' HB3' ' HB3' ' C' ' 8' ' ' GLU . 56.3 m-20 70.71 -83.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.92 1.288 . . . . 99.99 110.65 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 67.6 -64.06 0.28 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 125.717 1.607 . . . . 99.99 112.025 -178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -82.44 47.54 1.17 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.923 1.289 . . . . 99.99 110.807 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.743 ' HG3' ' SD ' ' C' ' 9' ' ' MET . 12.1 tp10 -156.46 148.58 23.18 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.711 0.805 . . . . 99.99 108.905 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.743 ' SD ' ' HG3' ' C' ' 8' ' ' GLU . 1.9 mpt? 64.91 114.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.869 1.668 . . . . 99.99 110.881 -167.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' C' ' 87' ' ' ALA . 29.8 m -108.12 97.69 7.35 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.871 -0.789 . . . . 99.99 108.871 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' C' ' 85' ' ' SER . 59.4 m-85 -121.92 134.81 54.85 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.833 0.853 . . . . 99.99 110.276 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' C' ' 85' ' ' SER . 54.6 tt0 -145.99 116.55 7.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.482 0.713 . . . . 99.99 110.145 -174.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 129' ' ' ALA . 3.3 mp -82.3 110.4 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.719 -1.215 . . . . 56.3 107.719 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -84.75 -49.71 8.23 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.329 0.651 . . . . 93.16 110.695 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -174.0 159.48 3.32 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.211 -0.904 . . . . 99.99 110.593 174.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 39.3 mt -122.15 138.66 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.365 -1.346 . . . . 11.74 107.365 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.491 ' HE1' HG12 ' C' ' 83' ' ' ILE . 23.1 p90 -172.86 165.75 5.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.21 0.529 . . . . 19.28 110.975 -172.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -86.33 124.63 32.9 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.764 -0.653 . . . . 6.91 110.155 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' HB3' ' D' ' 28' ' ' ALA . 13.8 mmmm -77.77 -48.11 17.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.019 -1.104 . . . . 21.95 108.019 169.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.646 ' HB3' ' HB2' ' C' ' 79' ' ' GLN . 23.6 t70 -136.35 144.78 44.8 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.03 -1.441 . . . . 50.62 109.995 -173.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' D' ' 23' ' ' PHE . 74.4 mt -140.69 143.05 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.142 -1.799 . . . . 5.12 106.142 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -157.59 149.16 21.89 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.469 0.652 . . . . 9.28 110.325 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' C' ' 117' ' ' MET . 89.1 t80 -152.09 120.21 6.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.036 -1.468 . . . . 8.82 107.036 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' C' ' 75' ' ' LEU . 41.3 mt-10 -119.26 118.78 32.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.208 0.603 . . . . 30.58 110.147 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.31 69.5 80.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.228 1.011 . . . . 12.04 108.385 167.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.4 -22.34 12.53 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 121.884 1.722 . . . . 30.41 110.199 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -95.31 10.91 34.46 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 126.036 1.734 . . . . 61.38 109.383 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' D' ' 19' ' ' LYS . . . -47.2 -53.32 28.91 Favored Pre-proline 0 CA--C 1.58 2.098 0 C-N-CA 125.269 1.427 . . . . 26.66 113.837 -174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' C' ' 28' ' ' ALA . 3.2 Cg_exo -71.56 -35.93 7.32 Favored 'Trans proline' 0 C--N 1.397 3.109 0 C-N-CA 122.006 1.804 . . . . 35.22 112.601 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -69.26 -28.75 66.6 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.462 0.705 . . . . 48.75 111.756 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' C' ' 73' ' ' ALA . 94.9 t -78.7 -32.53 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.281 0.633 . . . . 55.24 110.361 171.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.432 ' HZ ' ' HA ' ' E' ' 308' ' ' CYS . 62.7 t80 -66.87 -30.25 70.36 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.353 -0.84 . . . . 99.99 111.649 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -94.8 7.32 46.28 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.44 0.696 . . . . 97.11 111.426 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -117.34 154.51 31.15 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.57 1.148 . . . . 88.6 110.228 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.09 110.35 4.47 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 122.829 0.452 . . . . 99.99 109.896 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' TRP . . . . . 0.425 ' HZ3' ' HA ' ' C' ' 32' ' ' PHE . 0.3 OUTLIER -84.86 83.4 8.06 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.209 1.004 . . . . 99.99 112.038 -174.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -143.34 77.88 15.26 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.267 1.027 . . . . 99.99 108.649 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -99.74 179.36 0.26 Allowed 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.466 2.778 . . . . 68.93 114.404 -175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -87.71 111.17 21.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.912 -1.04 . . . . 99.99 108.374 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 ' HB ' ' E' ' 296' ' ' THR . 85.8 t -87.84 105.49 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.749 -0.834 . . . . 87.15 108.749 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' C' ' 65' ' ' THR . 66.7 mttm -93.61 147.96 22.53 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.473 1.109 . . . . 99.99 110.241 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.655 ' HB3' ' HB ' ' E' ' 288' ' ' VAL . 3.3 tt -126.14 127.76 46.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 106.178 -1.786 . . . . 94.05 106.178 170.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -120.31 141.34 50.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.19 0.996 . . . . 99.99 108.845 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.621 HD21 HD12 ' C' ' 60' ' ' LEU . 6.7 tt -125.79 118.83 26.37 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.069 -1.085 . . . . 71.87 108.069 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' C' ' 61' ' ' ARG . 3.4 m-20 -113.5 154.83 26.41 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.053 0.941 . . . . 92.17 108.497 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -113.15 112.02 23.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.995 -0.742 . . . . 62.96 108.995 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.46 150.97 36.99 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.224 1.009 . . . . 35.73 108.833 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 30.3 p -165.61 163.15 19.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.88 0.371 . . . . 56.22 111.926 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 87.7 p -157.37 134.51 10.29 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.308 -0.86 . . . . 43.42 110.048 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -84.9 120.5 26.55 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.503 -0.925 . . . . 99.99 108.503 171.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.703 HD11 HD12 ' C' ' 83' ' ' ILE . 52.7 mt -89.14 -35.87 16.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.417 0.687 . . . . 61.44 110.337 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -163.26 -175.44 4.28 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.198 0.999 . . . . 94.06 109.982 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.04 116.24 5.7 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.356 -0.838 . . . . 99.99 109.259 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.09 19.85 11.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.291 1.036 . . . . 99.99 111.945 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.83 113.01 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 107.225 -1.398 . . . . 81.86 107.225 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' C' ' 86' ' ' ILE . 63.6 m-85 -130.93 166.6 20.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.634 -0.712 . . . . 99.99 110.048 -172.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -127.46 121.4 30.69 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.923 -1.035 . . . . 35.21 109.579 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' VAL . . . . . 0.799 HG22 ' HB2' ' E' ' 145' ' ' ASP . 16.1 t -96.66 125.22 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 107.214 -1.402 . . . . 29.6 107.214 172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . 0.448 HG22 ' HA2' ' C' ' 81' ' ' GLY . 60.8 t -126.47 116.95 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.502 0.721 . . . . 20.9 109.281 175.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.621 HD12 HD21 ' C' ' 44' ' ' LEU . 3.7 mm? -101.32 115.32 30.22 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.748 -0.834 . . . . 69.19 108.748 171.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HB2' ' C' ' 45' ' ' ASP . 18.8 ttm180 -83.53 121.6 27.44 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.587 -0.733 . . . . 99.99 109.721 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.45 116.82 52.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 107.37 -1.344 . . . . 14.53 107.37 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' THR . . . . . . . . . . . . . 24.9 m -121.74 119.86 32.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.462 0.648 . . . . 20.42 109.502 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 49.1 t -100.97 134.28 41.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.292 -1.003 . . . . 17.7 108.292 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' C' ' 41' ' ' LYS . 15.7 m -130.45 149.17 52.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.54 -0.911 . . . . 29.53 108.54 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.62 124.02 23.37 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.767 -1.568 . . . . 32.22 106.767 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -149.99 149.23 30.07 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.18 0.437 . . . . 59.66 112.18 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' C' ' 71' ' ' GLU . 3.3 mm? -101.18 28.41 5.39 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.291 1.436 . . . . 97.29 109.054 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.54 -104.89 1.02 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 109.817 -1.313 . . . . 76.35 109.817 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.38 -22.21 21.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.286 0.634 . . . . 99.99 109.59 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' C' ' 68' ' ' LEU . 4.0 tp10 -69.02 93.12 0.55 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.667 1.187 . . . . 77.02 110.607 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -71.55 123.13 21.78 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.01 0.433 . . . . 37.0 110.475 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' C' ' 31' ' ' VAL . . . -78.67 -46.7 18.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.166 -0.925 . . . . 34.06 109.035 172.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -169.24 170.41 8.62 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.849 0.86 . . . . 39.96 109.837 167.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.448 HD13 ' N ' ' C' ' 76' ' ' CYS . 2.2 tm? -133.32 146.87 51.72 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 106.81 -1.552 . . . . 16.54 106.81 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . 0.448 ' N ' HD13 ' C' ' 75' ' ' LEU . 42.3 t -151.51 116.97 5.35 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.3 -1.0 . . . . 10.97 108.3 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -131.45 117.23 18.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.749 0.42 . . . . 36.61 110.392 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -118.47 137.95 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.517 0.727 . . . . 9.25 109.096 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' C' ' 20' ' ' ASP . 51.0 mt-30 -117.57 103.67 10.29 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.034 0.933 . . . . 25.23 108.66 171.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -89.88 118.55 29.54 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.78 -0.645 . . . . 10.64 110.095 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' C' ' 59' ' ' VAL . . . -97.42 151.47 19.77 Favored Glycine 0 C--N 1.341 0.848 0 O-C-N 123.806 0.691 . . . . 10.6 112.482 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.57 120.33 1.33 Allowed Glycine 0 C--N 1.334 0.422 0 N-CA-C 110.879 -0.888 . . . . 19.17 110.879 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . 0.703 HD12 HD11 ' C' ' 51' ' ' LEU . 19.1 mm -87.84 120.96 37.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 N-CA-C 109.202 -0.666 . . . . 30.38 109.202 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.23 124.73 26.43 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 107.5 -1.296 . . . . 49.62 107.5 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' C' ' 12' ' ' GLN . 40.2 m -73.73 110.97 8.44 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.692 -1.225 . . . . 92.15 107.692 167.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' C' ' 56' ' ' TYR . 59.0 mt -115.57 121.99 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.112 0.965 . . . . 99.99 111.02 -165.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' C' ' 10' ' ' THR . . . -158.71 146.62 18.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.319 1.048 . . . . 99.99 109.366 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' C' ' 9' ' ' MET . . . 104.65 96.9 2.44 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.877 -0.489 . . . . 99.99 111.877 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' E' ' 277' ' ' LEU . 12.3 tt -66.57 119.57 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 123.817 0.847 . . . . 99.99 111.244 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -100.1 -3.68 31.38 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.236 0.614 . . . . 99.99 110.673 176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.92 -116.55 4.63 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.012 0.339 . . . . 99.99 113.203 176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 63.0 p -71.69 -30.16 65.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.836 0.454 . . . . 99.99 110.805 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . 0.453 ' HB2' HE22 ' A' ' 144' ' ' GLN . 25.1 tp60 -58.96 -55.91 29.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.067 0.947 . . . . 99.99 110.48 175.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' C' ' 89' ' ' ILE . 21.3 ptm -66.3 -25.01 66.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.423 0.452 . . . . 99.99 112.091 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.45 -51.95 63.51 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.173 0.589 . . . . 99.99 110.886 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -82.33 -16.97 47.37 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.461 -0.336 . . . . 99.99 110.975 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' C' ' 101' ' ' TYR . 95.6 m -66.08 -32.77 74.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.37 0.268 . . . . 99.99 110.611 170.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' LEU . . . . . 0.686 ' HA ' ' SG ' ' C' ' 102' ' ' CYS . 9.0 tt -69.91 -51.13 35.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.697 0.284 . . . . 99.99 110.321 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.58 -30.54 64.09 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.48 -0.782 . . . . 68.51 113.231 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -119.03 -45.71 2.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.969 0.729 . . . . 56.52 112.969 -167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' C' ' 97' ' ' CYS . 2.3 m-85 -75.14 -44.53 46.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' C' ' 98' ' ' LEU . 56.5 m -59.03 -45.66 99.53 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 112.576 0.584 . . . . 56.59 112.576 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' PRO . . . . . 0.422 ' HB3' ' HG ' ' C' ' 60' ' ' LEU . 11.7 Cg_endo -57.16 -36.11 99.06 Favored 'Trans proline' 0 C--N 1.394 2.938 0 C-N-CA 121.639 1.559 . . . . 39.21 112.734 172.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -58.94 -27.76 65.61 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.354 0.872 . . . . 71.72 113.354 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.28 -51.4 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-O 121.389 0.614 . . . . 8.71 109.721 169.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . 0.498 HD12 HD23 ' C' ' 60' ' ' LEU . 74.3 mt -77.83 -15.61 58.93 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.636 -1.165 . . . . 37.06 111.711 -169.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' C' ' 108' ' ' PRO . 36.3 t80 -70.37 -49.48 16.76 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.466 1.106 . . . . 16.74 113.025 -167.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 107' ' ' PHE . 32.5 Cg_exo -62.19 -39.28 49.45 Favored 'Trans proline' 0 C--N 1.382 2.33 0 C-N-CA 121.652 1.568 . . . . 9.85 112.647 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -66.23 -46.08 78.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.461 0.704 . . . . 5.88 111.047 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.89 87.91 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.505 -0.771 . . . . 7.64 110.863 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -62.83 -57.34 11.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 114.744 -1.116 . . . . 20.64 110.54 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -29.16 70.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 123.486 0.491 . . . . 38.86 110.403 -177.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.431 ' SG ' HG12 ' C' ' 21' ' ' ILE . 34.1 t -65.35 -42.23 93.06 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.689 0.396 . . . . 13.9 111.217 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.21 -46.37 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.573 0.749 . . . . 8.58 110.443 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' THR . . . . . 0.476 HG23 HE21 ' C' ' 125' ' ' GLN . 30.8 m -63.4 -35.87 81.84 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.404 1.082 . . . . 8.54 111.335 -173.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' C' ' 120' ' ' ARG . 35.2 t -68.98 -51.1 43.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.241 -0.89 . . . . 6.56 109.132 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' MET . . . . . 0.569 ' HE3' HD13 ' D' ' 21' ' ' ILE . 0.0 OUTLIER -54.96 -44.98 74.84 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.577 1.151 . . . . 5.22 112.974 -177.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.9 -38.86 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 123.038 0.211 . . . . 28.53 111.045 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 33.3 t -74.57 -24.57 58.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.104 0.562 . . . . 17.6 111.289 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' C' ' 116' ' ' SER . 92.1 mtt-85 -68.24 -31.96 71.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.166 0.586 . . . . 7.72 109.891 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.01 11.78 61.67 Favored Glycine 0 C--N 1.355 1.596 0 O-C-N 123.981 0.801 . . . . 10.8 112.98 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 17' ' ' TYR . 43.4 p 58.58 34.93 24.24 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.244 1.818 . . . . 15.17 112.748 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -109.83 156.56 39.64 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 124.213 1.005 . . . . 24.81 110.418 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' PRO . . . . . 0.658 ' HG2' ' HA ' ' E' ' 297' ' ' TYR . 26.2 Cg_exo -41.11 140.43 1.29 Allowed 'Trans proline' 0 C--N 1.389 2.708 1 C-N-CA 125.308 4.006 . . . . 29.42 117.244 -177.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . 0.476 HE21 HG23 ' C' ' 115' ' ' THR . 0.6 OUTLIER -61.68 112.97 2.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.058 -1.428 . . . . 72.03 109.597 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' LEU . . . . . 0.411 HD11 ' CH2' ' E' ' 290' ' ' TRP . 51.3 tp -109.86 126.73 54.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.735 0.414 . . . . 59.85 110.443 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' B' ' 122' ' ' THR . 65.6 m-20 -117.12 130.81 56.88 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.821 0.848 . . . . 41.85 109.852 173.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.34 125.15 31.34 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.442 -0.947 . . . . 38.57 108.442 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.79 146.86 69.66 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 123.872 0.869 . . . . 24.62 112.06 -171.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.51 103.22 0.18 Allowed 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.284 2.656 . . . . 24.48 111.813 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 6.3 p -114.6 128.46 71.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.665 0.786 . . . . 68.05 110.713 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.41 94.51 9.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.029 -1.1 . . . . 99.99 108.029 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -58.18 -41.35 83.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.228 1.011 . . . . 99.99 112.926 -167.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.64 -33.77 76.35 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.378 0.424 . . . . 99.99 111.515 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.79 80.13 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.139 0.576 . . . . 99.99 110.895 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.31 -38.32 89.83 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.783 -0.644 . . . . 99.99 111.147 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 137' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -68.13 -36.53 79.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.968 0.907 . . . . 99.99 110.534 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -64.63 -42.91 95.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.133 0.973 . . . . 99.99 110.063 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.46 -37.42 77.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.703 -1.135 . . . . 99.99 111.219 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.63 -83.12 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.581 1.153 . . . . 99.99 110.333 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 49.6 tp 73.16 -62.78 0.46 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.389 1.476 . . . . 99.99 111.394 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.43 80.89 0.06 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.423 1.089 . . . . 99.99 111.59 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.27 -40.87 62.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.587 1.555 . . . . 99.99 111.677 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' C' ' 147' ' ' GLU . 22.8 mp0 -77.55 13.65 1.21 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.096 -0.956 . . . . 99.99 112.098 -170.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 68.55 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.061 1.344 . . . . 99.99 110.671 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.43 -65.57 1.62 Allowed Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.43 -0.668 . . . . 99.99 111.43 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' GLU . . . . . 0.46 ' HB2' ' HB2' ' C' ' 144' ' ' GLN . 0.9 OUTLIER 70.73 -75.2 0.08 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.518 1.527 . . . . 99.99 110.652 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.85 11.1 0.84 Allowed Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.871 -0.891 . . . . 99.99 110.871 -169.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' THR . . . . . . . . . . . . . 13.3 t -77.46 -149.36 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.48 1.112 . . . . 99.99 109.917 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 62.96 -94.71 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 108.245 -1.021 . . . . 99.99 108.245 -174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 151' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' C' ' 153' ' ' GLN . 21.9 tt0 44.64 -73.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 126.907 2.083 . . . . 99.99 115.14 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 152' ' ' HIS . . . . . . . . . . . . . 75.0 m80 78.7 6.59 2.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 126.186 1.795 . . . . 99.99 112.219 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 153' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' C' ' 151' ' ' GLU . 8.8 tp-100 68.07 -67.03 0.2 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.91 1.284 . . . . 99.99 111.866 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 24.1 t70 74.77 136.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.103 1.361 . . . . 99.99 111.245 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.756 0.822 . . . . 99.99 110.949 -178.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' D' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.468 -0.567 . . . . 99.99 109.468 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -73.07 84.53 1.3 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.73 0.812 . . . . 99.99 109.817 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -117.11 -55.04 2.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.405 1.082 . . . . 99.99 109.286 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -82.52 156.64 23.91 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.575 -0.898 . . . . 99.99 108.575 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.39 27.85 0.9 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.199 0.6 . . . . 99.99 110.715 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -149.97 122.56 8.57 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 125.662 1.585 . . . . 99.99 106.809 -178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.456 HG21 ' H ' ' E' ' 88' ' ' GLU . 6.9 m -62.68 -59.21 5.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 99.99 110.616 -174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.589 ' HG2' ' H ' ' D' ' 9' ' ' MET . 28.9 tt0 172.79 -148.06 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 105.721 -1.955 . . . . 99.99 105.721 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' MET . . . . . 0.589 ' H ' ' HG2' ' D' ' 8' ' ' GLU . 23.6 ttt -30.52 134.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.066 1.346 . . . . 99.99 113.023 159.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t -105.34 157.83 17.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 120.921 0.391 . . . . 99.99 110.36 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -161.39 128.72 4.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.255 -1.017 . . . . 76.43 108.255 -174.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.76 144.44 37.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.324 0.649 . . . . 99.99 110.198 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.434 HD13 HG21 ' D' ' 105' ' ' ILE . 18.3 mt -92.27 116.8 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 114.817 -1.083 . . . . 41.34 108.815 177.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -94.34 -40.08 10.14 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.321 0.649 . . . . 79.46 110.669 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -167.76 140.34 3.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.476 -0.783 . . . . 99.99 109.782 -172.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 pp -126.8 145.47 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.109 0.964 . . . . 53.22 108.939 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.401 ' HB3' HG23 ' C' ' 122' ' ' THR . 16.2 p90 -167.94 145.26 4.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.395 0.678 . . . . 19.87 111.124 -177.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -76.97 119.08 20.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.847 -0.615 . . . . 8.43 109.45 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' C' ' 28' ' ' ALA . 38.3 mtpt -92.61 -12.01 32.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.47 0.308 . . . . 36.9 111.136 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' D' ' 79' ' ' GLN . 20.9 t70 -162.6 140.79 8.54 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.624 -0.717 . . . . 36.68 109.888 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.569 HD13 ' HE3' ' C' ' 117' ' ' MET . 66.7 mt -142.84 140.34 27.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.617 -1.623 . . . . 4.02 106.617 174.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -158.27 104.57 1.86 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.487 0.715 . . . . 7.64 109.531 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' C' ' 21' ' ' ILE . 63.4 t80 -107.89 114.15 27.87 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 105.975 -1.861 . . . . 5.08 105.975 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.8 115.37 22.53 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.204 0.602 . . . . 28.73 109.626 -175.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' D' ' 28' ' ' ALA . . . -117.83 80.61 14.46 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 108.725 -0.842 . . . . 7.19 108.725 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -75.55 -27.99 8.68 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.468 2.112 . . . . 13.41 112.175 -173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -114.66 20.23 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.947 0.899 . . . . 11.97 110.185 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.84 ' HB2' ' HB1' ' D' ' 25' ' ' ALA . . . -51.74 -56.78 18.15 Favored Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 114.108 1.151 . . . . 12.01 114.108 -171.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' PRO . . . . . 0.532 ' HD3' ' HE3' ' C' ' 19' ' ' LYS . 92.5 Cg_endo -76.43 -17.06 16.79 Favored 'Trans proline' 0 C--N 1.382 2.336 0 CA-C-N 121.423 1.544 . . . . 20.55 113.177 -177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.57 -47.45 54.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.587 1.155 . . . . 22.26 109.953 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' D' ' 73' ' ' ALA . 36.0 m -83.24 -6.5 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.865 0.691 . . . . 34.6 112.865 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' D' ' 29' ' ' PRO . 13.2 m-85 -68.97 -13.97 62.77 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 112.338 0.495 . . . . 32.96 112.338 176.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.53 -30.57 71.34 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.319 0.58 . . . . 99.99 109.777 169.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -89.99 81.97 6.19 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.684 1.194 . . . . 31.63 109.131 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.0 86.02 7.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.811 -0.631 . . . . 99.99 110.066 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.42 -177.96 6.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.374 1.07 . . . . 49.29 109.488 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.62 116.12 53.81 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.298 0.639 . . . . 99.99 109.43 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 152.32 82.35 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 123.053 2.502 . . . . 31.29 112.545 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' D' ' 66' ' ' ALA . 62.1 mm-40 -63.85 111.25 2.38 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.06 -0.719 . . . . 99.99 109.06 170.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 64' ' ' VAL . 91.9 t -98.71 105.4 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.201 -1.037 . . . . 52.79 108.201 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' D' ' 65' ' ' THR . 61.6 tttm -94.45 113.33 25.17 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.339 -0.985 . . . . 99.99 108.339 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.4 HD11 HG13 ' D' ' 62' ' ' VAL . 47.2 tp -97.35 113.01 24.59 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.087 0.47 . . . . 74.77 109.787 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.76 133.17 53.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.467 1.107 . . . . 99.99 108.304 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -117.0 153.07 33.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.276 -0.639 . . . . 66.01 109.276 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ASP . . . . . 0.405 ' HB3' ' HD2' ' D' ' 61' ' ' ARG . 13.7 t70 -159.26 156.11 28.2 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.857 1.263 . . . . 79.72 108.053 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -147.36 144.14 28.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.012 0.434 . . . . 77.52 110.011 170.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.9 139.99 23.05 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 107.546 -1.279 . . . . 38.8 107.546 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' D' ' 58' ' ' VAL . 2.6 p -174.25 179.57 1.82 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.259 0.224 . . . . 48.36 111.483 -165.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 66.0 p -164.37 156.39 16.4 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.703 0.801 . . . . 52.73 110.498 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.6 114.99 20.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.751 -1.203 . . . . 99.71 107.751 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.99 13.55 10.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.202 0.601 . . . . 82.32 110.181 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.69 174.42 13.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.516 0.726 . . . . 96.95 111.28 -169.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' E' ' 313' ' ' GLN . 17.1 t70 -99.94 106.94 18.79 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.005 0.522 . . . . 99.99 109.607 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.466 ' HA ' HD11 ' E' ' 100' ' ' LEU . 1.7 m-20 67.86 9.08 6.88 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 125.268 1.427 . . . . 99.99 111.849 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' D' ' 85' ' ' SER . 61.7 t -128.82 143.48 41.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.404 -1.332 . . . . 82.8 107.404 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -134.7 163.59 29.42 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.879 0.871 . . . . 99.99 109.029 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.94 116.39 29.91 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.17 -1.419 . . . . 55.89 107.17 164.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' D' ' 48' ' ' SER . 8.1 p -107.8 134.75 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.642 -0.873 . . . . 44.56 108.642 172.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' VAL . . . . . 0.495 ' HA ' ' HA2' ' D' ' 81' ' ' GLY . 21.7 t -119.72 108.53 23.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.793 -0.817 . . . . 19.48 108.793 -176.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.37 119.96 33.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.377 -0.601 . . . . 52.2 109.377 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' HB3' ' D' ' 45' ' ' ASP . 18.6 ttm-85 -92.95 114.17 26.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.069 0.947 . . . . 99.99 110.009 174.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.4 HG13 HD11 ' D' ' 42' ' ' LEU . 52.2 t -92.91 130.78 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.216 -1.401 . . . . 9.25 107.216 162.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -127.7 130.15 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.502 0.668 . . . . 10.79 109.399 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' VAL . . . . . 0.502 HG13 HG13 ' D' ' 40' ' ' VAL . 63.6 t -114.97 130.73 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.534 -1.212 . . . . 9.72 108.191 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' D' ' 41' ' ' LYS . 24.9 m -126.19 96.04 4.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.785 -1.191 . . . . 19.36 107.785 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' D' ' 39' ' ' GLU . . . -95.92 143.52 27.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.754 -0.657 . . . . 11.33 109.713 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.491 ' HA ' ' H ' ' D' ' 73' ' ' ALA . 72.0 p -145.99 126.64 14.26 Favored 'General case' 0 C--N 1.342 0.24 0 O-C-N 123.589 0.556 . . . . 29.87 110.831 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.03 114.2 26.33 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.775 -1.194 . . . . 24.97 107.775 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.33 -116.69 4.8 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.714 -0.675 . . . . 27.84 112.102 -173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.41 4.4 22.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.715 0.806 . . . . 76.3 110.675 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.92 144.89 45.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.455 0.702 . . . . 81.89 110.479 -165.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 32.7 m -56.7 125.96 24.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.741 1.217 . . . . 11.35 112.202 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' D' ' 31' ' ' VAL . . . -85.08 -64.88 1.08 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.385 -0.969 . . . . 10.67 108.385 176.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -151.16 167.83 26.54 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.942 -1.026 . . . . 7.73 109.87 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 55.9 mt -125.76 149.23 48.73 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 106.309 -1.737 . . . . 11.05 106.309 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 76' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' D' ' 114' ' ' ILE . 17.9 t -157.35 109.1 2.36 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.966 -0.383 . . . . 12.97 109.966 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 77' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -132.33 123.77 27.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.671 0.788 . . . . 47.96 109.708 -171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . . 94.6 t -131.61 115.17 27.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 123.558 0.743 . . . . 5.05 109.703 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' D' ' 20' ' ' ASP . 50.7 mt-30 -90.25 91.61 8.58 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.27 0.628 . . . . 21.68 109.356 170.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' GLN . . . . . 0.422 ' O ' HD13 ' D' ' 106' ' ' LEU . 7.6 tp-100 -82.97 112.65 19.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.967 0.907 . . . . 8.01 109.049 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' D' ' 59' ' ' VAL . . . -101.8 163.28 17.37 Favored Glycine 0 N--CA 1.468 0.798 0 N-CA-C 112.443 -0.263 . . . . 11.29 112.443 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.63 143.2 8.62 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 122.013 -0.137 . . . . 22.6 113.308 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.438 HG21 HD21 ' E' ' 311' ' ' ASN . 48.3 mt -93.3 115.84 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.377 1.071 . . . . 43.57 108.755 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -131.23 139.56 49.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.371 0.668 . . . . 45.01 109.951 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' SER . . . . . 0.461 ' HB3' HG22 ' D' ' 55' ' ' VAL . 7.1 p -106.4 131.63 53.38 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.837 0.855 . . . . 77.58 110.335 176.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.457 HG13 HD11 ' E' ' 97' ' ' ILE . 42.4 pt -130.51 143.72 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.809 0.844 . . . . 88.57 109.431 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.29 35.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.323 0.649 . . . . 99.99 110.693 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.62 19.92 64.98 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-N 115.454 -0.794 . . . . 99.99 112.972 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 89' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 94' ' ' MET . 1.1 pp -140.53 152.37 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.681 1.192 . . . . 99.99 110.211 -177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -143.19 170.77 15.11 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.065 0.946 . . . . 99.99 110.959 -172.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.12 -141.64 29.39 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-N 115.881 -0.599 . . . . 99.99 113.792 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 32.4 m -90.62 -29.24 17.89 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.579 0.751 . . . . 99.99 110.478 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.91 -37.0 68.31 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.93 1.292 . . . . 99.99 111.948 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 94' ' ' MET . . . . . 0.675 ' HB2' HD13 ' D' ' 89' ' ' ILE . 24.8 ptt? -56.73 -46.07 81.56 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.361 -0.836 . . . . 99.99 111.586 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.99 -10.88 52.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.58 1.152 . . . . 88.9 112.278 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -56.86 -37.0 70.71 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 122.113 -0.367 . . . . 99.99 111.125 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 97' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.09 -37.11 85.89 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 112.715 0.635 . . . . 95.17 112.715 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.42 -18.56 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 111.643 0.238 . . . . 99.99 111.643 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 99' ' ' GLY . . . . . . . . . . . . . . . -96.6 -3.37 59.66 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.924 -0.376 . . . . 66.02 113.144 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 100' ' ' ALA . . . . . . . . . . . . . . . -130.97 -71.57 0.57 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.29 0.545 . . . . 54.11 112.009 -171.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.73 -42.37 58.41 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.349 0.66 . . . . 40.76 112.09 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 102' ' ' CYS . . . . . . . . . . . . . 20.7 m -67.19 -41.86 36.59 Favored Pre-proline 0 CA--C 1.561 1.379 0 CA-C-O 118.846 -0.597 . . . . 34.31 112.553 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 103' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -53.69 -34.85 75.9 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 122.467 2.111 . . . . 28.69 113.969 165.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 104' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -72.45 -24.56 61.22 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.585 0.754 . . . . 61.29 110.996 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 105' ' ' ILE . . . . . 0.434 HG21 HD13 ' D' ' 13' ' ' ILE . 40.0 mm -72.61 -42.52 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-O 121.266 0.555 . . . . 19.65 110.084 169.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.422 HD13 ' O ' ' D' ' 80' ' ' GLN . 92.1 mt -70.93 -23.25 62.21 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.276 -0.875 . . . . 13.09 111.451 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 107' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -68.05 -41.35 26.53 Favored Pre-proline 0 CA--C 1.563 1.47 0 N-CA-C 113.786 1.032 . . . . 10.47 113.786 -171.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' D' ' 105' ' ' ILE . 71.9 Cg_exo -50.45 -45.02 36.58 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.508 2.139 . . . . 6.22 115.098 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 109' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -75.87 -31.5 59.29 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.792 0.437 . . . . 10.48 111.641 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.89 73.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.981 0.512 . . . . 4.16 110.283 174.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 111' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' D' ' 128' ' ' LEU . 25.0 ttp-105 -61.35 -53.89 50.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.068 0.947 . . . . 10.22 109.935 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.58 -39.01 89.64 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.876 1.36 . . . . 32.24 110.495 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 113' ' ' CYS . . . . . . . . . . . . . 42.2 t -62.5 -47.36 84.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.533 0.521 . . . . 3.39 111.399 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 114' ' ' ILE . . . . . 0.717 HG23 ' SG ' ' D' ' 76' ' ' CYS . 43.9 mt -62.71 -45.34 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.294 0.638 . . . . 5.37 110.668 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 115' ' ' THR . . . . . . . . . . . . . 85.9 m -54.72 -47.34 73.89 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 7.06 110.507 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 116' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' D' ' 120' ' ' ARG . 37.4 t -65.55 -33.79 76.75 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.239 -1.346 . . . . 6.71 111.296 -175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 117' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' D' ' 114' ' ' ILE . 77.4 mtm -80.83 -39.22 26.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.205 0.602 . . . . 5.08 112.328 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.25 -39.16 82.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 C-N-CA 123.289 0.635 . . . . 5.65 110.429 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 119' ' ' SER . . . . . . . . . . . . . 97.8 p -66.56 -33.83 76.55 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.337 -0.847 . . . . 10.21 110.517 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 120' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' D' ' 116' ' ' SER . 57.0 mtt-85 -65.08 -45.42 85.35 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.429 0.692 . . . . 6.99 109.705 170.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 121' ' ' GLY . . . . . . . . . . . . . . . -67.38 -6.6 41.72 Favored Glycine 0 C--N 1.357 1.738 0 O-C-N 124.113 0.883 . . . . 7.43 114.193 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 122' ' ' THR . . . . . 0.52 HG23 ' HE1' ' E' ' 131' ' ' TRP . 17.1 m 68.93 27.22 5.57 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.702 1.201 . . . . 18.26 111.252 173.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 123' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.69 158.68 31.7 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 108.496 -0.927 . . . . 10.7 108.496 168.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -48.71 131.87 25.02 Favored 'Trans proline' 0 C--N 1.383 2.395 0 C-N-CA 122.967 2.444 . . . . 20.06 113.559 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -49.45 124.95 10.2 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 124.608 1.163 . . . . 16.85 111.607 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -111.67 99.3 8.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.396 -0.82 . . . . 14.84 110.523 -175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 127' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.27 111.01 23.27 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.961 -1.125 . . . . 76.73 107.961 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.476 ' O ' ' HD3' ' D' ' 111' ' ' ARG . 1.5 mm? -67.53 114.7 6.4 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.407 1.083 . . . . 20.32 109.158 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' E' ' 124' ' ' SER . . . -64.28 123.04 81.26 Favored Pre-proline 0 N--CA 1.48 1.035 0 C-N-CA 122.61 0.364 . . . . 28.37 111.445 -176.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 130' ' ' PRO . . . . . 0.449 ' HB3' HH12 ' D' ' 111' ' ' ARG . 66.5 Cg_endo -72.02 125.0 10.53 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.377 2.052 . . . . 32.68 112.003 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 131' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.08 150.9 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.007 0.923 . . . . 69.78 109.51 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -68.69 118.46 11.72 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.567 0.747 . . . . 99.99 110.321 176.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.55 -23.35 64.54 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.821 0.848 . . . . 99.99 112.702 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -40.94 63.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.851 1.26 . . . . 99.99 111.537 173.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.25 67.68 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.055 -0.975 . . . . 99.99 111.559 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.42 -25.28 50.59 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.279 0.632 . . . . 99.99 110.698 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 137' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -71.76 -33.24 68.48 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.433 -0.348 . . . . 99.99 110.12 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 138' ' ' MET . . . . . . . . . . . . . 35.0 mtt -67.63 -32.91 73.94 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.295 0.638 . . . . 99.99 110.324 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -65.19 -28.01 69.09 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.973 0.909 . . . . 99.99 111.66 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 140' ' ' TYR . . . . . 0.528 ' HD1' ' HA ' ' E' ' 115' ' ' THR . 69.8 t80 -84.44 -47.33 10.76 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.588 -0.523 . . . . 99.99 109.588 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -49.77 -27.04 4.42 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 126.211 1.805 . . . . 99.99 113.741 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -73.81 49.12 0.31 Allowed 'General case' 0 CA--C 1.57 1.713 0 C-N-CA 124.314 1.046 . . . . 99.99 112.665 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.9 92.67 4.02 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.235 1.017 . . . . 99.99 110.06 -173.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 144' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -139.13 -96.44 0.17 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 118.587 -0.72 . . . . 99.99 110.73 -168.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 145' ' ' ALA . . . . . . . . . . . . . . . 53.35 62.33 2.7 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.535 0.683 . . . . 99.99 110.042 -169.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.47 -124.52 8.03 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 114.944 -1.025 . . . . 99.99 110.773 -169.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 60.08 24.05 13.29 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 125.175 1.39 . . . . 99.99 113.071 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 148' ' ' GLY . . . . . . . . . . . . . . . 82.45 -60.12 4.86 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.741 -0.209 . . . . 99.99 112.761 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 149' ' ' THR . . . . . . . . . . . . . 8.2 m -58.91 -33.4 70.5 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.562 1.145 . . . . 99.99 112.455 -174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 150' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -109.55 -18.72 13.44 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.401 0.68 . . . . 99.99 111.122 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' D' ' 153' ' ' GLN . 9.9 tp10 -60.08 -53.17 60.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.23 0.612 . . . . 99.99 110.239 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 152' ' ' HIS . . . . . . . . . . . . . 33.1 m80 55.37 37.26 28.64 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.068 0.947 . . . . 99.99 110.765 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 153' ' ' GLN . . . . . 0.471 ' HB2' ' HG3' ' D' ' 151' ' ' GLU . 27.8 tt0 -60.34 -47.17 87.2 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.604 0.761 . . . . 99.99 111.809 -168.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -112.06 -42.68 3.7 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 99.99 108.774 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 155' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.756 -1.111 . . . . 99.99 108.511 -175.172 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' E' ' 10' ' ' LEU . 17.9 tpt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 110.428 -0.212 . . . . 99.99 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 59.5 mttp 63.87 69.56 0.54 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.571 1.148 . . . . 99.99 110.838 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -72.75 82.02 1.15 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.259 -0.882 . . . . 99.99 110.31 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' SER . . . . . 0.41 ' HB3' HG22 ' E' ' 6' ' ' ILE . 33.8 t -95.59 162.33 13.67 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.521 -0.763 . . . . 99.99 109.242 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -83.27 63.36 7.18 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 122.277 1.037 . . . . 99.99 109.253 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.752 HD11 ' HA ' ' B' ' 128' ' ' LEU . 11.2 tp -153.53 156.61 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.858 1.263 . . . . 99.99 108.39 -173.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . 0.612 ' HA ' ' HB3' ' B' ' 42' ' ' LEU . . . -92.63 29.64 1.71 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.251 0.463 . . . . 99.99 112.251 -178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -148.14 104.66 3.56 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.84 -1.17 . . . . 99.99 107.84 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . 0.426 ' HB3' HD11 ' B' ' 42' ' ' LEU . . . -132.49 -66.36 0.69 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.686 0.794 . . . . 99.99 109.13 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.605 ' HB3' ' SD ' ' E' ' 1' ' ' MET . 36.2 tp -156.77 136.49 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.886 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' LEU . . . . . 0.451 ' H ' ' HZ ' ' B' ' 133' ' ' PHE . 18.2 tp -74.42 156.42 87.15 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.153 1.381 . . . . 99.99 108.867 173.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -47.25 -3.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.276 2.651 . . . . 99.99 116.739 162.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 28.3 tp 77.6 5.02 3.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 125.12 1.368 . . . . 99.99 110.737 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.35 126.92 25.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 106.334 -1.728 . . . . 99.99 106.334 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' PHE . . . . . 0.601 ' HA ' HG21 ' B' ' 46' ' ' THR . 26.6 t80 -116.3 154.25 30.51 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.656 -0.868 . . . . 99.99 108.656 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' THR . . . . . . . . . . . . . 43.5 m -54.96 112.72 4.39 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.777 0.831 . . . . 99.99 110.752 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.21 133.03 31.49 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.795 2.33 . . . . 99.99 112.553 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' B' ' 56' ' ' TYR . 3.5 m -59.11 -30.62 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 123.581 0.551 . . . . 99.99 111.46 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -127.01 -76.5 0.58 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.365 0.666 . . . . 99.99 109.398 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -166.44 140.1 4.06 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.308 0.643 . . . . 99.99 110.5 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 -0.42 9.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.38 1.072 . . . . 99.99 111.522 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -103.65 174.17 5.99 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.961 0.904 . . . . 99.99 110.574 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -72.2 136.27 81.87 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 110.083 -0.34 . . . . 99.99 110.083 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.29 145.99 97.82 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.799 2.332 . . . . 99.99 111.41 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.59 -43.46 98.75 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.738 0.815 . . . . 99.99 110.678 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtm 57.59 74.62 0.63 Allowed Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.843 1.257 . . . . 99.99 110.298 -175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.57 -34.15 96.8 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.218 2.612 . . . . 99.99 113.43 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 14.6 t 58.77 32.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 122.913 1.34 . . . . 99.99 109.612 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 tp -110.84 110.79 21.56 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.776 -1.102 . . . . 99.99 108.41 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 74.13 -71.98 0.12 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.265 1.426 . . . . 99.99 111.149 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.75 66.38 1.14 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.54 1.136 . . . . 99.99 110.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -75.11 131.51 40.57 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.572 -0.74 . . . . 99.99 112.257 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 103.44 1.81 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.501 0.721 . . . . 99.99 109.674 173.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.23 101.72 3.02 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.428 0.691 . . . . 99.99 110.017 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -115.77 176.94 4.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.34 1.056 . . . . 99.99 109.923 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 111.961 -0.455 . . . . 99.99 111.961 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.74 100.61 8.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 99.99 109.316 174.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 pt -123.65 12.15 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.132 0.973 . . . . 99.99 111.742 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m 66.85 87.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.489 1.116 . . . . 99.99 110.382 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.06 116.43 13.37 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.498 -0.927 . . . . 99.99 108.498 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.0 103.68 0.13 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 123.191 2.594 . . . . 99.99 112.579 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.53 -8.75 63.96 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 115.846 -0.615 . . . . 99.99 113.368 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . 0.674 ' HA3' HD22 ' E' ' 47' ' ' LEU . . . 89.05 -47.56 3.37 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.039 0.352 . . . . 99.99 112.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' ALA . . . . . . . . . . . . . . . 75.66 150.58 0.11 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.915 1.686 . . . . 99.99 112.416 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 56.77 74.44 0.41 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.028 1.331 . . . . 99.99 111.553 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 65.55 -76.71 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.18 1.392 . . . . 99.99 111.602 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' LEU . . . . . 0.674 HD22 ' HA3' ' E' ' 43' ' ' GLY . 48.2 tp 65.69 -75.13 0.05 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.226 1.41 . . . . 99.99 111.123 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -74.25 1.08 12.22 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.599 1.16 . . . . 99.99 112.433 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.76 154.16 27.8 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 111.938 -0.465 . . . . 99.99 111.938 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -167.49 129.63 1.6 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.403 0.681 . . . . 99.99 110.824 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -94.71 -21.89 18.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.524 1.129 . . . . 99.99 112.133 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' THR . . . . . . . . . . . . . 58.4 m -74.08 -61.62 1.79 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.089 0.555 . . . . 99.99 112.376 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.12 -45.15 11.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.907 0.483 . . . . 99.99 110.16 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -172.17 4.02 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.758 0.823 . . . . 99.99 110.423 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.484 HD23 ' H ' ' E' ' 55' ' ' LEU . 1.9 pt? -125.89 118.35 25.25 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.797 0.439 . . . . 99.99 110.838 -173.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 56' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 56.85 60.84 2.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.87 1.268 . . . . 99.99 111.66 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 52.77 53.52 12.02 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.858 0.863 . . . . 99.99 111.807 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -55.71 127.52 30.43 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 112.218 0.451 . . . . 99.99 112.218 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt 89.94 -25.86 0.06 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.789 2.035 . . . . 99.99 113.253 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -145.41 74.02 1.38 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.491 0.662 . . . . 99.99 109.326 173.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -93.59 174.51 7.15 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.233 -0.894 . . . . 99.99 110.821 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 113.68 65.17 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 107.946 -1.131 . . . . 99.99 107.946 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.17 56.21 5.67 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 123.261 2.641 . . . . 99.99 110.576 172.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' B' ' 12' ' ' GLN . . . 60.64 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 113.94 -1.482 . . . . 99.99 110.11 -163.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 65' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -179.85 -164.39 0.06 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.518 1.127 . . . . 99.99 109.003 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 66' ' ' ASN . . . . . 0.61 HD22 HG21 ' E' ' 80' ' ' ILE . 97.7 m-20 -85.62 136.99 33.16 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 108.573 -0.899 . . . . 99.99 108.573 165.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 67' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.76 143.11 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 124.055 0.942 . . . . 99.99 111.99 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 68' ' ' ILE . . . . . . . . . . . . . 28.9 pt -89.4 28.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.592 1.157 . . . . 99.99 112.272 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -80.17 -57.95 3.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.782 -0.822 . . . . 99.99 108.782 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -94.65 26.5 3.47 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.006 -0.997 . . . . 99.99 111.153 -168.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.42 179.18 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.809 0.444 . . . . 99.99 110.687 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.03 56.95 0.18 Allowed Glycine 0 N--CA 1.465 0.627 0 N-CA-C 110.592 -1.003 . . . . 99.99 110.592 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -153.83 169.19 24.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.992 0.917 . . . . 99.99 109.121 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.55 -168.76 4.08 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 123.178 0.299 . . . . 99.99 112.878 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.99 4.95 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 122.257 1.027 . . . . 99.99 110.26 -177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.25 80.39 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.177 -1.374 . . . . 99.99 110.686 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -117.54 44.52 2.12 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.211 1.004 . . . . 99.99 110.678 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -79.23 -57.07 3.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.644 -0.707 . . . . 99.99 110.685 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -81.26 -32.61 33.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.877 0.871 . . . . 99.99 111.06 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 80' ' ' ILE . . . . . 0.61 HG21 HD22 ' E' ' 66' ' ' ASN . 3.3 mp 67.01 130.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.892 1.277 . . . . 99.99 110.576 -171.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -127.2 135.77 51.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.553 0.741 . . . . 99.99 110.143 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.16 173.19 5.84 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.086 0.954 . . . . 99.99 111.481 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.95 -171.2 3.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.373 0.669 . . . . 99.99 110.419 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 143.12 25.46 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.083 0.953 . . . . 99.99 110.837 173.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 85' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.88 -74.89 0.43 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.777 0.431 . . . . 99.99 110.86 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -161.04 144.14 12.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.777 0.431 . . . . 99.99 110.897 -169.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.86 38.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 99.99 109.576 176.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 88' ' ' GLU . . . . . 0.456 ' H ' HG21 ' D' ' 7' ' ' THR . 21.7 mt-10 -85.47 -70.59 0.58 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.724 0.81 . . . . 99.99 110.257 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.84 -78.6 1.51 Allowed Glycine 0 C--N 1.355 1.629 0 CA-C-N 115.875 -0.602 . . . . 99.99 111.908 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . 63.8 17.87 10.78 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.927 1.291 . . . . 99.99 113.989 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.99 143.11 15.69 Favored Glycine 0 C--N 1.344 0.992 0 N-CA-C 111.782 -0.527 . . . . 99.99 111.782 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.64 -132.03 3.64 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 117.272 0.536 . . . . 99.99 112.874 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 93' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.5 113.38 10.54 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.431 0.692 . . . . 99.99 109.976 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.62 -177.83 3.22 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.667 0.787 . . . . 99.99 108.974 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 95' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -135.17 109.17 8.17 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.047 0.451 . . . . 99.99 109.904 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.94 -137.0 2.11 Favored Glycine 0 C--O 1.242 0.647 0 N-CA-C 109.212 -1.555 . . . . 99.99 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 97' ' ' ILE . . . . . 0.535 HG23 ' SD ' ' D' ' 94' ' ' MET . 9.5 mt 63.8 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 C-N-CA 124.237 1.015 . . . . 99.99 112.392 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.54 34.64 0.49 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.847 0.859 . . . . 99.99 111.828 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.55 129.25 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.543 1.137 . . . . 99.99 109.892 -164.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' D' ' 54' ' ' ASP . 3.5 mp -75.94 107.1 3.81 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 109.231 -0.655 . . . . 99.99 109.231 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 101' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -86.04 6.32 5.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.308 2.005 . . . . 99.99 111.434 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp 66.63 -83.18 0.03 OUTLIER 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.631 1.572 . . . . 99.99 109.893 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -148.24 3.31 0.68 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.864 1.266 . . . . 99.99 109.661 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.82 -52.82 4.62 Favored Glycine 0 C--N 1.357 1.717 0 CA-C-N 116.038 -0.528 . . . . 99.99 112.841 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 105' ' ' GLN . . . . . 0.408 ' HG3' ' ND1' ' E' ' 108' ' ' HIS . 50.1 tp60 -139.27 38.62 2.09 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.428 0.691 . . . . 99.99 109.948 -170.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 106' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 62.19 -81.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 125.034 1.334 . . . . 99.99 112.179 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 36.8 p -133.9 -90.04 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.12 -0.696 . . . . 99.99 109.12 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 108' ' ' HIS . . . . . 0.408 ' ND1' ' HG3' ' E' ' 105' ' ' GLN . 60.4 m80 52.04 19.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.594 1.158 . . . . 99.99 113.06 -174.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 109' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -134.96 -77.7 0.45 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.727 -1.583 . . . . 99.99 106.727 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.61 161.12 22.99 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.048 -0.723 . . . . 99.99 109.048 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 111' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.67 79.35 0.26 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.13 0.972 . . . . 99.99 110.865 -174.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 112' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -164.16 -67.56 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.78 -0.822 . . . . 99.99 108.78 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 113' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -165.38 -70.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.248 1.019 . . . . 99.99 108.952 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.02 122.82 28.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.931 0.892 . . . . 99.99 109.059 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 115' ' ' THR . . . . . 0.528 ' HA ' ' HD1' ' D' ' 140' ' ' TYR . 15.1 p -131.73 -67.5 0.68 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.353 1.061 . . . . 99.99 108.421 173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 116' ' ' GLY . . . . . . . . . . . . . . . 179.44 -115.79 0.49 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.987 -1.245 . . . . 99.99 109.987 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 117' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -122.13 109.64 33.34 Favored Pre-proline 0 N--CA 1.472 0.674 0 N-CA-C 108.746 -0.835 . . . . 99.99 108.746 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 118' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -80.01 35.21 0.56 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 123.333 2.689 . . . . 99.99 112.986 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.59 69.94 5.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.981 1.313 . . . . 99.99 110.047 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 120' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -175.76 -40.47 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.584 1.554 . . . . 99.99 108.423 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 121' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.28 -30.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.025 -0.732 . . . . 99.99 109.025 169.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 122' ' ' THR . . . . . . . . . . . . . 39.9 p -66.69 85.17 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.051 0.94 . . . . 99.99 110.222 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -156.26 -76.91 0.09 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.577 -1.268 . . . . 99.99 107.577 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 124' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' D' ' 129' ' ' ALA . 12.3 t 49.06 86.22 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.365 1.466 . . . . 99.99 112.934 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.29 79.34 0.37 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.272 0.558 . . . . 99.99 110.034 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 126' ' ' ALA . . . . . . . . . . . . . . . -161.84 129.09 3.93 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.131 0.972 . . . . 96.83 109.758 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -161.62 168.47 23.4 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.751 0.82 . . . . 99.99 109.761 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 128' ' ' ALA . . . . . . . . . . . . . . . -156.19 177.87 10.94 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.391 0.676 . . . . 74.48 111.002 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 129' ' ' THR . . . . . . . . . . . . . 5.5 t -123.04 163.47 20.43 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.443 -0.799 . . . . 99.99 109.843 -177.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 130' ' ' ALA . . . . . . . . . . . . . . . -96.78 -174.9 3.13 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.33 0.652 . . . . 99.99 111.314 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 131' ' ' TRP . . . . . 0.52 ' HE1' HG23 ' D' ' 122' ' ' THR . 60.6 p-90 -148.97 162.91 38.95 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.867 0.867 . . . . 99.99 109.694 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 132' ' ' SER . . . . . . . . . . . . . 73.1 m -156.72 128.14 7.04 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 133' ' ' THR . . . . . . . . . . . . . 7.3 m -133.75 100.76 4.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.258 0.481 . . . . 99.99 109.924 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 134' ' ' GLY . . . . . . . . . . . . . . . -78.53 137.82 20.15 Favored Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.477 -0.649 . . . . 89.58 111.477 171.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.98 -38.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.594 0.758 . . . . 99.99 110.788 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.46 81.96 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 126.476 1.91 . . . . 99.99 112.736 -171.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 137' ' ' THR . . . . . . . . . . . . . 21.4 p -62.07 -74.37 0.09 Allowed 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 114.352 1.242 . . . . 99.99 114.352 -162.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 138' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.95 -175.8 5.28 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.529 0.332 . . . . 99.99 111.141 -169.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -68.16 152.76 45.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.986 0.914 . . . . 99.99 110.93 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.93 -65.79 3.69 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.411 -0.359 . . . . 99.99 112.288 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 141' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' C' ' 13' ' ' ILE . . . 60.38 15.34 5.39 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.16 0.984 . . . . 99.99 112.287 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 142' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' C' ' 101' ' ' TYR . 8.1 mp 68.59 -56.33 0.52 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.847 1.659 . . . . 99.99 111.999 -167.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' SG ' ' C' ' 102' ' ' CYS . . . -76.24 129.42 10.06 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.028 0.771 . . . . 99.99 115.028 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 144' ' ' VAL . . . . . 0.534 HG22 HD11 ' E' ' 278' ' ' LEU . 7.4 p -155.35 133.22 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 124.93 1.292 . . . . 99.99 108.289 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 145' ' ' ASP . . . . . 0.799 ' HB2' HG22 ' C' ' 58' ' ' VAL . 19.9 t70 -142.18 143.44 32.94 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.803 1.038 . . . . 99.99 113.803 -167.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 146' ' ' ILE . . . . . . . . . . . . . 6.1 tt -127.54 102.78 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 106.523 -1.658 . . . . 99.99 106.523 163.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 147' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -58.05 121.83 11.57 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 116.363 -0.381 . . . . 99.99 111.984 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -81.01 127.46 32.61 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.327 -0.99 . . . . 99.99 108.327 167.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -141.33 103.14 4.36 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.939 -1.504 . . . . 99.99 106.939 171.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 150' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.37 146.85 23.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.45 -0.574 . . . . 99.99 109.45 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 151' ' ' HIS . . . . . 0.566 ' HB2' ' HD3' ' E' ' 152' ' ' PRO . 24.9 m170 -92.65 -47.51 0.31 Allowed Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.027 0.531 . . . . 99.99 110.603 -177.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 152' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' E' ' 151' ' ' HIS . 16.8 Cg_exo -73.03 -169.17 0.47 Allowed 'Trans proline' 0 C--N 1.389 2.702 0 C-N-CA 121.766 1.644 . . . . 99.99 111.687 164.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 153' ' ' THR . . . . . . . . . . . . . 3.9 m 59.89 41.52 17.73 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.795 0.838 . . . . 99.99 110.278 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 154' ' ' ILE . . . . . 0.548 HD12 ' H ' ' E' ' 154' ' ' ILE . 4.0 mp -67.94 -55.58 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.279 -0.873 . . . . 99.99 109.149 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 155' ' ' LEU . . . . . . . . . . . . . 7.7 mp -107.12 -55.21 2.36 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.074 -1.084 . . . . 99.99 108.074 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 73.62 -49.71 0.69 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.779 1.632 . . . . 99.99 111.803 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 157' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' E' ' 158' ' ' ALA . 11.8 tmm? -60.39 155.16 18.7 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.351 1.061 . . . . 99.99 110.456 174.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 158' ' ' ALA . . . . . 0.463 ' N ' ' SD ' ' E' ' 157' ' ' MET . . . -48.57 108.74 0.19 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.627 1.171 . . . . 99.99 112.086 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 159' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' E' ' 159' ' ' LYS . 7.7 tmtt? -63.55 -30.83 71.89 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.38 1.072 . . . . 99.99 110.135 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 160' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.45 39.17 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.036 0.934 . . . . 99.99 112.284 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 161' ' ' ALA . . . . . . . . . . . . . . . 67.42 -83.1 0.03 OUTLIER 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.27 1.428 . . . . 99.99 111.228 172.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 162' ' ' GLY . . . . . . . . . . . . . . . -118.17 30.69 5.95 Favored Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.586 -0.606 . . . . 99.99 111.586 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 163' ' ' LEU . . . . . . . . . . . . . 28.5 tp 60.71 33.95 20.09 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.62 1.168 . . . . 99.99 109.853 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 164' ' ' ALA . . . . . . . . . . . . . . . 63.98 -79.43 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.078 1.351 . . . . 99.99 111.424 -174.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 165' ' ' THR . . . . . . . . . . . . . 8.8 t -123.92 -1.86 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.188 0.995 . . . . 99.99 110.702 -175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.66 -87.05 1.32 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.678 -0.569 . . . . 99.99 111.678 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.47 -88.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.521 0.728 . . . . 99.99 109.284 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 168' ' ' VAL . . . . . . . . . . . . . 7.2 p -177.85 -42.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.238 1.415 . . . . 99.99 107.885 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 169' ' ' SER . . . . . . . . . . . . . 21.1 m 70.47 -57.77 0.57 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.723 1.609 . . . . 99.99 112.113 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 170' ' ' THR . . . . . . . . . . . . . 2.7 m -74.88 76.75 2.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.314 1.046 . . . . 99.99 110.423 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 171' ' ' ALA . . . . . . . . . . . . . . . -175.8 124.77 0.21 Allowed 'General case' 0 C--O 1.242 0.668 0 C-N-CA 125.008 1.323 . . . . 99.99 108.425 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 172' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.16 127.62 6.49 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.486 0.714 . . . . 99.99 109.616 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 173' ' ' LEU . . . . . . . . . . . . . 43.4 tp -124.5 123.91 41.14 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.544 -0.91 . . . . 99.99 108.544 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 174' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -72.71 84.67 1.18 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.205 1.002 . . . . 99.99 110.087 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 175' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -93.92 -48.87 6.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.955 -1.02 . . . . 99.99 109.268 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.22 122.75 28.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.953 -0.567 . . . . 99.99 111.005 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 177' ' ' THR . . . . . . . . . . . . . 87.2 m -138.28 121.14 10.97 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 106.922 -1.51 . . . . 99.99 106.922 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 178' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.37 66.07 7.93 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 123.347 2.698 . . . . 99.99 113.288 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.78 -177.46 0.08 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 99.99 113.684 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 180' ' ' ALA . . . . . . . . . . . . . . . -94.33 161.95 14.04 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.824 0.85 . . . . 99.99 110.689 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.55 121.51 42.52 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.915 -0.772 . . . . 99.99 108.915 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 182' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.79 114.07 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 122.752 0.421 . . . . 99.99 110.022 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 183' ' ' ALA . . . . . . . . . . . . . . . 56.66 23.72 8.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.527 1.131 . . . . 99.99 112.575 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 184' ' ' HIS . . . . . . . . . . . . . 36.7 m80 55.96 -80.69 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.496 1.518 . . . . 99.99 111.681 -171.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 185' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.23 -43.66 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.914 0.886 . . . . 99.99 110.133 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 186' ' ' THR . . . . . . . . . . . . . 2.9 p 46.75 83.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.438 1.495 . . . . 99.99 113.778 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 187' ' ' SER . . . . . . . . . . . . . 20.2 p -71.64 151.33 43.8 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.286 0.635 . . . . 99.99 110.041 169.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 188' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 78.96 -29.74 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.885 1.674 . . . . 99.99 111.916 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 189' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.98 126.54 27.99 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.152 0.981 . . . . 99.99 109.497 177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 190' ' ' CYS . . . . . . . . . . . . . 81.6 m 73.63 117.21 0.05 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.089 1.356 . . . . 99.99 109.892 -168.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 191' ' ' TYR . . . . . 0.678 ' HB2' ' HB3' ' E' ' 212' ' ' SER . 70.0 t80 73.71 131.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.29 1.436 . . . . 99.99 110.657 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 192' ' ' GLY . . . . . . . . . . . . . . . 81.7 169.28 42.37 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.512 -0.605 . . . . 99.99 112.473 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 193' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.58 94.04 0.14 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.764 2.309 . . . . 99.99 112.223 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 194' ' ' SER . . . . . . . . . . . . . 35.3 p -102.34 31.51 3.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.205 1.002 . . . . 99.99 109.041 173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 195' ' ' ALA . . . . . . . . . . . . . . . -78.86 70.36 5.19 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.346 1.058 . . . . 99.99 110.229 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 196' ' ' THR . . . . . . . . . . . . . 4.8 t -82.29 -53.97 5.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.438 -0.801 . . . . 99.99 108.909 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 197' ' ' SER . . . . . . . . . . . . . 80.8 p 45.99 23.48 0.18 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.033 1.864 . . . . 99.99 116.033 161.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 198' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -67.67 -66.5 0.55 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.684 0.794 . . . . 99.99 111.39 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 199' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -90.11 59.26 4.42 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.438 0.695 . . . . 99.99 109.553 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 200' ' ' CYS . . . . . . . . . . . . . 58.4 m 61.7 105.62 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.446 0 C-N-CA 124.474 1.11 . . . . 99.99 112.027 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 201' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.68 162.7 32.52 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.804 2.336 . . . . 99.99 113.709 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 202' ' ' GLY . . . . . . . . . . . . . . . 101.71 -88.38 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 CA-C-N 115.773 -0.649 . . . . 99.99 113.313 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.37 -48.35 81.95 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.918 0.887 . . . . 99.99 111.62 -170.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 204' ' ' ALA . . . . . . . . . . . . . . . -92.98 -24.04 18.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.655 0.782 . . . . 99.99 111.38 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 205' ' ' LEU . . . . . . . . . . . . . 8.8 mp -98.5 -114.84 0.15 Allowed 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 109.351 -0.611 . . . . 99.99 109.351 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 206' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 56.48 15.63 2.13 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.353 1.461 . . . . 99.99 112.549 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 207' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.53 112.88 8.02 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.332 -0.618 . . . . 99.99 109.332 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 208' ' ' GLY . . . . . . . . . . . . . . . -179.07 -67.86 0.07 OUTLIER Glycine 0 C--O 1.246 0.89 0 O-C-N 123.921 0.763 . . . . 99.99 112.274 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 209' ' ' GLY . . . . . . . . . . . . . . . 98.6 -168.36 22.71 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.244 -0.478 . . . . 99.99 112.295 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 210' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -91.75 4.22 53.3 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.126 0.97 . . . . 99.99 111.646 -171.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 211' ' ' GLY . . . . . . . . . . . . . . . -76.46 179.77 48.21 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.936 -0.575 . . . . 99.99 113.188 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 212' ' ' SER . . . . . 0.678 ' HB3' ' HB2' ' E' ' 191' ' ' TYR . 73.9 m 62.81 18.56 10.83 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.427 1.091 . . . . 99.99 112.218 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 213' ' ' ILE . . . . . . . . . . . . . 70.8 mt -138.06 -52.22 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.54 -1.281 . . . . 99.99 107.54 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 214' ' ' THR . . . . . . . . . . . . . 25.0 m 75.81 -31.1 0.19 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.086 1.354 . . . . 99.99 113.767 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 215' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.28 -29.83 68.71 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.691 0.796 . . . . 99.99 111.325 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 216' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -73.1 -11.91 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.473 1.109 . . . . 99.99 111.224 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 217' ' ' LEU . . . . . . . . . . . . . 86.3 mt 81.55 135.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.576 1.95 . . . . 99.99 110.953 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 218' ' ' LEU . . . . . . . . . . . . . 42.5 tp -118.68 129.19 55.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.041 0.536 . . . . 99.99 110.223 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 219' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -78.48 162.61 26.24 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 124.958 1.303 . . . . 99.99 110.801 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 220' ' ' ALA . . . . . . . . . . . . . . . 63.05 -164.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.134 0.974 . . . . 99.99 112.495 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 221' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 68.4 18.43 9.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.476 1.111 . . . . 99.99 111.945 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 222' ' ' ALA . . . . . . . . . . . . . . . -68.95 127.22 32.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.088 0.955 . . . . 99.99 110.392 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 223' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.56 155.99 39.62 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.917 0.887 . . . . 99.99 111.163 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 224' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.07 139.63 50.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.692 0.797 . . . . 99.99 109.83 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 225' ' ' THR . . . . . . . . . . . . . 3.8 t -133.31 77.37 1.72 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.726 0.81 . . . . 99.99 110.663 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 226' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.31 -75.01 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.213 1.405 . . . . 99.99 113.105 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 227' ' ' GLY . . . . . . . . . . . . . . . 89.72 35.62 7.73 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 122.831 0.253 . . . . 99.99 112.646 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 228' ' ' GLY . . . . . . . . . . . . . . . -155.5 178.92 31.85 Favored Glycine 0 C--N 1.342 0.88 0 N-CA-C 112.006 -0.438 . . . . 99.99 112.006 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 229' ' ' GLY . . . . . . . . . . . . . . . 102.22 53.27 0.95 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.714 -0.954 . . . . 99.99 110.714 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 230' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.33 72.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.73 0.812 . . . . 99.99 111.157 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 231' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 55.77 54.06 8.67 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.49 1.116 . . . . 99.99 112.122 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 232' ' ' THR . . . . . . . . . . . . . 39.6 p -72.22 84.46 1.04 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.401 0.68 . . . . 99.99 111.641 -176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 233' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -165.77 -43.06 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.827 1.251 . . . . 99.99 108.72 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 234' ' ' ALA . . . . . . . . . . . . . . . 55.34 -81.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.727 1.611 . . . . 99.99 112.44 -173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 235' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.67 69.09 10.32 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.013 0.925 . . . . 99.99 110.95 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 236' ' ' THR . . . . . . . . . . . . . 59.6 p 50.92 -159.99 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 125.412 1.485 . . . . 99.99 113.421 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 237' ' ' ALA . . . . . . . . . . . . . . . 60.87 27.67 17.48 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.834 1.254 . . . . 99.99 111.01 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 238' ' ' THR . . . . . . . . . . . . . 18.9 m -58.11 -42.12 85.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.473 1.509 . . . . 99.99 112.48 -173.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 239' ' ' ALA . . . . . . . . . . . . . . . -138.78 50.06 1.86 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 99.99 108.797 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 240' ' ' GLY . . . . . . . . . . . . . . . -80.07 51.48 4.11 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 115.669 -0.696 . . . . 99.99 112.864 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 241' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -93.75 70.61 4.11 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.418 1.087 . . . . 99.99 110.012 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 242' ' ' TRP . . . . . 0.436 ' HB2' ' HG2' ' E' ' 245' ' ' LYS . 6.4 m-90 -124.02 -5.85 7.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.821 -1.081 . . . . 99.99 109.738 172.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 243' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 53.67 -106.49 0.31 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.321 1.448 . . . . 99.99 112.441 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 244' ' ' GLY . . . . . . . . . . . . . . . -78.21 -21.98 69.13 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 119.881 -0.4 . . . . 99.99 112.862 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 245' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' E' ' 242' ' ' TRP . 93.8 mttt 67.16 -72.55 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.464 1.506 . . . . 99.99 111.171 177.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 246' ' ' THR . . . . . . . . . . . . . 28.1 m 75.42 -42.35 0.47 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.164 1.386 . . . . 99.99 114.506 169.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 247' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -19.85 61.24 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.34 1.237 . . . . 99.99 114.34 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 248' ' ' ARG . . . . . 0.608 ' HD2' ' H ' ' E' ' 248' ' ' ARG . 0.0 OUTLIER -50.98 -63.04 1.26 Allowed 'General case' 0 CA--C 1.555 1.149 0 O-C-N 124.434 1.084 . . . . 99.99 113.624 -161.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 249' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' E' ' 248' ' ' ARG . 33.3 mt-10 -88.63 -62.19 1.54 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.456 0.646 . . . . 99.99 111.246 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 250' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.17 -48.82 19.08 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 114.845 -1.071 . . . . 99.99 113.061 -159.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 251' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.9 70.66 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.339 0.866 . . . . 99.99 113.339 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 252' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -75.41 -33.96 61.0 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 123.461 0.476 . . . . 99.99 111.734 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 253' ' ' ALA . . . . . . . . . . . . . . . -88.73 -66.91 0.87 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.921 0.488 . . . . 99.99 110.893 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 254' ' ' ARG . . . . . 0.519 ' HB3' ' HA ' ' E' ' 258' ' ' LEU . 59.7 mmt-85 -132.52 110.58 10.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 99.99 108.772 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 255' ' ' GLY . . . . . . . . . . . . . . . -74.31 75.38 1.18 Allowed Glycine 0 C--N 1.349 1.305 0 O-C-N 123.18 0.3 . . . . 99.99 113.61 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 256' ' ' TYR . . . . . . . . . . . . . 66.0 t80 68.49 -71.23 0.12 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.962 1.705 . . . . 99.99 113.103 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 257' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -72.88 8.2 1.65 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.835 1.05 . . . . 99.99 113.835 -173.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 258' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' E' ' 254' ' ' ARG . 31.6 tp 71.2 -80.82 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.57 1.148 . . . . 99.99 112.311 160.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 259' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.68 -36.75 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.336 0.654 . . . . 99.99 112.545 -171.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 260' ' ' SER . . . . . . . . . . . . . 23.2 p -82.57 163.37 21.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.767 0.427 . . . . 99.99 110.69 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 261' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -79.5 -152.26 0.07 Allowed 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 108.433 -0.951 . . . . 99.99 108.433 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.25 -12.69 5.84 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.112 0.869 . . . . 99.99 112.254 171.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 263' ' ' ALA . . . . . . . . . . . . . . . -46.44 -64.66 0.7 Allowed 'General case' 0 C--N 1.372 1.554 0 C-N-CA 124.841 1.257 . . . . 99.99 111.432 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 264' ' ' SER . . . . . . . . . . . . . 17.2 t 49.8 39.11 17.31 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.404 1.065 . . . . 99.99 112.052 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.74 124.01 19.17 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.042 0.537 . . . . 99.99 110.612 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 266' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.46 -53.89 41.19 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.266 0.626 . . . . 99.99 110.664 -176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 267' ' ' SER . . . . . . . . . . . . . 32.5 p -160.74 -76.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.312 -0.858 . . . . 99.99 109.315 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 268' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.83 -9.8 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.385 0.674 . . . . 99.99 111.436 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 269' ' ' THR . . . . . . . . . . . . . 12.6 t -130.98 160.59 34.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.307 0.643 . . . . 99.99 111.189 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 270' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' E' ' 272' ' ' ASN . 12.8 tt0 -146.53 126.62 13.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.572 1.149 . . . . 99.99 108.85 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 271' ' ' ALA . . . . . . . . . . . . . . . -91.25 0.61 57.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.131 0.973 . . . . 99.99 112.997 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 272' ' ' ASN . . . . . 0.44 ' H ' ' HG2' ' E' ' 270' ' ' GLU . 43.1 t30 -80.21 -62.64 1.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 119.107 -0.473 . . . . 99.99 112.002 -171.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 273' ' ' GLN . . . . . 0.541 ' HG3' ' H ' ' E' ' 275' ' ' LYS . 7.1 tp-100 162.73 134.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.806 1.243 . . . . 99.99 109.685 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.69 25.32 5.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.952 0.901 . . . . 99.99 110.054 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 275' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' E' ' 273' ' ' GLN . 2.4 pptp? -46.62 131.81 8.23 Favored Pre-proline 0 N--CA 1.49 1.533 0 C-N-CA 124.352 1.061 . . . . 99.99 112.625 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 276' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -92.7 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.966 2.444 . . . . 99.99 113.292 -166.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 277' ' ' LEU . . . . . 0.662 HD13 ' H ' ' E' ' 277' ' ' LEU . 0.0 OUTLIER -71.28 73.77 0.69 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.447 1.499 . . . . 99.99 112.343 -177.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 278' ' ' LEU . . . . . 0.534 HD11 HG22 ' E' ' 144' ' ' VAL . 0.2 OUTLIER -144.18 -169.07 3.04 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.557 0.743 . . . . 99.99 109.386 -170.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 279' ' ' GLY . . . . . 0.423 ' O ' HD13 ' C' ' 98' ' ' LEU . . . -172.46 173.74 45.42 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.291 -0.723 . . . . 99.99 111.291 177.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 65.42 -170.65 0.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.616 1.166 . . . . 99.99 111.375 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 281' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 69.77 -14.31 0.36 Allowed 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.53 1.532 . . . . 99.99 113.809 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 282' ' ' ALA . . . . . . . . . . . . . . . -60.52 -37.74 82.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.138 -0.689 . . . . 99.99 109.138 169.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 283' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.28 157.51 41.49 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.837 -1.074 . . . . 99.99 108.463 166.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 284' ' ' GLY . . . . . . . . . . . . . . . -169.62 25.25 0.1 Allowed Glycine 0 N--CA 1.471 1.013 0 N-CA-C 111.656 -0.578 . . . . 99.99 111.656 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 285' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -89.82 112.42 23.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.113 0.965 . . . . 99.99 109.621 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 286' ' ' MET . . . . . . . . . . . . . 65.3 ttp -133.64 115.14 13.42 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 109.225 -0.657 . . . . 99.99 109.225 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 287' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.46 110.15 1.76 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.55 2.166 . . . . 99.99 110.76 174.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 288' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' C' ' 42' ' ' LEU . 46.1 t -81.83 114.89 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.046 0.539 . . . . 99.99 109.601 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 289' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -81.91 4.55 22.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.518 1.127 . . . . 99.99 112.141 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 290' ' ' TRP . . . . . 0.497 ' H ' HG12 ' E' ' 288' ' ' VAL . 90.6 m95 69.58 -170.83 0.17 Allowed 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.007 1.323 . . . . 99.99 112.22 -175.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 291' ' ' LEU . . . . . 0.542 HD23 ' HD2' ' E' ' 293' ' ' PRO . 0.0 OUTLIER -114.97 -164.13 0.92 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.107 1.363 . . . . 99.99 109.865 -177.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 292' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.19 3.75 Favored Glycine 0 CA--C 1.542 1.753 0 CA-C-O 118.906 -0.941 . . . . 99.99 114.628 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 293' ' ' PRO . . . . . 0.542 ' HD2' HD23 ' E' ' 291' ' ' LEU . 31.7 Cg_exo -63.01 89.25 0.12 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.179 2.586 . . . . 99.99 111.637 172.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 294' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' E' ' 290' ' ' TRP . 15.0 tmtt? -140.93 114.92 9.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.794 -0.817 . . . . 99.99 108.794 -174.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.53 -51.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.625 1.57 . . . . 99.99 107.211 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 296' ' ' THR . . . . . 0.636 ' HB ' HG21 ' C' ' 40' ' ' VAL . 40.0 m 57.1 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.901 1.68 . . . . 99.99 113.147 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 297' ' ' TYR . . . . . 0.658 ' HA ' ' HG2' ' C' ' 124' ' ' PRO . 29.2 t80 -84.0 70.94 10.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.333 0.653 . . . . 99.99 110.963 -168.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 298' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -175.88 143.47 0.58 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.037 1.335 . . . . 99.99 108.44 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 299' ' ' GLY . . . . . . . . . . . . . . . 87.06 -55.47 4.6 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 113.661 0.225 . . . . 99.99 113.661 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 300' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -88.61 28.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.105 0.962 . . . . 99.99 110.664 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 301' ' ' ILE . . . . . 0.598 ' HB ' ' HD3' ' C' ' 124' ' ' PRO . 6.1 tp -135.76 15.8 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 126.111 1.765 . . . . 99.99 108.012 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 302' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.19 -140.87 0.23 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.388 1.075 . . . . 99.99 109.016 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 303' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -113.25 92.79 23.5 Favored Pre-proline 0 N--CA 1.478 0.942 0 CA-C-N 119.572 1.078 . . . . 99.99 110.32 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 304' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.18 -30.74 1.99 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.175 1.917 . . . . 99.99 111.654 168.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 305' ' ' ALA . . . . . . . . . . . . . . . -170.98 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.759 1.223 . . . . 99.99 108.873 -172.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 306' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.45 112.88 15.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.841 -1.17 . . . . 99.99 107.841 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 307' ' ' THR . . . . . . . . . . . . . 45.5 p -65.56 149.52 49.94 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 124.009 0.924 . . . . 99.99 111.229 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 308' ' ' CYS . . . . . 0.432 ' HA ' ' HZ ' ' C' ' 32' ' ' PHE . 52.5 t -71.41 89.68 0.93 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 108.218 -1.03 . . . . 99.99 108.218 172.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 309' ' ' THR . . . . . . . . . . . . . 45.1 p -58.65 125.8 77.85 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.47 1.108 . . . . 99.99 111.423 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 79.02 1.61 Allowed 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.406 2.071 . . . . 99.99 111.29 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 311' ' ' ASN . . . . . 0.438 HD21 HG21 ' D' ' 83' ' ' ILE . 13.3 m120 -77.43 -44.93 2.63 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 114.399 -1.273 . . . . 99.99 111.099 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 312' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.89 130.03 38.13 Favored 'Trans proline' 0 C--N 1.393 2.876 0 CA-C-N 121.37 1.525 . . . . 99.99 111.095 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 313' ' ' GLN . . . . . 0.52 ' HG2' ' HB2' ' D' ' 53' ' ' ASP . 22.6 tm0? -56.82 114.27 2.01 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.888 0.875 . . . . 99.99 109.544 -177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 314' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.49 91.08 1.77 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 122.226 1.013 . . . . 99.99 110.205 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 315' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -85.15 76.86 10.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.571 -1.195 . . . . 99.99 110.174 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 316' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -70.59 -40.63 73.13 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.047 -0.979 . . . . 99.99 111.181 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 317' ' ' SER . . . . . . . . . . . . . 48.1 m -113.78 104.57 12.34 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.574 -0.899 . . . . 99.99 108.574 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 318' ' ' VAL . . . . . . . . . . . . . 29.4 m -100.6 148.87 35.58 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 124.22 1.008 . . . . 99.99 109.762 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 319' ' ' PRO . . . . . 0.538 ' HB3' ' HB3' ' E' ' 323' ' ' GLN . 24.2 Cg_exo -65.38 98.85 0.34 Allowed 'Trans proline' 0 C--N 1.369 1.649 0 C-N-CA 122.286 1.991 . . . . 99.99 111.227 174.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 320' ' ' THR . . . . . . . . . . . . . 25.9 p -90.94 78.15 6.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 122.853 0.461 . . . . 99.99 110.535 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 321' ' ' LEU . . . . . . . . . . . . . 2.0 tt 58.31 62.87 1.87 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.725 1.21 . . . . 99.99 110.368 174.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 322' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.947 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 323' ' ' GLN . . . . . 0.538 ' HB3' ' HB3' ' E' ' 319' ' ' PRO . 6.7 tp60 -86.59 43.63 1.09 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.214 0.605 . . . . 99.99 110.823 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 324' ' ' MET . . . . . . . . . . . . . 20.6 mmt 47.71 61.19 3.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.634 1.174 . . . . 99.99 111.741 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 325' ' ' THR . . . . . . . . . . . . . 4.4 m -56.54 -43.76 80.19 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 114.43 -1.259 . . . . 99.99 112.117 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 326' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.13 -27.77 32.58 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 114.769 -1.105 . . . . 99.99 111.207 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? 76.52 -55.86 0.57 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.616 1.566 . . . . 99.99 110.786 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 328' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.71 31.73 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.197 0.999 . . . . 99.99 112.778 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 329' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.98 -7.81 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 123.645 0.778 . . . . 99.99 112.612 168.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.38 -51.6 66.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.476 -0.935 . . . . 99.99 108.476 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 331' ' ' LEU . . . . . . . . . . . . . 45.4 tp -73.3 -41.58 63.4 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.529 0.732 . . . . 99.99 110.489 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 332' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' E' ' 337' ' ' LYS . 37.2 tp -106.95 72.27 0.88 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.612 0.72 . . . . 99.99 110.044 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 333' ' ' SER . . . . . . . . . . . . . 19.2 m -79.87 -13.82 59.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.337 -0.847 . . . . 99.99 111.434 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 334' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -150.97 141.09 22.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.154 0.582 . . . . 99.99 110.298 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 335' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -53.89 -34.95 60.98 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.371 1.468 . . . . 99.99 113.793 -168.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -72.51 114.68 10.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.814 0.446 . . . . 99.99 111.159 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 337' ' ' LYS . . . . . 0.497 ' HD3' HD13 ' E' ' 332' ' ' LEU . 22.5 pttp -150.04 -30.6 0.21 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.531 1.132 . . . . 99.99 109.835 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 338' ' ' GLY . . . . . . . . . . . . . . . 141.61 150.42 5.37 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.667 -0.573 . . . . 99.99 111.667 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 339' ' ' PHE . . . . . . . . . . . . . 83.7 t80 58.51 90.84 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.864 1.266 . . . . 99.99 111.98 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 340' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -85.35 -59.11 2.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.808 -0.812 . . . . 99.99 108.808 173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 341' ' ' LEU . . . . . . . . . . . . . 58.7 tp -147.98 152.02 36.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.194 0.998 . . . . 99.99 109.229 -174.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -69.08 -58.68 3.75 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.123 0.487 . . . . 99.99 111.067 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 343' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.24 142.7 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.806 0.842 . . . . 99.99 108.891 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 344' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.56 115.5 21.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.119 0.568 . . . . 99.99 109.678 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 345' ' ' GLY . . . . . . . . . . . . . . . -81.21 67.6 3.59 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.824 0.703 . . . . 99.99 111.783 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 346' ' ' ALA . . . . . . . . . . . . . . . -105.64 -27.23 11.46 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.946 0.898 . . . . 99.99 111.171 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 347' ' ' SER . . . . . . . . . . . . . 47.7 t -88.93 -2.1 58.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.919 0.888 . . . . 99.99 111.425 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 348' ' ' ILE . . . . . . . . . . . . . 12.6 tt -75.93 142.62 14.2 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 N-CA-C 109.277 -0.638 . . . . 99.99 109.277 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 349' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.35 148.79 49.19 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.131 0.573 . . . . 99.99 110.687 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 350' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.24 159.1 18.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.05 0.94 . . . . 99.99 109.751 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -48.2 104.08 0.05 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.063 0.945 . . . . 99.99 110.116 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.62 112.44 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.741 1.276 . . . . 99.99 110.832 -165.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 353' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.18 -64.77 0.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 354' ' ' ALA . . . . . . . . . . . . . . . 177.85 75.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.992 0.917 . . . . 99.99 109.837 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 355' ' ' ALA . . . . . . . . . . . . . . . -164.63 -67.78 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 111.792 0.293 . . . . 99.99 111.792 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 356' ' ' ASN . . . . . 0.578 HD22 ' HA ' ' E' ' 361' ' ' ILE . 59.1 t30 62.01 82.14 0.22 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.891 1.276 . . . . 99.99 108.968 -165.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 357' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.43 88.35 0.33 Allowed 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.589 2.193 . . . . 99.99 111.57 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 358' ' ' CYS . . . . . . . . . . . . . 49.0 m 66.7 160.42 0.15 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.972 1.309 . . . . 99.99 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 359' ' ' GLY . . . . . . . . . . . . . . . 78.33 97.85 0.23 Allowed Glycine 0 C--N 1.347 1.141 0 CA-C-O 119.853 -0.415 . . . . 99.99 113.102 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 360' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 57.8 56.19 4.96 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.813 1.245 . . . . 99.99 110.735 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 361' ' ' ILE . . . . . 0.578 ' HA ' HD22 ' E' ' 356' ' ' ASN . 34.2 pt -79.14 -12.45 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 115.626 -0.715 . . . . 99.99 111.311 177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 362' ' ' GLY . . . . . . . . . . . . . . . 166.64 -71.49 0.17 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 109.403 -1.479 . . . . 99.99 109.403 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 363' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 60.74 68.82 0.72 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.669 1.188 . . . . 99.99 111.57 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 364' ' ' THR . . . . . . . . . . . . . 72.9 p 55.69 80.98 0.13 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.973 1.709 . . . . 99.99 112.488 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 365' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.75 104.51 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.749 0.82 . . . . 99.99 109.353 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 366' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -114.11 100.49 8.43 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.607 -0.724 . . . . 99.99 111.462 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 367' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.22 -23.54 64.82 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.907 0.883 . . . . 99.99 109.205 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 368' ' ' ASP . . . . . 0.495 ' O ' HG22 ' E' ' 371' ' ' VAL . 31.7 t70 -53.21 -49.34 66.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.696 1.599 . . . . 99.99 112.636 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 369' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.47 -29.02 65.46 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.691 0.397 . . . . 99.99 111.291 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 370' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.81 68.65 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.344 0.658 . . . . 99.99 112.323 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 371' ' ' VAL . . . . . 0.495 HG22 ' O ' ' E' ' 368' ' ' ASP . 6.0 m -76.29 -20.62 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.851 0.46 . . . . 99.99 111.873 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 372' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.91 -29.39 55.92 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.065 0.946 . . . . 99.99 112.158 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 373' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -49.57 -46.45 48.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.234 1.014 . . . . 99.99 111.606 175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 374' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.55 94.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.41 0.684 . . . . 99.99 111.271 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 375' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.41 -18.34 55.13 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.794 -0.639 . . . . 99.99 111.371 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 376' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.1 -29.73 55.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.037 0.935 . . . . 99.99 110.07 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' E' ' 381' ' ' GLU . 29.9 m-85 -65.73 -58.41 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 169.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 378' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.54 56.66 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.796 -1.093 . . . . 99.99 112.9 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 379' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -64.45 -35.34 80.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.274 1.03 . . . . 99.99 110.908 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 380' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -159.44 83.3 0.76 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.533 0.682 . . . . 99.99 111.833 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 381' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' E' ' 377' ' ' PHE . 27.7 mm-40 -106.42 113.07 26.36 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.929 0.892 . . . . 99.99 108.877 167.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 382' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.92 4.25 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 119.983 -0.343 . . . . 99.99 113.602 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 383' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.76 20.3 12.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.974 1.31 . . . . 99.99 111.835 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 384' ' ' THR . . . . . . . . . . . . . 42.2 p -75.32 -53.2 9.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.169 0.987 . . . . 99.99 110.228 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 385' ' ' LEU . . . . . . . . . . . . . 56.1 tp -170.57 148.62 3.09 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.591 1.156 . . . . 99.99 108.58 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 386' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.98 103.47 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 121.814 0.816 . . . . 99.99 110.277 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 387' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.21 115.53 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 106.907 -1.516 . . . . 99.99 106.907 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 388' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.99 130.67 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 108.655 -0.869 . . . . 99.99 108.655 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 389' ' ' THR . . . . . . . . . . . . . 63.8 m -141.65 107.84 5.23 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.6 -0.889 . . . . 99.99 108.6 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 390' ' ' ALA . . . . . . . . . . . . . . . -113.64 92.43 3.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.47 0.708 . . . . 99.99 109.52 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 391' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.54 125.38 7.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.839 -1.171 . . . . 99.99 107.839 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 392' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -67.86 125.72 27.16 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 123.306 0.379 . . . . 99.99 110.231 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 393' ' ' ALA . . . . . . . . . . . . . . . -71.8 87.3 0.98 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 99.99 109.193 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 394' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -75.15 -40.46 59.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.822 -1.081 . . . . 99.99 110.541 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . 59.5 -84.42 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.177 1.391 . . . . 99.99 111.827 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 396' ' ' SER . . . . . . . . . . . . . 71.1 m -141.2 50.53 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.675 1.19 . . . . 99.99 108.471 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 397' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 61.26 85.56 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.093 -1.412 . . . . 99.99 110.509 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 398' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.62 153.25 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 113.077 0.769 . . . . 99.99 113.077 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 399' ' ' VAL . . . . . . . . . . . . . 25.5 t 50.54 74.1 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 124.585 1.154 . . . . 99.99 111.106 -171.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 400' ' ' ALA . . . . . 0.46 ' HB3' ' HD3' ' E' ' 401' ' ' PRO . . . -177.37 -55.37 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 125.005 1.322 . . . . 99.99 110.396 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 401' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' E' ' 400' ' ' ALA . 59.2 Cg_endo -92.47 160.72 2.98 Favored 'Trans proline' 0 C--N 1.394 2.962 0 C-N-CA 122.357 2.038 . . . . 99.99 112.78 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 402' ' ' ASP . . . . . . . . . . . . . 23.7 t70 63.14 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.599 1.16 . . . . 99.99 111.416 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 403' ' ' THR . . . . . . . . . . . . . 8.7 m 65.3 107.61 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.793 1.237 . . . . 99.99 112.353 173.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 404' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -73.39 114.07 11.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.208 -0.664 . . . . 99.99 109.208 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 405' ' ' ALA . . . . . . . . . . . . . . . -70.46 -46.25 19.06 Favored Pre-proline 0 CA--C 1.558 1.262 0 CA-C-O 118.535 -0.745 . . . . 99.99 112.264 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 406' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.6 145.41 52.23 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 121.326 1.351 . . . . 99.99 112.678 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 407' ' ' GLY . . . . . . . . . . . . . . . -64.81 125.23 30.22 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.797 -0.921 . . . . 99.99 110.797 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 408' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' E' ' 409' ' ' THR 0.271 0.5 OUTLIER 44.61 -79.28 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 126.135 1.774 . . . . 99.99 112.106 -163.342 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' E' E ' 409' ' ' THR . . . . . 0.452 ' H ' ' HG ' ' E' ' 408' ' ' LEU . 5.1 t -125.04 -32.3 3.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.444 0.698 . . . . 99.99 110.715 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 410' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -174.27 -33.43 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.888 1.275 . . . . 99.99 110.317 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 411' ' ' ALA . . . . . . . . . . . . . . . 71.23 158.57 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.908 1.283 . . . . 99.99 111.908 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 412' ' ' LEU . . . . . . . . . . . . . 55.1 tp -68.0 96.67 0.62 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.584 0.354 . . . . 99.99 110.092 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 413' ' ' ASN . . . . . 0.42 ' HB2' ' HD3' ' E' ' 415' ' ' LYS . 26.3 m-80 65.48 16.87 10.73 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.932 1.293 . . . . 99.99 111.431 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 414' ' ' THR . . . . . . . . . . . . . 18.2 m 72.51 3.67 4.75 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.619 1.567 . . . . 99.99 111.927 -173.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 415' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' E' ' 413' ' ' ASN . 4.0 mptp? -81.21 -174.32 4.82 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.356 -0.84 . . . . 99.99 110.201 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 416' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -54.05 -41.74 68.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.104 0.962 . . . . 99.99 110.87 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.17 -79.19 0.41 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 114.91 -1.041 . . . . 99.99 111.541 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.45 12.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.661 1.184 . . . . 99.99 111.899 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 419' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.08 73.08 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-O 123.319 1.533 . . . . 99.99 109.44 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 420' ' ' MET . . . . . . . . . . . . . 94.5 mmm -99.75 101.63 12.84 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 113.671 -1.604 . . . . 99.99 107.721 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 421' ' ' VAL . . . . . . . . . . . . . 84.3 t 76.49 -22.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.599 0 C-N-CA 124.77 1.228 . . . . 99.99 111.426 -173.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 422' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.88 143.95 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.495 1.518 . . . . 99.99 111.56 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 423' ' ' SER . . . . . . . . . . . . . 54.6 m -144.55 169.31 18.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.149 0.98 . . . . 99.99 109.385 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 424' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -71.95 -21.2 61.63 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.374 0.67 . . . . 99.99 110.049 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 425' ' ' GLY . . . . . . . . . . . . . . . 107.67 -124.37 7.54 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 110.491 -1.043 . . . . 99.99 110.491 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 426' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.95 88.26 7.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.027 -1.101 . . . . 99.99 108.027 170.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 427' ' ' SER . . . . . . . . . . . . . 2.1 p -101.17 39.11 1.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.73 1.212 . . . . 99.99 109.974 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 428' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 65.41 -104.3 0.1 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 114.343 -1.299 . . . . 99.99 112.429 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 429' ' ' GLU . . . . . 0.552 ' H ' ' HB3' ' E' ' 433' ' ' GLU . 41.0 tt0 -81.78 -75.67 0.28 Allowed 'General case' 0 C--N 1.369 1.429 0 CA-C-N 119.725 1.148 . . . . 99.99 109.55 -173.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -109.56 -78.17 0.59 Allowed 'General case' 0 C--N 1.365 1.271 0 CA-C-N 119.119 0.872 . . . . 99.99 111.641 159.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 431' ' ' SER . . . . . . . . . . . . . 37.2 t -106.11 -65.02 1.1 Allowed 'General case' 0 C--N 1.361 1.065 0 N-CA-C 113.622 0.971 . . . . 99.99 113.622 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 432' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.05 -17.88 26.97 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.789 -1.096 . . . . 99.99 113.831 -155.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 433' ' ' GLU . . . . . 0.552 ' HB3' ' H ' ' E' ' 429' ' ' GLU . 12.9 tp10 -55.86 144.4 28.08 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.789 0.681 . . . . 99.99 110.993 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 434' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -112.45 133.83 54.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.229 1.012 . . . . 99.99 109.991 -170.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 435' ' ' THR . . . . . . . . . . . . . 31.7 m -65.44 -46.69 78.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.658 0.783 . . . . 99.99 110.981 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 436' ' ' GLY . . . . . . . . . . . . . . . 144.4 146.79 4.55 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 115.483 -0.781 . . . . 99.99 112.069 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 437' ' ' SER . . . . . . . . . . . . . 62.9 m -150.68 129.28 12.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.231 1.012 . . . . 99.99 109.075 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 438' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' E' ' 443' ' ' ALA . 26.2 tt0 -66.5 141.24 57.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.92 -0.77 . . . . 99.99 108.92 170.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 439' ' ' LEU . . . . . 0.589 ' HG ' ' H ' ' E' ' 440' ' ' ARG . 14.2 tp 66.31 -161.36 0.25 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.03 0.932 . . . . 99.99 108.55 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 440' ' ' ARG . . . . . 0.589 ' H ' ' HG ' ' E' ' 439' ' ' LEU . 78.4 mtp180 64.95 23.21 12.56 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.9 0.88 . . . . 99.99 112.233 170.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 441' ' ' ILE . . . . . . . . . . . . . 1.8 mp 76.57 -36.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 125.848 1.659 . . . . 99.99 111.461 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 442' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.5 54.11 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.585 1.154 . . . . 99.99 111.735 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 443' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' E' ' 438' ' ' GLN . . . -135.92 73.45 1.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.272 -1.01 . . . . 99.99 108.272 168.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 444' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.31 -48.56 41.15 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.128 -0.942 . . . . 99.99 110.091 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 445' ' ' GLY . . . . . . . . . . . . . . . 151.34 -177.85 29.05 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.104 -0.953 . . . . 99.99 111.85 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 446' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 160.36 47.94 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 122.989 2.459 . . . . 99.99 111.908 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 447' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.77 -45.0 96.03 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.58 -0.526 . . . . 99.99 109.58 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 448' ' ' ALA . . . . . . . . . . . . . . . 69.07 177.5 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 0 O-C-N 124.637 1.211 . . . . 99.99 113.466 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 449' ' ' ALA . . . . . 0.575 ' H ' ' HB3' ' A' ' 53' ' ' ASP . . . -170.94 -169.57 0.78 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.169 1.387 . . . . 99.99 109.234 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 450' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -137.72 136.66 37.57 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.419 0.688 . . . . 99.99 109.96 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 451' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.59 -12.83 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.027 0.931 . . . . 99.99 110.116 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 452' ' ' VAL . . . . . 0.447 HG11 ' CD1' ' A' ' 56' ' ' TYR . 13.2 p -95.59 151.41 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 123.798 0.839 . . . . 99.99 111.002 -172.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 453' ' ' GLY . . . . . . . . . . . . . . . -154.21 152.43 24.01 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.53 -1.428 . . . . 99.99 109.53 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 454' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.8 77.53 7.66 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.526 0.679 . . . . 99.99 112.617 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 455' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 95' ' ' ALA . 23.8 p -85.48 87.38 7.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.885 -1.524 . . . . 99.99 106.885 163.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 171.1 15.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.202 0.525 . . . . 99.99 110.781 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 457' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -141.2 42.26 1.78 Allowed 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 106.969 -1.493 . . . . 99.99 106.969 172.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 458' ' ' THR . . . . . . . . . . . . . 28.7 m -60.37 107.07 0.61 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 114.557 -1.201 . . . . 99.99 110.989 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 459' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -178.0 -62.46 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.044 -1.465 . . . . 99.99 107.044 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 460' ' ' LEU . . . . . 0.451 HD22 HD22 ' A' ' 44' ' ' LEU . 16.7 tp 53.99 75.68 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 113.703 -1.589 . . . . 99.99 110.449 -173.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 461' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -22.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.62 2.368 . . . . 99.99 116.382 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 462' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -106.35 -34.03 7.57 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.542 1.064 . . . . 99.99 112.628 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 463' ' ' THR . . . . . . . . . . . . . 22.8 p 40.15 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.431 1.092 . . . . 99.99 111.865 -164.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 464' ' ' MET . . . . . 0.598 ' SD ' ' HB3' ' A' ' 128' ' ' LEU . 43.8 ttm 179.31 112.1 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 99.99 108.719 171.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 465' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.09 92.89 4.57 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.271 -0.641 . . . . 99.99 109.271 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 466' ' ' ALA . . . . . . . . . . . . . . . -146.68 150.08 34.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.173 0.989 . . . . 99.99 109.549 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 467' ' ' ALA . . . . . . . . . . . . . . . -137.56 156.64 47.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.022 0.929 . . . . 99.99 109.643 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 468' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 40' ' ' VAL . 1.1 pt? -152.5 129.93 11.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.849 0.86 . . . . 99.99 109.268 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.49 -4.63 70.36 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.533 -0.758 . . . . 99.99 113.446 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 470' ' ' LEU . . . . . 0.431 HD23 HD12 ' E' ' 468' ' ' LEU . 91.4 mt 70.51 143.51 0.05 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.457 1.503 . . . . 99.99 111.839 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 471' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 118.86 -0.591 . . . . 99.99 109.552 -179.394 . . . . . . . . 0 0 . 1 stop_ save_